rfd4-proteina Model by IPD

Follow the steps below to download and run the NVIDIA NIM inference microservice for this model on your infrastructure of choice.

Step 1
Generate API Key

Step 2
Start NIM

Export the NGC_API_KEY variable.

Bash

export NGC_API_KEY=<your personal NGC key>

Bash

$ docker login nvcr.io
Username: $oauthtoken
Password: <PASTE_API_KEY_HERE>

The NIM container automatically downloads any required models. To save time and bandwidth it is recommended to provide a local cache directory. This way the NIM will be able to reuse any already downloaded models. Execute the following command to setup the cache directory:

Bash

export LOCAL_NIM_CACHE=~/.cache/nim
mkdir -p $LOCAL_NIM_CACHE
chmod -R 777 $LOCAL_NIM_CACHE

Run the NIM container.

Bash

docker run -it \
    --runtime=nvidia \
    --gpus='"device=0"' \
    -p 8000:8000 \
    -e NGC_API_KEY \
    -v "$LOCAL_NIM_CACHE":/opt/nim/.cache \
    nvcr.io/nim/ipd/rfd4-proteina:latest

Open a new terminal, leaving the first one running. Wait until the health check returns true before proceeding; this may take a few minutes while the checkpoints load.

Bash

curl http://localhost:8000/v1/health/ready

Ask the service which tasks this deployment serves.

Bash

curl http://localhost:8000/v1/tasks

Step 3
Test the NIM

The example below designs a protein binder against PD-1: the target's coordinates and sequence are held and its epitope marked as hotspots, and everything else is generated.

A design starts from an input structure attached in the request body as a named file. Two dialects say what to do with it: annotated_cif carries the conditioning inside the file, and condition_spec states it as selections beside the file. This request uses the first, which is why the request is a structure and three lines of options.

Save the following as request.json.

JSON

{
  "task": "generation",
  "input": {
    "format": "annotated_cif",
    "example_id": "ppi_pd1_binder",
    "file": {
      "filename": "ppi_pd1_binder.cif",
      "content": "data_01_PD1.cif\n#\n_entry.id       01_PD1.cif\n_entry.author   rib7\n_entry.date     2026-08-27\n_entry.time     23:24:51\n#\nloop_\n_entity.id \n_entity.type \n_entity.pdbx_description \n0 polymer .\n1 polymer .\n#\nloop_\n_entity_poly.entity_id \n_entity_poly.type \n_entity_poly.nstd_linkage \n_entity_poly.nstd_monomer \n_entity_poly.pdbx_seq_one_letter_code \n_entity_poly.pdbx_seq_one_letter_code_can \n_entity_poly.pdbx_strand_id \n_entity_poly.pdbx_target_identifier \n0 polypeptide(L) no no  \n;WNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVV\nRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTE\n;\n \n;WNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVV\nRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTE\n;\n B ?\n1 polypeptide(L) no yes X                                                                                                                         X                                                                                                                         A ?\n#\nloop_\n_entity_poly_seq.entity_id \n_entity_poly_seq.hetero \n_entity_poly_seq.mon_id \n_entity_poly_seq.num \n0 n TRP    1\n0 n ASN    2\n0 n PRO    3\n0 n PRO    4\n0 n THR    5\n0 n PHE    6\n0 n SER    7\n0 n PRO    8\n0 n ALA    9\n0 n LEU    10\n0 n LEU    11\n0 n VAL    12\n0 n VAL    13\n0 n THR    14\n0 n GLU    15\n0 n GLY    16\n0 n ASP    17\n0 n ASN    18\n0 n ALA    19\n0 n THR    20\n0 n PHE    21\n0 n THR    22\n0 n CYS    23\n0 n SER    24\n0 n PHE    25\n0 n SER    26\n0 n ASN    27\n0 n THR    28\n0 n SER    29\n0 n GLU    30\n0 n SER    31\n0 n PHE    32\n0 n VAL    33\n0 n LEU    34\n0 n ASN    35\n0 n TRP    36\n0 n TYR    37\n0 n ARG    38\n0 n MET    39\n0 n SER    40\n0 n PRO    41\n0 n SER    42\n0 n ASN    43\n0 n GLN    44\n0 n THR    45\n0 n ASP    46\n0 n LYS    47\n0 n LEU    48\n0 n ALA    49\n0 n ALA    50\n0 n PHE    51\n0 n PRO    52\n0 n GLU    53\n0 n ASP    54\n0 n ARG    55\n0 n SER    56\n0 n GLN    57\n0 n PRO    58\n0 n GLY    59\n0 n GLN    60\n0 n ASP    61\n0 n CYS    62\n0 n ARG    63\n0 n PHE    64\n0 n ARG    65\n0 n VAL    66\n0 n THR    67\n0 n GLN    68\n0 n LEU    69\n0 n PRO    70\n0 n ASN    71\n0 n GLY    72\n0 n ARG    73\n0 n ASP    74\n0 n PHE    75\n0 n HIS    76\n0 n MET    77\n0 n SER    78\n0 n VAL    79\n0 n VAL    80\n0 n ARG    81\n0 n ALA    82\n0 n ARG    83\n0 n ARG    84\n0 n ASN    85\n0 n ASP    86\n0 n SER    87\n0 n GLY    88\n0 n THR    89\n0 n TYR    90\n0 n LEU    91\n0 n CYS    92\n0 n GLY    93\n0 n ALA    94\n0 n ILE    95\n0 n SER    96\n0 n LEU    97\n0 n ALA    98\n0 n PRO    99\n0 n LYS    100\n0 n ALA    101\n0 n GLN    102\n0 n ILE    103\n0 n LYS    104\n0 n GLU    105\n0 n SER    106\n0 n LEU    107\n0 n ARG    108\n0 n ALA    109\n0 n GLU    110\n0 n LEU    111\n0 n ARG    112\n0 n VAL    113\n0 n THR    114\n0 n GLU    115\n1 n 80-150 1\n#\nloop_\n_chem_comp.id \n_chem_comp.name \n_chem_comp.type \n_chem_comp.formula \n_chem_comp.mon_nstd_parent_comp_id \n_chem_comp.pdbx_synonyms \n_chem_comp.formula_weight \n80-150 80-150 NON-POLYMER         ? ? ? ?\nALA    ALA    'L-PEPTIDE LINKING' ? ? ? ?\nARG    ARG    'L-PEPTIDE LINKING' ? ? ? ?\nASN    ASN    'L-PEPTIDE LINKING' ? ? ? ?\nASP    ASP    'L-PEPTIDE LINKING' ? ? ? ?\nCYS    CYS    'L-PEPTIDE LINKING' ? ? ? ?\nGLN    GLN    'L-PEPTIDE LINKING' ? ? ? ?\nGLU    GLU    'L-PEPTIDE LINKING' ? ? ? ?\nGLY    GLY    'PEPTIDE LINKING'   ? ? ? ?\nHIS    HIS    'L-PEPTIDE LINKING' ? ? ? ?\nILE    ILE    'L-PEPTIDE LINKING' ? ? ? ?\nLEU    LEU    'L-PEPTIDE LINKING' ? ? ? ?\nLYS    LYS    'L-PEPTIDE LINKING' ? ? ? ?\nMET    MET    'L-PEPTIDE LINKING' ? ? ? ?\nPHE    PHE    'L-PEPTIDE LINKING' ? ? ? ?\nPRO    PRO    'L-PEPTIDE LINKING' ? ? ? ?\nSER    SER    'L-PEPTIDE LINKING' ? ? ? ?\nTHR    THR    'L-PEPTIDE LINKING' ? ? ? ?\nTRP    TRP    'L-PEPTIDE LINKING' ? ? ? ?\nTYR    TYR    'L-PEPTIDE LINKING' ? ? ? ?\nVAL    VAL    'L-PEPTIDE LINKING' ? ? ? ?\n#\nloop_\n_chem_comp_bond.comp_id \n_chem_comp_bond.atom_id_1 \n_chem_comp_bond.atom_id_2 \n_chem_comp_bond.value_order \n_chem_comp_bond.pdbx_aromatic_flag \nALA N   CA   SING N\nALA N   H    SING N\nALA N   H2   SING N\nALA CA  C    SING N\nALA CA  CB   SING N\nALA CA  HA   SING N\nALA C   O    DOUB N\nALA C   OXT  SING N\nALA CB  HB1  SING N\nALA CB  HB2  SING N\nALA CB  HB3  SING N\nALA OXT HXT  SING N\nARG N   CA   SING N\nARG N   H    SING N\nARG N   H2   SING N\nARG CA  C    SING N\nARG CA  CB   SING N\nARG CA  HA   SING N\nARG C   O    DOUB N\nARG C   OXT  SING N\nARG CB  CG   SING N\nARG CB  HB2  SING N\nARG CB  HB3  SING N\nARG CG  CD   SING N\nARG CG  HG2  SING N\nARG CG  HG3  SING N\nARG CD  NE   SING N\nARG CD  HD2  SING N\nARG CD  HD3  SING N\nARG NE  CZ   SING N\nARG NE  HE   SING N\nARG CZ  NH1  SING N\nARG CZ  NH2  DOUB N\nARG NH1 HH11 SING N\nARG NH1 HH12 SING N\nARG NH2 HH21 SING N\nARG NH2 HH22 SING N\nARG OXT HXT  SING N\nASN N   CA   SING N\nASN N   H    SING N\nASN N   H2   SING N\nASN CA  C    SING N\nASN CA  CB   SING N\nASN CA  HA   SING N\nASN C   O    DOUB N\nASN C   OXT  SING N\nASN CB  CG   SING N\nASN CB  HB2  SING N\nASN CB  HB3  SING N\nASN CG  OD1  DOUB N\nASN CG  ND2  SING N\nASN ND2 HD21 SING N\nASN ND2 HD22 SING N\nASN OXT HXT  SING N\nASP N   CA   SING N\nASP N   H    SING N\nASP N   H2   SING N\nASP CA  C    SING N\nASP CA  CB   SING N\nASP CA  HA   SING N\nASP C   O    DOUB N\nASP C   OXT  SING N\nASP CB  CG   SING N\nASP CB  HB2  SING N\nASP CB  HB3  SING N\nASP CG  OD1  DOUB N\nASP CG  OD2  SING N\nASP OD2 HD2  SING N\nASP OXT HXT  SING N\nCYS N   CA   SING N\nCYS N   H    SING N\nCYS N   H2   SING N\nCYS CA  C    SING N\nCYS CA  CB   SING N\nCYS CA  HA   SING N\nCYS C   O    DOUB N\nCYS C   OXT  SING N\nCYS CB  SG   SING N\nCYS CB  HB2  SING N\nCYS CB  HB3  SING N\nCYS SG  HG   SING N\nCYS OXT HXT  SING N\nGLN N   CA   SING N\nGLN N   H    SING N\nGLN N   H2   SING N\nGLN CA  C    SING N\nGLN CA  CB   SING N\nGLN CA  HA   SING N\nGLN C   O    DOUB N\nGLN C   OXT  SING N\nGLN CB  CG   SING N\nGLN CB  HB2  SING N\nGLN CB  HB3  SING N\nGLN CG  CD   SING N\nGLN CG  HG2  SING N\nGLN CG  HG3  SING N\nGLN CD  OE1  DOUB N\nGLN CD  NE2  SING N\nGLN NE2 HE21 SING N\nGLN NE2 HE22 SING N\nGLN OXT HXT  SING N\nGLU N   CA   SING N\nGLU N   H    SING N\nGLU N   H2   SING N\nGLU CA  C    SING N\nGLU CA  CB   SING N\nGLU CA  HA   SING N\nGLU C   O    DOUB N\nGLU C   OXT  SING N\nGLU CB  CG   SING N\nGLU CB  HB2  SING N\nGLU CB  HB3  SING N\nGLU CG  CD   SING N\nGLU CG  HG2  SING N\nGLU CG  HG3  SING N\nGLU CD  OE1  DOUB N\nGLU CD  OE2  SING N\nGLU OE2 HE2  SING N\nGLU OXT HXT  SING N\nGLY N   CA   SING N\nGLY N   H    SING N\nGLY N   H2   SING N\nGLY CA  C    SING N\nGLY CA  HA2  SING N\nGLY CA  HA3  SING N\nGLY C   O    DOUB N\nGLY C   OXT  SING N\nGLY OXT HXT  SING N\nHIS N   CA   SING N\nHIS N   H    SING N\nHIS N   H2   SING N\nHIS CA  C    SING N\nHIS CA  CB   SING N\nHIS CA  HA   SING N\nHIS C   O    DOUB N\nHIS C   OXT  SING N\nHIS CB  CG   SING N\nHIS CB  HB2  SING N\nHIS CB  HB3  SING N\nHIS CG  ND1  SING Y\nHIS CG  CD2  DOUB Y\nHIS ND1 CE1  DOUB Y\nHIS ND1 HD1  SING N\nHIS CD2 NE2  SING Y\nHIS CD2 HD2  SING N\nHIS CE1 NE2  SING Y\nHIS CE1 HE1  SING N\nHIS NE2 HE2  SING N\nHIS OXT HXT  SING N\nILE N   CA   SING N\nILE N   H    SING N\nILE N   H2   SING N\nILE CA  C    SING N\nILE CA  CB   SING N\nILE CA  HA   SING N\nILE C   O    DOUB N\nILE C   OXT  SING N\nILE CB  CG1  SING N\nILE CB  CG2  SING N\nILE CB  HB   SING N\nILE CG1 CD1  SING N\nILE CG1 HG12 SING N\nILE CG1 HG13 SING N\nILE CG2 HG21 SING N\nILE CG2 HG22 SING N\nILE CG2 HG23 SING N\nILE CD1 HD11 SING N\nILE CD1 HD12 SING N\nILE CD1 HD13 SING N\nILE OXT HXT  SING N\nLEU N   CA   SING N\nLEU N   H    SING N\nLEU N   H2   SING N\nLEU CA  C    SING N\nLEU CA  CB   SING N\nLEU CA  HA   SING N\nLEU C   O    DOUB N\nLEU C   OXT  SING N\nLEU CB  CG   SING N\nLEU CB  HB2  SING N\nLEU CB  HB3  SING N\nLEU CG  CD1  SING N\nLEU CG  CD2  SING N\nLEU CG  HG   SING N\nLEU CD1 HD11 SING N\nLEU CD1 HD12 SING N\nLEU CD1 HD13 SING N\nLEU CD2 HD21 SING N\nLEU CD2 HD22 SING N\nLEU CD2 HD23 SING N\nLEU OXT HXT  SING N\nLYS N   CA   SING N\nLYS N   H    SING N\nLYS N   H2   SING N\nLYS CA  C    SING N\nLYS CA  CB   SING N\nLYS CA  HA   SING N\nLYS C   O    DOUB N\nLYS C   OXT  SING N\nLYS CB  CG   SING N\nLYS CB  HB2  SING N\nLYS CB  HB3  SING N\nLYS CG  CD   SING N\nLYS CG  HG2  SING N\nLYS CG  HG3  SING N\nLYS CD  CE   SING N\nLYS CD  HD2  SING N\nLYS CD  HD3  SING N\nLYS CE  NZ   SING N\nLYS CE  HE2  SING N\nLYS CE  HE3  SING N\nLYS NZ  HZ1  SING N\nLYS NZ  HZ2  SING N\nLYS NZ  HZ3  SING N\nLYS OXT HXT  SING N\nMET N   CA   SING N\nMET N   H    SING N\nMET N   H2   SING N\nMET CA  C    SING N\nMET CA  CB   SING N\nMET CA  HA   SING N\nMET C   O    DOUB N\nMET C   OXT  SING N\nMET CB  CG   SING N\nMET CB  HB2  SING N\nMET CB  HB3  SING N\nMET CG  SD   SING N\nMET CG  HG2  SING N\nMET CG  HG3  SING N\nMET SD  CE   SING N\nMET CE  HE1  SING N\nMET CE  HE2  SING N\nMET CE  HE3  SING N\nMET OXT HXT  SING N\nPHE N   CA   SING N\nPHE N   H    SING N\nPHE N   H2   SING N\nPHE CA  C    SING N\nPHE CA  CB   SING N\nPHE CA  HA   SING N\nPHE C   O    DOUB N\nPHE C   OXT  SING N\nPHE CB  CG   SING N\nPHE CB  HB2  SING N\nPHE CB  HB3  SING N\nPHE CG  CD1  DOUB Y\nPHE CG  CD2  SING Y\nPHE CD1 CE1  SING Y\nPHE CD1 HD1  SING N\nPHE CD2 CE2  DOUB Y\nPHE CD2 HD2  SING N\nPHE CE1 CZ   DOUB Y\nPHE CE1 HE1  SING N\nPHE CE2 CZ   SING Y\nPHE CE2 HE2  SING N\nPHE CZ  HZ   SING N\nPHE OXT HXT  SING N\nPRO N   CA   SING N\nPRO N   CD   SING N\nPRO N   H    SING N\nPRO CA  C    SING N\nPRO CA  CB   SING N\nPRO CA  HA   SING N\nPRO C   O    DOUB N\nPRO C   OXT  SING N\nPRO CB  CG   SING N\nPRO CB  HB2  SING N\nPRO CB  HB3  SING N\nPRO CG  CD   SING N\nPRO CG  HG2  SING N\nPRO CG  HG3  SING N\nPRO CD  HD2  SING N\nPRO CD  HD3  SING N\nPRO OXT HXT  SING N\nSER N   CA   SING N\nSER N   H    SING N\nSER N   H2   SING N\nSER CA  C    SING N\nSER CA  CB   SING N\nSER CA  HA   SING N\nSER C   O    DOUB N\nSER C   OXT  SING N\nSER CB  OG   SING N\nSER CB  HB2  SING N\nSER CB  HB3  SING N\nSER OG  HG   SING N\nSER OXT HXT  SING N\nTHR N   CA   SING N\nTHR N   H    SING N\nTHR N   H2   SING N\nTHR CA  C    SING N\nTHR CA  CB   SING N\nTHR CA  HA   SING N\nTHR C   O    DOUB N\nTHR C   OXT  SING N\nTHR CB  OG1  SING N\nTHR CB  CG2  SING N\nTHR CB  HB   SING N\nTHR OG1 HG1  SING N\nTHR CG2 HG21 SING N\nTHR CG2 HG22 SING N\nTHR CG2 HG23 SING N\nTHR OXT HXT  SING N\nTRP N   CA   SING N\nTRP N   H    SING N\nTRP N   H2   SING N\nTRP CA  C    SING N\nTRP CA  CB   SING N\nTRP CA  HA   SING N\nTRP C   O    DOUB N\nTRP C   OXT  SING N\nTRP CB  CG   SING N\nTRP CB  HB2  SING N\nTRP CB  HB3  SING N\nTRP CG  CD1  DOUB Y\nTRP CG  CD2  SING Y\nTRP CD1 NE1  SING Y\nTRP CD1 HD1  SING N\nTRP CD2 CE2  DOUB Y\nTRP CD2 CE3  SING Y\nTRP NE1 CE2  SING Y\nTRP NE1 HE1  SING N\nTRP CE2 CZ2  SING Y\nTRP CE3 CZ3  DOUB Y\nTRP CE3 HE3  SING N\nTRP CZ2 CH2  DOUB Y\nTRP CZ2 HZ2  SING N\nTRP CZ3 CH2  SING Y\nTRP CZ3 HZ3  SING N\nTRP CH2 HH2  SING N\nTRP OXT HXT  SING N\nTYR N   CA   SING N\nTYR N   H    SING N\nTYR N   H2   SING N\nTYR CA  C    SING N\nTYR CA  CB   SING N\nTYR CA  HA   SING N\nTYR C   O    DOUB N\nTYR C   OXT  SING N\nTYR CB  CG   SING N\nTYR CB  HB2  SING N\nTYR CB  HB3  SING N\nTYR CG  CD1  DOUB Y\nTYR CG  CD2  SING Y\nTYR CD1 CE1  SING Y\nTYR CD1 HD1  SING N\nTYR CD2 CE2  DOUB Y\nTYR CD2 HD2  SING N\nTYR CE1 CZ   DOUB Y\nTYR CE1 HE1  SING N\nTYR CE2 CZ   SING Y\nTYR CE2 HE2  SING N\nTYR CZ  OH   SING N\nTYR OH  HH   SING N\nTYR OXT HXT  SING N\nVAL N   CA   SING N\nVAL N   H    SING N\nVAL N   H2   SING N\nVAL CA  C    SING N\nVAL CA  CB   SING N\nVAL CA  HA   SING N\nVAL C   O    DOUB N\nVAL C   OXT  SING N\nVAL CB  CG1  SING N\nVAL CB  CG2  SING N\nVAL CB  HB   SING N\nVAL CG1 HG11 SING N\nVAL CG1 HG12 SING N\nVAL CG1 HG13 SING N\nVAL CG2 HG21 SING N\nVAL CG2 HG22 SING N\nVAL CG2 HG23 SING N\nVAL OXT HXT  SING N\n#\nloop_\n_atom_site.group_PDB \n_atom_site.type_symbol \n_atom_site.label_atom_id \n_atom_site.label_alt_id \n_atom_site.label_comp_id \n_atom_site.label_asym_id \n_atom_site.label_entity_id \n_atom_site.label_seq_id \n_atom_site.pdbx_PDB_ins_code \n_atom_site.auth_seq_id \n_atom_site.auth_comp_id \n_atom_site.auth_asym_id \n_atom_site.auth_atom_id \n_atom_site.B_iso_or_equiv \n_atom_site.occupancy \n_atom_site.pdbx_formal_charge \n_atom_site.annotation_expsegmax_1_residue \n_atom_site.mask_index_1_residue \n_atom_site.mask_expsegmax_1_residue \n_atom_site.mask_hotspot_1_atom \n_atom_site.mask_sequence_1_residue \n_atom_site.condition_hbond_1_atom \n_atom_site.condition_index-group_1_token \n_atom_site.annotation_expsegmin_1_residue \n_atom_site.mask_expsegmin_1_residue \n_atom_site.mask_coordinate_1_atom \n_atom_site.annotation_src-component_1_atom \n_atom_site.atom_array_index \n_atom_site.Cartn_x \n_atom_site.Cartn_y \n_atom_site.Cartn_z \n_atom_site.pdbx_PDB_model_num \n_atom_site.id \nHETATM X UNK . 80-150 A 1 1   . 1   80-150 A UNK nan   0.0 ?  150 True True  False False 0 1 80 True  False .    0   nan     nan     nan     1 1\nATOM   N N   . TRP    B 0 1   . 1   TRP    B N   83.75 1.0 ?  -1  True False False True  0 0 -1 False True  A1   1   19.854  -4.28   1.961   1 2\nATOM   C CA  . TRP    B 0 1   . 1   TRP    B CA  83.75 1.0 ?  -1  True False False True  0 0 -1 False True  A1   2   18.661  -3.54   1.564   1 3\nATOM   C C   . TRP    B 0 1   . 1   TRP    B C   83.75 1.0 ?  -1  True False False True  0 0 -1 False True  A1   3   17.543  -3.719  2.587   1 4\nATOM   O O   . TRP    B 0 1   . 1   TRP    B O   83.75 1.0 ?  -1  True False False True  0 0 -1 False True  A1   4   17.081  -4.838  2.82    1 5\nATOM   C CB  . TRP    B 0 1   . 1   TRP    B CB  83.75 1.0 ?  -1  True False False True  0 0 -1 False True  A1   5   18.179  -4.001  0.187   1 6\nATOM   C CG  . TRP    B 0 1   . 1   TRP    B CG  83.75 1.0 ?  -1  True False False True  0 0 -1 False True  A1   6   16.998  -3.231  -0.322  1 7\nATOM   C CD1 . TRP    B 0 1   . 1   TRP    B CD1 83.75 1.0 ?  -1  True False False True  0 0 -1 False True  A1   7   16.639  -1.964  0.028   1 8\nATOM   C CD2 . TRP    B 0 1   . 1   TRP    B CD2 83.75 1.0 ?  -1  True False False True  0 0 -1 False True  A1   8   16.009  -3.678  -1.281  1 9\nATOM   N NE1 . TRP    B 0 1   . 1   TRP    B NE1 83.75 1.0 ?  -1  True False False True  0 0 -1 False True  A1   9   15.5    -1.593  -0.643  1 10\nATOM   C CE2 . TRP    B 0 1   . 1   TRP    B CE2 83.75 1.0 ?  -1  True False False True  0 0 -1 False True  A1   10  15.102  -2.629  -1.45   1 11\nATOM   C CE3 . TRP    B 0 1   . 1   TRP    B CE3 83.75 1.0 ?  -1  True False False True  0 0 -1 False True  A1   11  15.826  -4.866  -2.0    1 12\nATOM   C CZ2 . TRP    B 0 1   . 1   TRP    B CZ2 83.75 1.0 ?  -1  True False False True  0 0 -1 False True  A1   12  14.018  -2.728  -2.309  1 13\nATOM   C CZ3 . TRP    B 0 1   . 1   TRP    B CZ3 83.75 1.0 ?  -1  True False False True  0 0 -1 False True  A1   13  14.74   -4.964  -2.862  1 14\nATOM   C CH2 . TRP    B 0 1   . 1   TRP    B CH2 83.75 1.0 ?  -1  True False False True  0 0 -1 False True  A1   14  13.861  -3.922  -3.012  1 15\nATOM   N N   . ASN    B 0 2   . 2   ASN    B N   90.39 1.0 ?  -1  True False False True  0 0 -1 False True  A2   15  17.233  -2.509  3.377   1 16\nATOM   C CA  . ASN    B 0 2   . 2   ASN    B CA  90.39 1.0 ?  -1  True False False True  0 0 -1 False True  A2   16  16.205  -2.585  4.409   1 17\nATOM   C C   . ASN    B 0 2   . 2   ASN    B C   90.39 1.0 ?  -1  True False False True  0 0 -1 False True  A2   17  14.803  -2.542  3.807   1 18\nATOM   O O   . ASN    B 0 2   . 2   ASN    B O   90.39 1.0 ?  -1  True False False True  0 0 -1 False True  A2   18  14.564  -1.832  2.829   1 19\nATOM   C CB  . ASN    B 0 2   . 2   ASN    B CB  90.39 1.0 ?  -1  True False False True  0 0 -1 False True  A2   19  16.385  -1.468  5.42    1 20\nATOM   C CG  . ASN    B 0 2   . 2   ASN    B CG  90.39 1.0 ?  -1  True False False True  0 0 -1 False True  A2   20  17.647  -1.614  6.224   1 21\nATOM   O OD1 . ASN    B 0 2   . 2   ASN    B OD1 90.39 1.0 ?  -1  True False False True  0 0 -1 False True  A2   21  18.054  -2.73   6.566   1 22\nATOM   N ND2 . ASN    B 0 2   . 2   ASN    B ND2 90.39 1.0 ?  -1  True False False True  0 0 -1 False True  A2   22  18.274  -0.508  6.533   1 23\nATOM   N N   . PRO    B 0 3   . 3   PRO    B N   94.27 1.0 ?  -1  True False False True  0 0 -1 False True  A3   23  13.936  -3.491  4.4     1 24\nATOM   C CA  . PRO    B 0 3   . 3   PRO    B CA  94.27 1.0 ?  -1  True False False True  0 0 -1 False True  A3   24  12.565  -3.436  3.887   1 25\nATOM   C C   . PRO    B 0 3   . 3   PRO    B C   94.27 1.0 ?  -1  True False False True  0 0 -1 False True  A3   25  11.833  -2.16   4.296   1 26\nATOM   O O   . PRO    B 0 3   . 3   PRO    B O   94.27 1.0 ?  -1  True False False True  0 0 -1 False True  A3   26  12.247  -1.482  5.239   1 27\nATOM   C CB  . PRO    B 0 3   . 3   PRO    B CB  94.27 1.0 ?  -1  True False False True  0 0 -1 False True  A3   27  11.906  -4.669  4.51    1 28\nATOM   C CG  . PRO    B 0 3   . 3   PRO    B CG  94.27 1.0 ?  -1  True False False True  0 0 -1 False True  A3   28  12.696  -4.938  5.75    1 29\nATOM   C CD  . PRO    B 0 3   . 3   PRO    B CD  94.27 1.0 ?  -1  True False False True  0 0 -1 False True  A3   29  14.106  -4.468  5.529   1 30\nATOM   N N   . PRO    B 0 4   . 4   PRO    B N   96.77 1.0 ?  -1  True False False True  0 0 -1 False True  A4   30  10.724  -1.741  3.531   1 31\nATOM   C CA  . PRO    B 0 4   . 4   PRO    B CA  96.77 1.0 ?  -1  True False False True  0 0 -1 False True  A4   31  9.956   -0.556  3.921   1 32\nATOM   C C   . PRO    B 0 4   . 4   PRO    B C   96.77 1.0 ?  -1  True False False True  0 0 -1 False True  A4   32  9.163   -0.765  5.21    1 33\nATOM   O O   . PRO    B 0 4   . 4   PRO    B O   96.77 1.0 ?  -1  True False False True  0 0 -1 False True  A4   33  8.916   -1.907  5.609   1 34\nATOM   C CB  . PRO    B 0 4   . 4   PRO    B CB  96.77 1.0 ?  -1  True False False True  0 0 -1 False True  A4   34  9.024   -0.351  2.722   1 35\nATOM   C CG  . PRO    B 0 4   . 4   PRO    B CG  96.77 1.0 ?  -1  True False False True  0 0 -1 False True  A4   35  8.833   -1.723  2.169   1 36\nATOM   C CD  . PRO    B 0 4   . 4   PRO    B CD  96.77 1.0 ?  -1  True False False True  0 0 -1 False True  A4   36  10.175  -2.384  2.336   1 37\nATOM   N N   . THR    B 0 5   . 5   THR    B N   98.07 1.0 ?  -1  True False False True  0 0 -1 False True  A5   37  8.889   0.363   5.914   1 38\nATOM   C CA  . THR    B 0 5   . 5   THR    B CA  98.07 1.0 ?  -1  True False False True  0 0 -1 False True  A5   38  8.081   0.293   7.126   1 39\nATOM   C C   . THR    B 0 5   . 5   THR    B C   98.07 1.0 ?  -1  True False False True  0 0 -1 False True  A5   39  6.642   0.716   6.842   1 40\nATOM   O O   . THR    B 0 5   . 5   THR    B O   98.07 1.0 ?  -1  True False False True  0 0 -1 False True  A5   40  6.406   1.734   6.189   1 41\nATOM   C CB  . THR    B 0 5   . 5   THR    B CB  98.07 1.0 ?  -1  True False False True  0 0 -1 False True  A5   41  8.673   1.175   8.241   1 42\nATOM   O OG1 . THR    B 0 5   . 5   THR    B OG1 98.07 1.0 ?  -1  True False False True  0 0 -1 False True  A5   42  9.977   0.695   8.592   1 43\nATOM   C CG2 . THR    B 0 5   . 5   THR    B CG2 98.07 1.0 ?  -1  True False False True  0 0 -1 False True  A5   43  7.779   1.15    9.472   1 44\nATOM   N N   . PHE    B 0 6   . 6   PHE    B N   98.38 1.0 ?  -1  True False False True  0 0 -1 False True  A6   44  5.696   -0.2    7.33    1 45\nATOM   C CA  . PHE    B 0 6   . 6   PHE    B CA  98.38 1.0 ?  -1  True False False True  0 0 -1 False True  A6   45  4.279   0.035   7.084   1 46\nATOM   C C   . PHE    B 0 6   . 6   PHE    B C   98.38 1.0 ?  -1  True False False True  0 0 -1 False True  A6   46  3.534   0.269   8.394   1 47\nATOM   O O   . PHE    B 0 6   . 6   PHE    B O   98.38 1.0 ?  -1  True False False True  0 0 -1 False True  A6   47  3.443   -0.631  9.232   1 48\nATOM   C CB  . PHE    B 0 6   . 6   PHE    B CB  98.38 1.0 ?  -1  True False False True  0 0 -1 False True  A6   48  3.659   -1.147  6.332   1 49\nATOM   C CG  . PHE    B 0 6   . 6   PHE    B CG  98.38 1.0 ?  -1  True False False True  0 0 -1 False True  A6   49  2.299   -0.855  5.757   1 50\nATOM   C CD1 . PHE    B 0 6   . 6   PHE    B CD1 98.38 1.0 ?  -1  True False False True  0 0 -1 False True  A6   50  1.17    -1.502  6.244   1 51\nATOM   C CD2 . PHE    B 0 6   . 6   PHE    B CD2 98.38 1.0 ?  -1  True False False True  0 0 -1 False True  A6   51  2.15    0.067   4.728   1 52\nATOM   C CE1 . PHE    B 0 6   . 6   PHE    B CE1 98.38 1.0 ?  -1  True False False True  0 0 -1 False True  A6   52  -0.09   -1.233  5.713   1 53\nATOM   C CE2 . PHE    B 0 6   . 6   PHE    B CE2 98.38 1.0 ?  -1  True False False True  0 0 -1 False True  A6   53  0.895   0.34    4.193   1 54\nATOM   C CZ  . PHE    B 0 6   . 6   PHE    B CZ  98.38 1.0 ?  -1  True False False True  0 0 -1 False True  A6   54  -0.224  -0.311  4.687   1 55\nATOM   N N   . SER    B 0 7   . 7   SER    B N   98.17 1.0 ?  -1  True False False True  0 0 -1 False True  A7   55  2.993   1.46    8.657   1 56\nATOM   C CA  . SER    B 0 7   . 7   SER    B CA  98.17 1.0 ?  -1  True False False True  0 0 -1 False True  A7   56  2.401   1.863   9.928   1 57\nATOM   C C   . SER    B 0 7   . 7   SER    B C   98.17 1.0 ?  -1  True False False True  0 0 -1 False True  A7   57  1.106   2.64    9.714   1 58\nATOM   O O   . SER    B 0 7   . 7   SER    B O   98.17 1.0 ?  -1  True False False True  0 0 -1 False True  A7   58  0.945   3.318   8.696   1 59\nATOM   C CB  . SER    B 0 7   . 7   SER    B CB  98.17 1.0 ?  -1  True False False True  0 0 -1 False True  A7   59  3.383   2.707   10.717  1 60\nATOM   O OG  . SER    B 0 7   . 7   SER    B OG  98.17 1.0 ?  -1  True False False True  0 0 -1 False True  A7   60  3.66    3.909   10.051  1 61\nATOM   N N   . PRO    B 0 8   . 8   PRO    B N   98.14 1.0 ?  -1  True False False True  0 0 -1 False True  A8   61  0.339   2.524   10.711  1 62\nATOM   C CA  . PRO    B 0 8   . 8   PRO    B CA  98.14 1.0 ?  -1  True False False True  0 0 -1 False True  A8   62  0.425   1.781   11.971  1 63\nATOM   C C   . PRO    B 0 8   . 8   PRO    B C   98.14 1.0 ?  -1  True False False True  0 0 -1 False True  A8   63  0.154   0.289   11.796  1 64\nATOM   O O   . PRO    B 0 8   . 8   PRO    B O   98.14 1.0 ?  -1  True False False True  0 0 -1 False True  A8   64  -0.277  -0.143  10.725  1 65\nATOM   C CB  . PRO    B 0 8   . 8   PRO    B CB  98.14 1.0 ?  -1  True False False True  0 0 -1 False True  A8   65  -0.656  2.447   12.828  1 66\nATOM   C CG  . PRO    B 0 8   . 8   PRO    B CG  98.14 1.0 ?  -1  True False False True  0 0 -1 False True  A8   66  -1.683  2.889   11.843  1 67\nATOM   C CD  . PRO    B 0 8   . 8   PRO    B CD  98.14 1.0 ?  -1  True False False True  0 0 -1 False True  A8   67  -0.885  3.362   10.657  1 68\nATOM   N N   . ALA    B 0 9   . 9   ALA    B N   97.67 1.0 ?  -1  True False False True  0 0 -1 False True  A9   68  0.494   -0.593  12.898  1 69\nATOM   C CA  . ALA    B 0 9   . 9   ALA    B CA  97.67 1.0 ?  -1  True False False True  0 0 -1 False True  A9   69  0.191   -2.022  12.899  1 70\nATOM   C C   . ALA    B 0 9   . 9   ALA    B C   97.67 1.0 ?  -1  True False False True  0 0 -1 False True  A9   70  -1.315  -2.263  12.861  1 71\nATOM   O O   . ALA    B 0 9   . 9   ALA    B O   97.67 1.0 ?  -1  True False False True  0 0 -1 False True  A9   71  -1.776  -3.27   12.319  1 72\nATOM   C CB  . ALA    B 0 9   . 9   ALA    B CB  97.67 1.0 ?  -1  True False False True  0 0 -1 False True  A9   72  0.803   -2.694  14.126  1 73\nATOM   N N   . LEU    B 0 10  . 10  LEU    B N   98.29 1.0 ?  -1  True False False True  0 0 -1 False True  A10  73  -2.175  -1.34   13.377  1 74\nATOM   C CA  . LEU    B 0 10  . 10  LEU    B CA  98.29 1.0 ?  -1  True False False True  0 0 -1 False True  A10  74  -3.634  -1.372  13.372  1 75\nATOM   C C   . LEU    B 0 10  . 10  LEU    B C   98.29 1.0 ?  -1  True False False True  0 0 -1 False True  A10  75  -4.207  0.021   13.128  1 76\nATOM   O O   . LEU    B 0 10  . 10  LEU    B O   98.29 1.0 ?  -1  True False False True  0 0 -1 False True  A10  76  -3.813  0.984   13.789  1 77\nATOM   C CB  . LEU    B 0 10  . 10  LEU    B CB  98.29 1.0 ?  -1  True False False True  0 0 -1 False True  A10  77  -4.159  -1.924  14.703  1 78\nATOM   C CG  . LEU    B 0 10  . 10  LEU    B CG  98.29 1.0 ?  -1  True False False True  0 0 -1 False True  A10  78  -5.679  -1.858  14.898  1 79\nATOM   C CD1 . LEU    B 0 10  . 10  LEU    B CD1 98.29 1.0 ?  -1  True False False True  0 0 -1 False True  A10  79  -6.363  -2.74   13.862  1 80\nATOM   C CD2 . LEU    B 0 10  . 10  LEU    B CD2 98.29 1.0 ?  -1  True False False True  0 0 -1 False True  A10  80  -6.03   -2.3    16.311  1 81\nATOM   N N   . LEU    B 0 11  . 11  LEU    B N   98.31 1.0 ?  -1  True False False True  0 0 -1 False True  A11  81  -5.059  0.147   12.119  1 82\nATOM   C CA  . LEU    B 0 11  . 11  LEU    B CA  98.31 1.0 ?  -1  True False False True  0 0 -1 False True  A11  82  -5.796  1.371   11.827  1 83\nATOM   C C   . LEU    B 0 11  . 11  LEU    B C   98.31 1.0 ?  -1  True False False True  0 0 -1 False True  A11  83  -7.3    1.121   11.857  1 84\nATOM   O O   . LEU    B 0 11  . 11  LEU    B O   98.31 1.0 ?  -1  True False False True  0 0 -1 False True  A11  84  -7.791  0.19    11.214  1 85\nATOM   C CB  . LEU    B 0 11  . 11  LEU    B CB  98.31 1.0 ?  -1  True False False True  0 0 -1 False True  A11  85  -5.389  1.923   10.455  1 86\nATOM   C CG  . LEU    B 0 11  . 11  LEU    B CG  98.31 1.0 ?  -1  True False False True  0 0 -1 False True  A11  86  -6.175  3.148   9.971   1 87\nATOM   C CD1 . LEU    B 0 11  . 11  LEU    B CD1 98.31 1.0 ?  -1  True False False True  0 0 -1 False True  A11  87  -5.936  4.313   10.921  1 88\nATOM   C CD2 . LEU    B 0 11  . 11  LEU    B CD2 98.31 1.0 ?  -1  True False False True  0 0 -1 False True  A11  88  -5.744  3.5     8.555   1 89\nATOM   N N   . VAL    B 0 12  . 12  VAL    B N   98.31 1.0 ?  -1  True False False True  0 0 -1 False True  A12  89  -8.047  1.898   12.676  1 90\nATOM   C CA  . VAL    B 0 12  . 12  VAL    B CA  98.31 1.0 ?  -1  True False False True  0 0 -1 False True  A12  90  -9.49   1.743   12.82   1 91\nATOM   C C   . VAL    B 0 12  . 12  VAL    B C   98.31 1.0 ?  -1  True False False True  0 0 -1 False True  A12  91  -10.197 3.011   12.348  1 92\nATOM   O O   . VAL    B 0 12  . 12  VAL    B O   98.31 1.0 ?  -1  True False False True  0 0 -1 False True  A12  92  -9.897  4.109   12.823  1 93\nATOM   C CB  . VAL    B 0 12  . 12  VAL    B CB  98.31 1.0 ?  -1  True False False True  0 0 -1 False True  A12  93  -9.862  1.455   14.287  1 94\nATOM   C CG1 . VAL    B 0 12  . 12  VAL    B CG1 98.31 1.0 ?  -1  True False False True  0 0 -1 False True  A12  94  -11.365 1.267   14.428  1 95\nATOM   C CG2 . VAL    B 0 12  . 12  VAL    B CG2 98.31 1.0 ?  -1  True False False True  0 0 -1 False True  A12  95  -9.116  0.224   14.778  1 96\nATOM   N N   . VAL    B 0 13  . 13  VAL    B N   97.86 1.0 ?  -1  True False False True  0 0 -1 False True  A13  96  -11.06  2.851   11.384  1 97\nATOM   C CA  . VAL    B 0 13  . 13  VAL    B CA  97.86 1.0 ?  -1  True False False True  0 0 -1 False True  A13  97  -11.784 3.993   10.834  1 98\nATOM   C C   . VAL    B 0 13  . 13  VAL    B C   97.86 1.0 ?  -1  True False False True  0 0 -1 False True  A13  98  -13.273 3.668   10.746  1 99\nATOM   O O   . VAL    B 0 13  . 13  VAL    B O   97.86 1.0 ?  -1  True False False True  0 0 -1 False True  A13  99  -13.673 2.512   10.906  1 100\nATOM   C CB  . VAL    B 0 13  . 13  VAL    B CB  97.86 1.0 ?  -1  True False False True  0 0 -1 False True  A13  100 -11.247 4.355   9.436   1 101\nATOM   C CG1 . VAL    B 0 13  . 13  VAL    B CG1 97.86 1.0 ?  -1  True False False True  0 0 -1 False True  A13  101 -9.759  4.665   9.501   1 102\nATOM   C CG2 . VAL    B 0 13  . 13  VAL    B CG2 97.86 1.0 ?  -1  True False False True  0 0 -1 False True  A13  102 -11.518 3.214   8.467   1 103\nATOM   N N   . THR    B 0 14  . 14  THR    B N   98.23 1.0 ?  -1  True False False True  0 0 -1 False True  A14  103 -14.124 4.709   10.568  1 104\nATOM   C CA  . THR    B 0 14  . 14  THR    B CA  98.23 1.0 ?  -1  True False False True  0 0 -1 False True  A14  104 -15.551 4.527   10.327  1 105\nATOM   C C   . THR    B 0 14  . 14  THR    B C   98.23 1.0 ?  -1  True False False True  0 0 -1 False True  A14  105 -15.837 4.429   8.831   1 106\nATOM   O O   . THR    B 0 14  . 14  THR    B O   98.23 1.0 ?  -1  True False False True  0 0 -1 False True  A14  106 -15.101 4.989   8.014   1 107\nATOM   C CB  . THR    B 0 14  . 14  THR    B CB  98.23 1.0 ?  -1  True False False True  0 0 -1 False True  A14  107 -16.37  5.678   10.94   1 108\nATOM   O OG1 . THR    B 0 14  . 14  THR    B OG1 98.23 1.0 ?  -1  True False False True  0 0 -1 False True  A14  108 -16.11  5.756   12.347  1 109\nATOM   C CG2 . THR    B 0 14  . 14  THR    B CG2 98.23 1.0 ?  -1  True False False True  0 0 -1 False True  A14  109 -17.858 5.452   10.715  1 110\nATOM   N N   . GLU    B 0 15  . 15  GLU    B N   98.25 1.0 ?  -1  True False False True  0 0 -1 False True  A15  110 -16.867 3.601   8.485   1 111\nATOM   C CA  . GLU    B 0 15  . 15  GLU    B CA  98.25 1.0 ?  -1  True False False True  0 0 -1 False True  A15  111 -17.305 3.516   7.094   1 112\nATOM   C C   . GLU    B 0 15  . 15  GLU    B C   98.25 1.0 ?  -1  True False False True  0 0 -1 False True  A15  112 -17.52  4.904   6.497   1 113\nATOM   O O   . GLU    B 0 15  . 15  GLU    B O   98.25 1.0 ?  -1  True False False True  0 0 -1 False True  A15  113 -18.217 5.735   7.081   1 114\nATOM   C CB  . GLU    B 0 15  . 15  GLU    B CB  98.25 1.0 ?  -1  True False False True  0 0 -1 False True  A15  114 -18.59  2.691   6.986   1 115\nATOM   C CG  . GLU    B 0 15  . 15  GLU    B CG  98.25 1.0 ?  -1  True False False True  0 0 -1 False True  A15  115 -19.022 2.412   5.553   1 116\nATOM   C CD  . GLU    B 0 15  . 15  GLU    B CD  98.25 1.0 ?  -1  True False False True  0 0 -1 False True  A15  116 -20.189 1.443   5.456   1 117\nATOM   O OE1 . GLU    B 0 15  . 15  GLU    B OE1 98.25 1.0 ?  -1  True False False True  0 0 -1 False True  A15  117 -20.384 0.832   4.381   1 118\nATOM   O OE2 . GLU    B 0 15  . 15  GLU    B OE2 98.25 1.0 ?  -1  True False False True  0 0 -1 False True  A15  118 -20.916 1.293   6.465   1 119\nATOM   N N   . GLY    B 0 16  . 16  GLY    B N   97.07 1.0 ?  -1  True False False True  0 0 -1 False True  A16  119 -16.839 5.216   5.297   1 120\nATOM   C CA  . GLY    B 0 16  . 16  GLY    B CA  97.07 1.0 ?  -1  True False False True  0 0 -1 False True  A16  120 -16.931 6.524   4.668   1 121\nATOM   C C   . GLY    B 0 16  . 16  GLY    B C   97.07 1.0 ?  -1  True False False True  0 0 -1 False True  A16  121 -15.704 7.386   4.9     1 122\nATOM   O O   . GLY    B 0 16  . 16  GLY    B O   97.07 1.0 ?  -1  True False False True  0 0 -1 False True  A16  122 -15.477 8.358   4.177   1 123\nATOM   N N   . ASP    B 0 17  . 17  ASP    B N   98.12 1.0 ?  -1  True False False True  0 0 -1 False True  A17  123 -14.835 6.904   6.023   1 124\nATOM   C CA  . ASP    B 0 17  . 17  ASP    B CA  98.12 1.0 ?  -1  True False False True  0 0 -1 False True  A17  124 -13.599 7.62    6.319   1 125\nATOM   C C   . ASP    B 0 17  . 17  ASP    B C   98.12 1.0 ?  -1  True False False True  0 0 -1 False True  A17  125 -12.509 7.278   5.305   1 126\nATOM   O O   . ASP    B 0 17  . 17  ASP    B O   98.12 1.0 ?  -1  True False False True  0 0 -1 False True  A17  126 -12.594 6.26    4.615   1 127\nATOM   C CB  . ASP    B 0 17  . 17  ASP    B CB  98.12 1.0 ?  -1  True False False True  0 0 -1 False True  A17  127 -13.114 7.291   7.733   1 128\nATOM   C CG  . ASP    B 0 17  . 17  ASP    B CG  98.12 1.0 ?  -1  True False False True  0 0 -1 False True  A17  128 -13.923 7.993   8.815   1 129\nATOM   O OD1 . ASP    B 0 17  . 17  ASP    B OD1 98.12 1.0 ?  -1  True False False True  0 0 -1 False True  A17  129 -14.593 8.949   8.503   1 130\nATOM   O OD2 . ASP    B 0 17  . 17  ASP    B OD2 98.12 1.0 ?  -1  True False False True  0 0 -1 False True  A17  130 -13.863 7.566   9.944   1 131\nATOM   N N   . ASN    B 0 18  . 18  ASN    B N   98.2  1.0 ?  -1  True False False True  0 0 -1 False True  A18  131 -11.516 8.189   5.193   1 132\nATOM   C CA  . ASN    B 0 18  . 18  ASN    B CA  98.2  1.0 ?  -1  True False False True  0 0 -1 False True  A18  132 -10.346 7.87    4.382   1 133\nATOM   C C   . ASN    B 0 18  . 18  ASN    B C   98.2  1.0 ?  -1  True False False True  0 0 -1 False True  A18  133 -9.257  7.196   5.211   1 134\nATOM   O O   . ASN    B 0 18  . 18  ASN    B O   98.2  1.0 ?  -1  True False False True  0 0 -1 False True  A18  134 -8.822  7.736   6.23    1 135\nATOM   C CB  . ASN    B 0 18  . 18  ASN    B CB  98.2  1.0 ?  -1  True False False True  0 0 -1 False True  A18  135 -9.809  9.121   3.712   1 136\nATOM   C CG  . ASN    B 0 18  . 18  ASN    B CG  98.2  1.0 ?  -1  True False False True  0 0 -1 False True  A18  136 -10.831 9.793   2.838   1 137\nATOM   O OD1 . ASN    B 0 18  . 18  ASN    B OD1 98.2  1.0 ?  -1  True False False True  0 0 -1 False True  A18  137 -11.672 9.128   2.221   1 138\nATOM   N ND2 . ASN    B 0 18  . 18  ASN    B ND2 98.2  1.0 ?  -1  True False False True  0 0 -1 False True  A18  138 -10.776 11.099  2.773   1 139\nATOM   N N   . ALA    B 0 19  . 19  ALA    B N   98.42 1.0 ?  -1  True False False True  0 0 -1 False True  A19  139 -8.955  5.938   4.906   1 140\nATOM   C CA  . ALA    B 0 19  . 19  ALA    B CA  98.42 1.0 ?  -1  True False False True  0 0 -1 False True  A19  140 -8.033  5.121   5.689   1 141\nATOM   C C   . ALA    B 0 19  . 19  ALA    B C   98.42 1.0 ?  -1  True False False True  0 0 -1 False True  A19  141 -6.609  5.231   5.149   1 142\nATOM   O O   . ALA    B 0 19  . 19  ALA    B O   98.42 1.0 ?  -1  True False False True  0 0 -1 False True  A19  142 -6.276  4.621   4.13    1 143\nATOM   C CB  . ALA    B 0 19  . 19  ALA    B CB  98.42 1.0 ?  -1  True False False True  0 0 -1 False True  A19  143 -8.485  3.663   5.694   1 144\nATOM   N N   . THR    B 0 20  . 20  THR    B N   98.51 1.0 ?  -1  True False False True  0 0 -1 False True  A20  144 -5.755  5.999   5.886   1 145\nATOM   C CA  . THR    B 0 20  . 20  THR    B CA  98.51 1.0 ?  -1  True False False True  0 0 -1 False True  A20  145 -4.428  6.275   5.347   1 146\nATOM   C C   . THR    B 0 20  . 20  THR    B C   98.51 1.0 ?  -1  True False False True  0 0 -1 False True  A20  146 -3.358  5.513   6.124   1 147\nATOM   O O   . THR    B 0 20  . 20  THR    B O   98.51 1.0 ?  -1  True False False True  0 0 -1 False True  A20  147 -3.337  5.546   7.356   1 148\nATOM   C CB  . THR    B 0 20  . 20  THR    B CB  98.51 1.0 ?  -1  True False False True  0 0 -1 False True  A20  148 -4.118  7.783   5.377   1 149\nATOM   O OG1 . THR    B 0 20  . 20  THR    B OG1 98.51 1.0 ?  -1  True False False True  0 0 -1 False True  A20  149 -5.071  8.486   4.569   1 150\nATOM   C CG2 . THR    B 0 20  . 20  THR    B CG2 98.51 1.0 ?  -1  True False False True  0 0 -1 False True  A20  150 -2.717  8.05    4.849   1 151\nATOM   N N   . PHE    B 0 21  . 21  PHE    B N   98.67 1.0 ?  -1  True False False True  0 0 -1 False True  A21  151 -2.588  4.781   5.37    1 152\nATOM   C CA  . PHE    B 0 21  . 21  PHE    B CA  98.67 1.0 ?  -1  True False False True  0 0 -1 False True  A21  152 -1.382  4.16    5.906   1 153\nATOM   C C   . PHE    B 0 21  . 21  PHE    B C   98.67 1.0 ?  -1  True False False True  0 0 -1 False True  A21  153 -0.135  4.892   5.423   1 154\nATOM   O O   . PHE    B 0 21  . 21  PHE    B O   98.67 1.0 ?  -1  True False False True  0 0 -1 False True  A21  154 -0.141  5.496   4.349   1 155\nATOM   C CB  . PHE    B 0 21  . 21  PHE    B CB  98.67 1.0 ?  -1  True False False True  0 0 -1 False True  A21  155 -1.313  2.684   5.503   1 156\nATOM   C CG  . PHE    B 0 21  . 21  PHE    B CG  98.67 1.0 ?  -1  True False False True  0 0 -1 False True  A21  156 -2.271  1.802   6.259   1 157\nATOM   C CD1 . PHE    B 0 21  . 21  PHE    B CD1 98.67 1.0 ?  -1  True False False True  0 0 -1 False True  A21  157 -1.916  1.263   7.49    1 158\nATOM   C CD2 . PHE    B 0 21  . 21  PHE    B CD2 98.67 1.0 ?  -1  True False False True  0 0 -1 False True  A21  158 -3.525  1.514   5.738   1 159\nATOM   C CE1 . PHE    B 0 21  . 21  PHE    B CE1 98.67 1.0 ?  -1  True False False True  0 0 -1 False True  A21  159 -2.801  0.447   8.191   1 160\nATOM   C CE2 . PHE    B 0 21  . 21  PHE    B CE2 98.67 1.0 ?  -1  True False False True  0 0 -1 False True  A21  160 -4.415  0.7     6.433   1 161\nATOM   C CZ  . PHE    B 0 21  . 21  PHE    B CZ  98.67 1.0 ?  -1  True False False True  0 0 -1 False True  A21  161 -4.049  0.167   7.66    1 162\nATOM   N N   . THR    B 0 22  . 22  THR    B N   98.59 1.0 ?  -1  True False False True  0 0 -1 False True  A22  162 0.885   4.781   6.273   1 163\nATOM   C CA  . THR    B 0 22  . 22  THR    B CA  98.59 1.0 ?  -1  True False False True  0 0 -1 False True  A22  163 2.164   5.354   5.87    1 164\nATOM   C C   . THR    B 0 22  . 22  THR    B C   98.59 1.0 ?  -1  True False False True  0 0 -1 False True  A22  164 3.173   4.254   5.552   1 165\nATOM   O O   . THR    B 0 22  . 22  THR    B O   98.59 1.0 ?  -1  True False False True  0 0 -1 False True  A22  165 3.296   3.282   6.3     1 166\nATOM   C CB  . THR    B 0 22  . 22  THR    B CB  98.59 1.0 ?  -1  True False False True  0 0 -1 False True  A22  166 2.73    6.279   6.964   1 167\nATOM   O OG1 . THR    B 0 22  . 22  THR    B OG1 98.59 1.0 ?  -1  True False False True  0 0 -1 False True  A22  167 1.81    7.35    7.21    1 168\nATOM   C CG2 . THR    B 0 22  . 22  THR    B CG2 98.59 1.0 ?  -1  True False False True  0 0 -1 False True  A22  168 4.071   6.855   6.534   1 169\nATOM   N N   . CYS    B 0 23  . 23  CYS    B N   98.61 1.0 ?  -1  True False False True  0 0 -1 False True  A23  169 3.796   4.362   4.326   1 170\nATOM   C CA  . CYS    B 0 23  . 23  CYS    B CA  98.61 1.0 ?  -1  True False False True  0 0 -1 False True  A23  170 4.84    3.435   3.904   1 171\nATOM   C C   . CYS    B 0 23  . 23  CYS    B C   98.61 1.0 ?  -1  True False False True  0 0 -1 False True  A23  171 6.163   4.162   3.695   1 172\nATOM   O O   . CYS    B 0 23  . 23  CYS    B O   98.61 1.0 ?  -1  True False False True  0 0 -1 False True  A23  172 6.273   5.018   2.816   1 173\nATOM   C CB  . CYS    B 0 23  . 23  CYS    B CB  98.61 1.0 ?  -1  True False False True  0 0 -1 False True  A23  173 4.432   2.718   2.617   1 174\nATOM   S SG  . CYS    B 0 23  . 23  CYS    B SG  98.61 1.0 ?  -1  True False False True  0 0 -1 False True  A23  174 5.641   1.502   2.047   1 175\nATOM   N N   . SER    B 0 24  . 24  SER    B N   98.42 1.0 ?  -1  True False False True  0 0 -1 False True  A24  175 7.163   3.835   4.53    1 176\nATOM   C CA  . SER    B 0 24  . 24  SER    B CA  98.42 1.0 ?  -1  True False False True  0 0 -1 False True  A24  176 8.436   4.547   4.498   1 177\nATOM   C C   . SER    B 0 24  . 24  SER    B C   98.42 1.0 ?  -1  True False False True  0 0 -1 False True  A24  177 9.522   3.708   3.833   1 178\nATOM   O O   . SER    B 0 24  . 24  SER    B O   98.42 1.0 ?  -1  True False False True  0 0 -1 False True  A24  178 9.95    2.69    4.381   1 179\nATOM   C CB  . SER    B 0 24  . 24  SER    B CB  98.42 1.0 ?  -1  True False False True  0 0 -1 False True  A24  179 8.861   4.919   5.904   1 180\nATOM   O OG  . SER    B 0 24  . 24  SER    B OG  98.42 1.0 ?  -1  True False False True  0 0 -1 False True  A24  180 10.086  5.6     5.895   1 181\nATOM   N N   . PHE    B 0 25  . 25  PHE    B N   97.49 1.0 ?  -1  True False False True  0 0 -1 False True  A25  181 9.901   4.156   2.703   1 182\nATOM   C CA  . PHE    B 0 25  . 25  PHE    B CA  97.49 1.0 ?  -1  True False False True  0 0 -1 False True  A25  182 10.863  3.434   1.879   1 183\nATOM   C C   . PHE    B 0 25  . 25  PHE    B C   97.49 1.0 ?  -1  True False False True  0 0 -1 False True  A25  183 12.098  4.289   1.616   1 184\nATOM   O O   . PHE    B 0 25  . 25  PHE    B O   97.49 1.0 ?  -1  True False False True  0 0 -1 False True  A25  184 12.086  5.149   0.732   1 185\nATOM   C CB  . PHE    B 0 25  . 25  PHE    B CB  97.49 1.0 ?  -1  True False False True  0 0 -1 False True  A25  185 10.227  3.018   0.551   1 186\nATOM   C CG  . PHE    B 0 25  . 25  PHE    B CG  97.49 1.0 ?  -1  True False False True  0 0 -1 False True  A25  186 11.15   2.243   -0.346  1 187\nATOM   C CD1 . PHE    B 0 25  . 25  PHE    B CD1 97.49 1.0 ?  -1  True False False True  0 0 -1 False True  A25  187 11.804  1.112   0.119   1 188\nATOM   C CD2 . PHE    B 0 25  . 25  PHE    B CD2 97.49 1.0 ?  -1  True False False True  0 0 -1 False True  A25  188 11.366  2.644   -1.655  1 189\nATOM   C CE1 . PHE    B 0 25  . 25  PHE    B CE1 97.49 1.0 ?  -1  True False False True  0 0 -1 False True  A25  189 12.653  0.398   -0.705  1 190\nATOM   C CE2 . PHE    B 0 25  . 25  PHE    B CE2 97.49 1.0 ?  -1  True False False True  0 0 -1 False True  A25  190 12.214  1.931   -2.482  1 191\nATOM   C CZ  . PHE    B 0 25  . 25  PHE    B CZ  97.49 1.0 ?  -1  True False False True  0 0 -1 False True  A25  191 12.858  0.807   -2.006  1 192\nATOM   N N   . SER    B 0 26  . 26  SER    B N   94.96 1.0 ?  -1  True False False True  0 0 -1 False True  A26  192 13.213  4.028   2.31    1 193\nATOM   C CA  . SER    B 0 26  . 26  SER    B CA  94.96 1.0 ?  -1  True False False True  0 0 -1 False True  A26  193 14.39   4.891   2.327   1 194\nATOM   C C   . SER    B 0 26  . 26  SER    B C   94.96 1.0 ?  -1  True False False True  0 0 -1 False True  A26  194 15.122  4.852   0.989   1 195\nATOM   O O   . SER    B 0 26  . 26  SER    B O   94.96 1.0 ?  -1  True False False True  0 0 -1 False True  A26  195 15.618  5.876   0.517   1 196\nATOM   C CB  . SER    B 0 26  . 26  SER    B CB  94.96 1.0 ?  -1  True False False True  0 0 -1 False True  A26  196 15.329  4.47    3.44    1 197\nATOM   O OG  . SER    B 0 26  . 26  SER    B OG  94.96 1.0 ?  -1  True False False True  0 0 -1 False True  A26  197 15.832  3.182   3.213   1 198\nATOM   N N   . ASN    B 0 27  . 27  ASN    B N   94.16 1.0 ?  -1  True False False True  0 0 -1 False True  A27  198 15.098  3.713   0.255   1 199\nATOM   C CA  . ASN    B 0 27  . 27  ASN    B CA  94.16 1.0 ?  -1  True False False True  0 0 -1 False True  A27  199 15.887  3.521   -0.957  1 200\nATOM   C C   . ASN    B 0 27  . 27  ASN    B C   94.16 1.0 ?  -1  True False False True  0 0 -1 False True  A27  200 15.125  3.974   -2.2    1 201\nATOM   O O   . ASN    B 0 27  . 27  ASN    B O   94.16 1.0 ?  -1  True False False True  0 0 -1 False True  A27  201 14.812  3.161   -3.071  1 202\nATOM   C CB  . ASN    B 0 27  . 27  ASN    B CB  94.16 1.0 ?  -1  True False False True  0 0 -1 False True  A27  202 16.31   2.07    -1.09   1 203\nATOM   C CG  . ASN    B 0 27  . 27  ASN    B CG  94.16 1.0 ?  -1  True False False True  0 0 -1 False True  A27  203 17.305  1.857   -2.196  1 204\nATOM   O OD1 . ASN    B 0 27  . 27  ASN    B OD1 94.16 1.0 ?  -1  True False False True  0 0 -1 False True  A27  204 17.944  2.807   -2.664  1 205\nATOM   N ND2 . ASN    B 0 27  . 27  ASN    B ND2 94.16 1.0 ?  -1  True False False True  0 0 -1 False True  A27  205 17.45   0.629   -2.623  1 206\nATOM   N N   . THR    B 0 28  . 28  THR    B N   93.53 1.0 ?  -1  True False False True  0 0 -1 False True  A28  206 14.856  5.332   -2.317  1 207\nATOM   C CA  . THR    B 0 28  . 28  THR    B CA  93.53 1.0 ?  -1  True False False True  0 0 -1 False True  A28  207 14.19   5.901   -3.483  1 208\nATOM   C C   . THR    B 0 28  . 28  THR    B C   93.53 1.0 ?  -1  True False False True  0 0 -1 False True  A28  208 15.19   6.623   -4.381  1 209\nATOM   O O   . THR    B 0 28  . 28  THR    B O   93.53 1.0 ?  -1  True False False True  0 0 -1 False True  A28  209 14.805  7.259   -5.364  1 210\nATOM   C CB  . THR    B 0 28  . 28  THR    B CB  93.53 1.0 ?  -1  True False False True  0 0 -1 False True  A28  210 13.07   6.872   -3.065  1 211\nATOM   O OG1 . THR    B 0 28  . 28  THR    B OG1 93.53 1.0 ?  -1  True False False True  0 0 -1 False True  A28  211 13.622  7.927   -2.265  1 212\nATOM   C CG2 . THR    B 0 28  . 28  THR    B CG2 93.53 1.0 ?  -1  True False False True  0 0 -1 False True  A28  212 12.001  6.142   -2.266  1 213\nATOM   N N   . SER    B 0 29  . 29  SER    B N   91.16 1.0 ?  -1  True False False True  0 0 -1 False True  A29  213 16.48   6.546   -4.038  1 214\nATOM   C CA  . SER    B 0 29  . 29  SER    B CA  91.16 1.0 ?  -1  True False False True  0 0 -1 False True  A29  214 17.528  7.1     -4.89   1 215\nATOM   C C   . SER    B 0 29  . 29  SER    B C   91.16 1.0 ?  -1  True False False True  0 0 -1 False True  A29  215 17.838  6.173   -6.06   1 216\nATOM   O O   . SER    B 0 29  . 29  SER    B O   91.16 1.0 ?  -1  True False False True  0 0 -1 False True  A29  216 18.388  6.606   -7.075  1 217\nATOM   C CB  . SER    B 0 29  . 29  SER    B CB  91.16 1.0 ?  -1  True False False True  0 0 -1 False True  A29  217 18.786  7.343   -4.078  1 218\nATOM   O OG  . SER    B 0 29  . 29  SER    B OG  91.16 1.0 ?  -1  True False False True  0 0 -1 False True  A29  218 19.331  6.134   -3.624  1 219\nATOM   N N   . GLU    B 0 30  . 30  GLU    B N   90.48 1.0 ?  -1  True False False True  0 0 -1 False True  A30  219 17.447  4.87    -6.016  1 220\nATOM   C CA  . GLU    B 0 30  . 30  GLU    B CA  90.48 1.0 ?  -1  True False False True  0 0 -1 False True  A30  220 17.608  3.856   -7.054  1 221\nATOM   C C   . GLU    B 0 30  . 30  GLU    B C   90.48 1.0 ?  -1  True False False True  0 0 -1 False True  A30  221 16.309  3.648   -7.828  1 222\nATOM   O O   . GLU    B 0 30  . 30  GLU    B O   90.48 1.0 ?  -1  True False False True  0 0 -1 False True  A30  222 15.257  4.156   -7.433  1 223\nATOM   C CB  . GLU    B 0 30  . 30  GLU    B CB  90.48 1.0 ?  -1  True False False True  0 0 -1 False True  A30  223 18.064  2.531   -6.439  1 224\nATOM   C CG  . GLU    B 0 30  . 30  GLU    B CG  90.48 1.0 ?  -1  True False False True  0 0 -1 False True  A30  224 19.447  2.576   -5.805  1 225\nATOM   C CD  . GLU    B 0 30  . 30  GLU    B CD  90.48 1.0 ?  -1  True False False True  0 0 -1 False True  A30  225 19.859  1.261   -5.204  1 226\nATOM   O OE1 . GLU    B 0 30  . 30  GLU    B OE1 90.48 1.0 ?  -1  True False False True  0 0 -1 False True  A30  226 19.015  0.413   -5.044  1 227\nATOM   O OE2 . GLU    B 0 30  . 30  GLU    B OE2 90.48 1.0 ?  -1  True False False True  0 0 -1 False True  A30  227 21.02   1.104   -4.906  1 228\nATOM   N N   . SER    B 0 31  . 31  SER    B N   91.43 1.0 ?  -1  True False False True  0 0 -1 False True  A31  228 16.4    3.026   -9.039  1 229\nATOM   C CA  . SER    B 0 31  . 31  SER    B CA  91.43 1.0 ?  -1  True False False True  0 0 -1 False True  A31  229 15.183  2.733   -9.789  1 230\nATOM   C C   . SER    B 0 31  . 31  SER    B C   91.43 1.0 ?  -1  True False False True  0 0 -1 False True  A31  230 14.309  1.722   -9.054  1 231\nATOM   O O   . SER    B 0 31  . 31  SER    B O   91.43 1.0 ?  -1  True False False True  0 0 -1 False True  A31  231 14.78   0.648   -8.674  1 232\nATOM   C CB  . SER    B 0 31  . 31  SER    B CB  91.43 1.0 ?  -1  True False False True  0 0 -1 False True  A31  232 15.534  2.205   -11.166 1 233\nATOM   O OG  . SER    B 0 31  . 31  SER    B OG  91.43 1.0 ?  -1  True False False True  0 0 -1 False True  A31  233 16.222  3.17    -11.914 1 234\nATOM   N N   . PHE    B 0 32  . 32  PHE    B N   94.51 1.0 ?  -1  True False False True  0 0 -1 False True  A32  234 12.996  2.136   -8.848  1 235\nATOM   C CA  . PHE    B 0 32  . 32  PHE    B CA  94.51 1.0 ?  -1  True False False True  0 0 -1 False True  A32  235 12.14   1.276   -8.04   1 236\nATOM   C C   . PHE    B 0 32  . 32  PHE    B C   94.51 1.0 ?  -1  True False False True  0 0 -1 False True  A32  236 10.678  1.442   -8.435  1 237\nATOM   O O   . PHE    B 0 32  . 32  PHE    B O   94.51 1.0 ?  -1  True False False True  0 0 -1 False True  A32  237 10.322  2.397   -9.13   1 238\nATOM   C CB  . PHE    B 0 32  . 32  PHE    B CB  94.51 1.0 ?  -1  True False False True  0 0 -1 False True  A32  238 12.32   1.582   -6.55   1 239\nATOM   C CG  . PHE    B 0 32  . 32  PHE    B CG  94.51 1.0 ?  -1  True False False True  0 0 -1 False True  A32  239 11.642  2.85    -6.105  1 240\nATOM   C CD1 . PHE    B 0 32  . 32  PHE    B CD1 94.51 1.0 ?  -1  True False False True  0 0 -1 False True  A32  240 12.238  4.086   -6.323  1 241\nATOM   C CD2 . PHE    B 0 32  . 32  PHE    B CD2 94.51 1.0 ?  -1  True False False True  0 0 -1 False True  A32  241 10.408  2.805   -5.469  1 242\nATOM   C CE1 . PHE    B 0 32  . 32  PHE    B CE1 94.51 1.0 ?  -1  True False False True  0 0 -1 False True  A32  242 11.612  5.261   -5.911  1 243\nATOM   C CE2 . PHE    B 0 32  . 32  PHE    B CE2 94.51 1.0 ?  -1  True False False True  0 0 -1 False True  A32  243 9.778   3.974   -5.055  1 244\nATOM   C CZ  . PHE    B 0 32  . 32  PHE    B CZ  94.51 1.0 ?  -1  True False False True  0 0 -1 False True  A32  244 10.382  5.202   -5.277  1 245\nATOM   N N   . VAL    B 0 33  . 33  VAL    B N   96.19 1.0 ?  -1  True False False True  0 0 -1 False True  A33  245 9.915   0.477   -8.012  1 246\nATOM   C CA  . VAL    B 0 33  . 33  VAL    B CA  96.19 1.0 ?  -1  True False False True  0 0 -1 False True  A33  246 8.459   0.55    -7.961  1 247\nATOM   C C   . VAL    B 0 33  . 33  VAL    B C   96.19 1.0 ?  -1  True False False True  0 0 -1 False True  A33  247 7.969   0.145   -6.573  1 248\nATOM   O O   . VAL    B 0 33  . 33  VAL    B O   96.19 1.0 ?  -1  True False False True  0 0 -1 False True  A33  248 8.403   -0.873  -6.027  1 249\nATOM   C CB  . VAL    B 0 33  . 33  VAL    B CB  96.19 1.0 ?  -1  True False False True  0 0 -1 False True  A33  249 7.831   -0.371  -9.023  1 250\nATOM   C CG1 . VAL    B 0 33  . 33  VAL    B CG1 96.19 1.0 ?  -1  True False True  True  0 0 -1 False True  A33  250 6.312   -0.332  -8.932  1 251\nATOM   C CG2 . VAL    B 0 33  . 33  VAL    B CG2 96.19 1.0 ?  -1  True False True  True  0 0 -1 False True  A33  251 8.298   0.045   -10.41  1 252\nATOM   N N   . LEU    B 0 34  . 34  LEU    B N   97.48 1.0 ?  -1  True False False True  0 0 -1 False True  A34  252 7.139   0.991   -6.017  1 253\nATOM   C CA  . LEU    B 0 34  . 34  LEU    B CA  97.48 1.0 ?  -1  True False False True  0 0 -1 False True  A34  253 6.563   0.69    -4.712  1 254\nATOM   C C   . LEU    B 0 34  . 34  LEU    B C   97.48 1.0 ?  -1  True False False True  0 0 -1 False True  A34  254 5.12    0.217   -4.851  1 255\nATOM   O O   . LEU    B 0 34  . 34  LEU    B O   97.48 1.0 ?  -1  True False False True  0 0 -1 False True  A34  255 4.286   0.917   -5.428  1 256\nATOM   C CB  . LEU    B 0 34  . 34  LEU    B CB  97.48 1.0 ?  -1  True False False True  0 0 -1 False True  A34  256 6.619   1.928   -3.807  1 257\nATOM   C CG  . LEU    B 0 34  . 34  LEU    B CG  97.48 1.0 ?  -1  True False False True  0 0 -1 False True  A34  257 6.014   1.758   -2.408  1 258\nATOM   C CD1 . LEU    B 0 34  . 34  LEU    B CD1 97.48 1.0 ?  -1  True False False True  0 0 -1 False True  A34  258 6.841   0.753   -1.616  1 259\nATOM   C CD2 . LEU    B 0 34  . 34  LEU    B CD2 97.48 1.0 ?  -1  True False False True  0 0 -1 False True  A34  259 5.972   3.106   -1.705  1 260\nATOM   N N   . ASN    B 0 35  . 35  ASN    B N   97.74 1.0 ?  -1  True False False True  0 0 -1 False True  A35  260 4.866   -1.023  -4.394  1 261\nATOM   C CA  . ASN    B 0 35  . 35  ASN    B CA  97.74 1.0 ?  -1  True False False True  0 0 -1 False True  A35  261 3.577   -1.667  -4.627  1 262\nATOM   C C   . ASN    B 0 35  . 35  ASN    B C   97.74 1.0 ?  -1  True False False True  0 0 -1 False True  A35  262 2.759   -1.762  -3.342  1 263\nATOM   O O   . ASN    B 0 35  . 35  ASN    B O   97.74 1.0 ?  -1  True False False True  0 0 -1 False True  A35  263 3.308   -2.013  -2.268  1 264\nATOM   C CB  . ASN    B 0 35  . 35  ASN    B CB  97.74 1.0 ?  -1  True False False True  0 0 -1 False True  A35  264 3.773   -3.044  -5.236  1 265\nATOM   C CG  . ASN    B 0 35  . 35  ASN    B CG  97.74 1.0 ?  -1  True False False True  0 0 -1 False True  A35  265 4.305   -2.983  -6.641  1 266\nATOM   O OD1 . ASN    B 0 35  . 35  ASN    B OD1 97.74 1.0 ?  -1  True False False True  0 0 -1 False True  A35  266 3.558   -2.714  -7.589  1 267\nATOM   N ND2 . ASN    B 0 35  . 35  ASN    B ND2 97.74 1.0 ?  -1  True False False True  0 0 -1 False True  A35  267 5.581   -3.228  -6.793  1 268\nATOM   N N   . TRP    B 0 36  . 36  TRP    B N   98.23 1.0 ?  -1  True False False True  0 0 -1 False True  A36  268 1.476   -1.508  -3.494  1 269\nATOM   C CA  . TRP    B 0 36  . 36  TRP    B CA  98.23 1.0 ?  -1  True False False True  0 0 -1 False True  A36  269 0.528   -1.6    -2.389  1 270\nATOM   C C   . TRP    B 0 36  . 36  TRP    B C   98.23 1.0 ?  -1  True False False True  0 0 -1 False True  A36  270 -0.379  -2.815  -2.549  1 271\nATOM   O O   . TRP    B 0 36  . 36  TRP    B O   98.23 1.0 ?  -1  True False False True  0 0 -1 False True  A36  271 -1.08   -2.946  -3.555  1 272\nATOM   C CB  . TRP    B 0 36  . 36  TRP    B CB  98.23 1.0 ?  -1  True False False True  0 0 -1 False True  A36  272 -0.317  -0.326  -2.297  1 273\nATOM   C CG  . TRP    B 0 36  . 36  TRP    B CG  98.23 1.0 ?  -1  True False False True  0 0 -1 False True  A36  273 -1.174  -0.25   -1.069  1 274\nATOM   C CD1 . TRP    B 0 36  . 36  TRP    B CD1 98.23 1.0 ?  -1  True False False True  0 0 -1 False True  A36  274 -1.027  -0.971  0.083   1 275\nATOM   C CD2 . TRP    B 0 36  . 36  TRP    B CD2 98.23 1.0 ?  -1  True False False True  0 0 -1 False True  A36  275 -2.314  0.591   -0.874  1 276\nATOM   N NE1 . TRP    B 0 36  . 36  TRP    B NE1 98.23 1.0 ?  -1  True False False True  0 0 -1 False True  A36  276 -2.009  -0.628  0.984   1 277\nATOM   C CE2 . TRP    B 0 36  . 36  TRP    B CE2 98.23 1.0 ?  -1  True False False True  0 0 -1 False True  A36  277 -2.812  0.328   0.421   1 278\nATOM   C CE3 . TRP    B 0 36  . 36  TRP    B CE3 98.23 1.0 ?  -1  True False False True  0 0 -1 False True  A36  278 -2.964  1.544   -1.671  1 279\nATOM   C CZ2 . TRP    B 0 36  . 36  TRP    B CZ2 98.23 1.0 ?  -1  True False False True  0 0 -1 False True  A36  279 -3.93   0.985   0.939   1 280\nATOM   C CZ3 . TRP    B 0 36  . 36  TRP    B CZ3 98.23 1.0 ?  -1  True False False True  0 0 -1 False True  A36  280 -4.078  2.196   -1.153  1 281\nATOM   C CH2 . TRP    B 0 36  . 36  TRP    B CH2 98.23 1.0 ?  -1  True False False True  0 0 -1 False True  A36  281 -4.548  1.912   0.14    1 282\nATOM   N N   . TYR    B 0 37  . 37  TYR    B N   97.56 1.0 ?  -1  True False False True  0 0 -1 False True  A37  282 -0.31   -3.778  -1.546  1 283\nATOM   C CA  . TYR    B 0 37  . 37  TYR    B CA  97.56 1.0 ?  -1  True False False True  0 0 -1 False True  A37  283 -1.03   -5.044  -1.635  1 284\nATOM   C C   . TYR    B 0 37  . 37  TYR    B C   97.56 1.0 ?  -1  True False False True  0 0 -1 False True  A37  284 -2.039  -5.178  -0.501  1 285\nATOM   O O   . TYR    B 0 37  . 37  TYR    B O   97.56 1.0 ?  -1  True False False True  0 0 -1 False True  A37  285 -1.87   -4.577  0.564   1 286\nATOM   C CB  . TYR    B 0 37  . 37  TYR    B CB  97.56 1.0 ?  -1  True False False True  0 0 -1 False True  A37  286 -0.051  -6.22   -1.619  1 287\nATOM   C CG  . TYR    B 0 37  . 37  TYR    B CG  97.56 1.0 ?  -1  True False False True  0 0 -1 False True  A37  287 0.837   -6.292  -2.842  1 288\nATOM   C CD1 . TYR    B 0 37  . 37  TYR    B CD1 97.56 1.0 ?  -1  True False False True  0 0 -1 False True  A37  288 2.159   -5.878  -2.764  1 289\nATOM   C CD2 . TYR    B 0 37  . 37  TYR    B CD2 97.56 1.0 ?  -1  True False False True  0 0 -1 False True  A37  289 0.33    -6.772  -4.04   1 290\nATOM   C CE1 . TYR    B 0 37  . 37  TYR    B CE1 97.56 1.0 ?  -1  True False False True  0 0 -1 False True  A37  290 2.97    -5.943  -3.88   1 291\nATOM   C CE2 . TYR    B 0 37  . 37  TYR    B CE2 97.56 1.0 ?  -1  True False False True  0 0 -1 False True  A37  291 1.141   -6.837  -5.156  1 292\nATOM   C CZ  . TYR    B 0 37  . 37  TYR    B CZ  97.56 1.0 ?  -1  True False False True  0 0 -1 False True  A37  292 2.456   -6.425  -5.079  1 293\nATOM   O OH  . TYR    B 0 37  . 37  TYR    B OH  97.56 1.0 ?  -1  True False False True  0 0 -1 False True  A37  293 3.264   -6.49   -6.191  1 294\nATOM   N N   . ARG    B 0 38  . 38  ARG    B N   98.0  1.0 ?  -1  True False False True  0 0 -1 False True  A38  294 -3.083  -5.884  -0.773  1 295\nATOM   C CA  . ARG    B 0 38  . 38  ARG    B CA  98.0  1.0 ?  -1  True False False True  0 0 -1 False True  A38  295 -3.965  -6.436  0.25    1 296\nATOM   C C   . ARG    B 0 38  . 38  ARG    B C   98.0  1.0 ?  -1  True False False True  0 0 -1 False True  A38  296 -3.81   -7.951  0.347   1 297\nATOM   O O   . ARG    B 0 38  . 38  ARG    B O   98.0  1.0 ?  -1  True False False True  0 0 -1 False True  A38  297 -3.662  -8.631  -0.67   1 298\nATOM   C CB  . ARG    B 0 38  . 38  ARG    B CB  98.0  1.0 ?  -1  True False False True  0 0 -1 False True  A38  298 -5.417  -6.095  -0.052  1 299\nATOM   C CG  . ARG    B 0 38  . 38  ARG    B CG  98.0  1.0 ?  -1  True False False True  0 0 -1 False True  A38  299 -6.414  -6.552  1.002   1 300\nATOM   C CD  . ARG    B 0 38  . 38  ARG    B CD  98.0  1.0 ?  -1  True False False True  0 0 -1 False True  A38  300 -7.789  -6.079  0.699   1 301\nATOM   N NE  . ARG    B 0 38  . 38  ARG    B NE  98.0  1.0 ?  -1  True False False True  0 0 -1 False True  A38  301 -8.732  -6.45   1.741   1 302\nATOM   C CZ  . ARG    B 0 38  . 38  ARG    B CZ  98.0  1.0 ?  -1  True False False True  0 0 -1 False True  A38  302 -10.064 -6.264  1.669   1 303\nATOM   N NH1 . ARG    B 0 38  . 38  ARG    B NH1 98.0  1.0 ?  -1  True False False True  0 0 -1 False True  A38  303 -10.594 -5.71   0.6     1 304\nATOM   N NH2 . ARG    B 0 38  . 38  ARG    B NH2 98.0  1.0 +1 -1  True False False True  0 0 -1 False True  A38  304 -10.839 -6.636  2.673   1 305\nATOM   N N   . MET    B 0 39  . 39  MET    B N   96.92 1.0 ?  -1  True False False True  0 0 -1 False True  A39  305 -3.852  -8.471  1.589   1 306\nATOM   C CA  . MET    B 0 39  . 39  MET    B CA  96.92 1.0 ?  -1  True False False True  0 0 -1 False True  A39  306 -3.771  -9.913  1.796   1 307\nATOM   C C   . MET    B 0 39  . 39  MET    B C   96.92 1.0 ?  -1  True False False True  0 0 -1 False True  A39  307 -5.141  -10.493 2.131   1 308\nATOM   O O   . MET    B 0 39  . 39  MET    B O   96.92 1.0 ?  -1  True False False True  0 0 -1 False True  A39  308 -5.923  -9.871  2.853   1 309\nATOM   C CB  . MET    B 0 39  . 39  MET    B CB  96.92 1.0 ?  -1  True False False True  0 0 -1 False True  A39  309 -2.77   -10.234 2.904   1 310\nATOM   C CG  . MET    B 0 39  . 39  MET    B CG  96.92 1.0 ?  -1  True False False True  0 0 -1 False True  A39  310 -1.35   -9.764  2.625   1 311\nATOM   S SD  . MET    B 0 39  . 39  MET    B SD  96.92 1.0 ?  -1  True False False True  0 0 -1 False True  A39  311 -0.706  -10.387 1.06    1 312\nATOM   C CE  . MET    B 0 39  . 39  MET    B CE  96.92 1.0 ?  -1  True False False True  0 0 -1 False True  A39  312 -0.663  -12.147 1.388   1 313\nATOM   N N   . SER    B 0 40  . 40  SER    B N   94.26 1.0 ?  -1  True False False True  0 0 -1 False True  A40  313 -5.41   -11.59  1.501   1 314\nATOM   C CA  . SER    B 0 40  . 40  SER    B CA  94.26 1.0 ?  -1  True False False True  0 0 -1 False True  A40  314 -6.663  -12.264 1.83    1 315\nATOM   C C   . SER    B 0 40  . 40  SER    B C   94.26 1.0 ?  -1  True False False True  0 0 -1 False True  A40  315 -6.444  -13.363 2.863   1 316\nATOM   O O   . SER    B 0 40  . 40  SER    B O   94.26 1.0 ?  -1  True False False True  0 0 -1 False True  A40  316 -5.303  -13.693 3.195   1 317\nATOM   C CB  . SER    B 0 40  . 40  SER    B CB  94.26 1.0 ?  -1  True False False True  0 0 -1 False True  A40  317 -7.283  -12.852 0.577   1 318\nATOM   O OG  . SER    B 0 40  . 40  SER    B OG  94.26 1.0 ?  -1  True False False True  0 0 -1 False True  A40  318 -6.681  -14.072 0.244   1 319\nATOM   N N   . PRO    B 0 41  . 41  PRO    B N   90.85 1.0 ?  -1  True False False True  0 0 -1 False True  A41  319 -7.504  -13.933 3.4     1 320\nATOM   C CA  . PRO    B 0 41  . 41  PRO    B CA  90.85 1.0 ?  -1  True False False True  0 0 -1 False True  A41  320 -7.371  -15.023 4.37    1 321\nATOM   C C   . PRO    B 0 41  . 41  PRO    B C   90.85 1.0 ?  -1  True False False True  0 0 -1 False True  A41  321 -6.612  -16.223 3.809   1 322\nATOM   O O   . PRO    B 0 41  . 41  PRO    B O   90.85 1.0 ?  -1  True False False True  0 0 -1 False True  A41  322 -6.135  -17.068 4.572   1 323\nATOM   C CB  . PRO    B 0 41  . 41  PRO    B CB  90.85 1.0 ?  -1  True False False True  0 0 -1 False True  A41  323 -8.829  -15.38  4.676   1 324\nATOM   C CG  . PRO    B 0 41  . 41  PRO    B CG  90.85 1.0 ?  -1  True False False True  0 0 -1 False True  A41  324 -9.581  -14.127 4.386   1 325\nATOM   C CD  . PRO    B 0 41  . 41  PRO    B CD  90.85 1.0 ?  -1  True False False True  0 0 -1 False True  A41  325 -8.907  -13.559 3.165   1 326\nATOM   N N   . SER    B 0 42  . 42  SER    B N   90.12 1.0 ?  -1  True False False True  0 0 -1 False True  A42  326 -6.522  -16.287 2.481   1 327\nATOM   C CA  . SER    B 0 42  . 42  SER    B CA  90.12 1.0 ?  -1  True False False True  0 0 -1 False True  A42  327 -5.836  -17.406 1.843   1 328\nATOM   C C   . SER    B 0 42  . 42  SER    B C   90.12 1.0 ?  -1  True False False True  0 0 -1 False True  A42  328 -4.339  -17.142 1.725   1 329\nATOM   O O   . SER    B 0 42  . 42  SER    B O   90.12 1.0 ?  -1  True False False True  0 0 -1 False True  A42  329 -3.591  -17.991 1.235   1 330\nATOM   C CB  . SER    B 0 42  . 42  SER    B CB  90.12 1.0 ?  -1  True False False True  0 0 -1 False True  A42  330 -6.424  -17.663 0.469   1 331\nATOM   O OG  . SER    B 0 42  . 42  SER    B OG  90.12 1.0 ?  -1  True False False True  0 0 -1 False True  A42  331 -6.224  -16.563 -0.376  1 332\nATOM   N N   . ASN    B 0 43  . 43  ASN    B N   86.25 1.0 ?  -1  True False False True  0 0 -1 False True  A43  332 -3.945  -15.994 2.196   1 333\nATOM   C CA  . ASN    B 0 43  . 43  ASN    B CA  86.25 1.0 ?  -1  True False False True  0 0 -1 False True  A43  333 -2.566  -15.526 2.103   1 334\nATOM   C C   . ASN    B 0 43  . 43  ASN    B C   86.25 1.0 ?  -1  True False False True  0 0 -1 False True  A43  334 -2.172  -15.228 0.659   1 335\nATOM   O O   . ASN    B 0 43  . 43  ASN    B O   86.25 1.0 ?  -1  True False False True  0 0 -1 False True  A43  335 -0.998  -15.325 0.298   1 336\nATOM   C CB  . ASN    B 0 43  . 43  ASN    B CB  86.25 1.0 ?  -1  True False False True  0 0 -1 False True  A43  336 -1.618  -16.542 2.714   1 337\nATOM   C CG  . ASN    B 0 43  . 43  ASN    B CG  86.25 1.0 ?  -1  True False False True  0 0 -1 False True  A43  337 -0.328  -15.923 3.177   1 338\nATOM   O OD1 . ASN    B 0 43  . 43  ASN    B OD1 86.25 1.0 ?  -1  True False False True  0 0 -1 False True  A43  338 -0.314  -14.798 3.69    1 339\nATOM   N ND2 . ASN    B 0 43  . 43  ASN    B ND2 86.25 1.0 ?  -1  True False False True  0 0 -1 False True  A43  339 0.756   -16.635 3.006   1 340\nATOM   N N   . GLN    B 0 44  . 44  GLN    B N   90.34 1.0 ?  -1  True False False True  0 0 -1 False True  A44  340 -3.137  -14.957 -0.192  1 341\nATOM   C CA  . GLN    B 0 44  . 44  GLN    B CA  90.34 1.0 ?  -1  True False False True  0 0 -1 False True  A44  341 -2.926  -14.455 -1.547  1 342\nATOM   C C   . GLN    B 0 44  . 44  GLN    B C   90.34 1.0 ?  -1  True False False True  0 0 -1 False True  A44  342 -2.852  -12.931 -1.564  1 343\nATOM   O O   . GLN    B 0 44  . 44  GLN    B O   90.34 1.0 ?  -1  True False False True  0 0 -1 False True  A44  343 -3.422  -12.267 -0.695  1 344\nATOM   C CB  . GLN    B 0 44  . 44  GLN    B CB  90.34 1.0 ?  -1  True False False True  0 0 -1 False True  A44  344 -4.044  -14.936 -2.476  1 345\nATOM   C CG  . GLN    B 0 44  . 44  GLN    B CG  90.34 1.0 ?  -1  True False False True  0 0 -1 False True  A44  345 -4.043  -16.434 -2.729  1 346\nATOM   C CD  . GLN    B 0 44  . 44  GLN    B CD  90.34 1.0 ?  -1  True False False True  0 0 -1 False True  A44  346 -5.262  -16.891 -3.506  1 347\nATOM   O OE1 . GLN    B 0 44  . 44  GLN    B OE1 90.34 1.0 ?  -1  True False False True  0 0 -1 False True  A44  347 -6.368  -16.97  -2.964  1 348\nATOM   N NE2 . GLN    B 0 44  . 44  GLN    B NE2 90.34 1.0 ?  -1  True False False True  0 0 -1 False True  A44  348 -5.068  -17.195 -4.784  1 349\nATOM   N N   . THR    B 0 45  . 45  THR    B N   93.05 1.0 ?  -1  True False False True  0 0 -1 False True  A45  349 -2.098  -12.462 -2.488  1 350\nATOM   C CA  . THR    B 0 45  . 45  THR    B CA  93.05 1.0 ?  -1  True False False True  0 0 -1 False True  A45  350 -1.84   -11.026 -2.501  1 351\nATOM   C C   . THR    B 0 45  . 45  THR    B C   93.05 1.0 ?  -1  True False False True  0 0 -1 False True  A45  351 -2.52   -10.366 -3.698  1 352\nATOM   O O   . THR    B 0 45  . 45  THR    B O   93.05 1.0 ?  -1  True False False True  0 0 -1 False True  A45  352 -2.427  -10.862 -4.822  1 353\nATOM   C CB  . THR    B 0 45  . 45  THR    B CB  93.05 1.0 ?  -1  True False False True  0 0 -1 False True  A45  353 -0.329  -10.731 -2.533  1 354\nATOM   O OG1 . THR    B 0 45  . 45  THR    B OG1 93.05 1.0 ?  -1  True False False True  0 0 -1 False True  A45  354 -0.117  -9.317  -2.631  1 355\nATOM   C CG2 . THR    B 0 45  . 45  THR    B CG2 93.05 1.0 ?  -1  True False False True  0 0 -1 False True  A45  355 0.324   -11.422 -3.721  1 356\nATOM   N N   . ASP    B 0 46  . 46  ASP    B N   94.39 1.0 ?  -1  True False False True  0 0 -1 False True  A46  356 -3.274  -9.314  -3.411  1 357\nATOM   C CA  . ASP    B 0 46  . 46  ASP    B CA  94.39 1.0 ?  -1  True False False True  0 0 -1 False True  A46  357 -4.035  -8.597  -4.429  1 358\nATOM   C C   . ASP    B 0 46  . 46  ASP    B C   94.39 1.0 ?  -1  True False False True  0 0 -1 False True  A46  358 -3.482  -7.189  -4.638  1 359\nATOM   O O   . ASP    B 0 46  . 46  ASP    B O   94.39 1.0 ?  -1  True False False True  0 0 -1 False True  A46  359 -3.348  -6.421  -3.684  1 360\nATOM   C CB  . ASP    B 0 46  . 46  ASP    B CB  94.39 1.0 ?  -1  True False False True  0 0 -1 False True  A46  360 -5.513  -8.519  -4.039  1 361\nATOM   C CG  . ASP    B 0 46  . 46  ASP    B CG  94.39 1.0 ?  -1  True False False True  0 0 -1 False True  A46  361 -6.216  -9.869  -4.11   1 362\nATOM   O OD1 . ASP    B 0 46  . 46  ASP    B OD1 94.39 1.0 ?  -1  True False False True  0 0 -1 False True  A46  362 -6.1    -10.525 -5.117  1 363\nATOM   O OD2 . ASP    B 0 46  . 46  ASP    B OD2 94.39 1.0 ?  -1  True False False True  0 0 -1 False True  A46  363 -6.862  -10.23  -3.155  1 364\nATOM   N N   . LYS    B 0 47  . 47  LYS    B N   95.64 1.0 ?  -1  True False False True  0 0 -1 False True  A47  364 -3.054  -6.976  -5.864  1 365\nATOM   C CA  . LYS    B 0 47  . 47  LYS    B CA  95.64 1.0 ?  -1  True False False True  0 0 -1 False True  A47  365 -2.551  -5.63   -6.12   1 366\nATOM   C C   . LYS    B 0 47  . 47  LYS    B C   95.64 1.0 ?  -1  True False False True  0 0 -1 False True  A47  366 -3.65   -4.588  -5.938  1 367\nATOM   O O   . LYS    B 0 47  . 47  LYS    B O   95.64 1.0 ?  -1  True False False True  0 0 -1 False True  A47  367 -4.75   -4.738  -6.474  1 368\nATOM   C CB  . LYS    B 0 47  . 47  LYS    B CB  95.64 1.0 ?  -1  True False False True  0 0 -1 False True  A47  368 -1.966  -5.534  -7.53   1 369\nATOM   C CG  . LYS    B 0 47  . 47  LYS    B CG  95.64 1.0 ?  -1  True False False True  0 0 -1 False True  A47  369 -1.435  -4.153  -7.887  1 370\nATOM   C CD  . LYS    B 0 47  . 47  LYS    B CD  95.64 1.0 ?  -1  True False False True  0 0 -1 False True  A47  370 -0.741  -4.156  -9.243  1 371\nATOM   C CE  . LYS    B 0 47  . 47  LYS    B CE  95.64 1.0 ?  -1  True False False True  0 0 -1 False True  A47  371 -1.73   -4.387  -10.378 1 372\nATOM   N NZ  . LYS    B 0 47  . 47  LYS    B NZ  95.64 1.0 +1 -1  True False False True  0 0 -1 False True  A47  372 -1.077  -4.27   -11.715 1 373\nATOM   N N   . LEU    B 0 48  . 48  LEU    B N   96.9  1.0 ?  -1  True False False True  0 0 -1 False True  A48  373 -3.259  -3.46   -5.179  1 374\nATOM   C CA  . LEU    B 0 48  . 48  LEU    B CA  96.9  1.0 ?  -1  True False False True  0 0 -1 False True  A48  374 -4.186  -2.345  -5.015  1 375\nATOM   C C   . LEU    B 0 48  . 48  LEU    B C   96.9  1.0 ?  -1  True False False True  0 0 -1 False True  A48  375 -3.787  -1.17   -5.902  1 376\nATOM   O O   . LEU    B 0 48  . 48  LEU    B O   96.9  1.0 ?  -1  True False False True  0 0 -1 False True  A48  376 -4.64   -0.555  -6.546  1 377\nATOM   C CB  . LEU    B 0 48  . 48  LEU    B CB  96.9  1.0 ?  -1  True False False True  0 0 -1 False True  A48  377 -4.237  -1.901  -3.551  1 378\nATOM   C CG  . LEU    B 0 48  . 48  LEU    B CG  96.9  1.0 ?  -1  True False False True  0 0 -1 False True  A48  378 -4.628  -2.971  -2.531  1 379\nATOM   C CD1 . LEU    B 0 48  . 48  LEU    B CD1 96.9  1.0 ?  -1  True False False True  0 0 -1 False True  A48  379 -4.446  -2.442  -1.112  1 380\nATOM   C CD2 . LEU    B 0 48  . 48  LEU    B CD2 96.9  1.0 ?  -1  True False False True  0 0 -1 False True  A48  380 -6.066  -3.426  -2.757  1 381\nATOM   N N   . ALA    B 0 49  . 49  ALA    B N   97.19 1.0 ?  -1  True False False True  0 0 -1 False True  A49  381 -2.527  -0.817  -5.837  1 382\nATOM   C CA  . ALA    B 0 49  . 49  ALA    B CA  97.19 1.0 ?  -1  True False False True  0 0 -1 False True  A49  382 -1.981  0.384   -6.466  1 383\nATOM   C C   . ALA    B 0 49  . 49  ALA    B C   97.19 1.0 ?  -1  True False False True  0 0 -1 False True  A49  383 -0.457  0.332   -6.516  1 384\nATOM   O O   . ALA    B 0 49  . 49  ALA    B O   97.19 1.0 ?  -1  True False False True  0 0 -1 False True  A49  384 0.159   -0.561  -5.93   1 385\nATOM   C CB  . ALA    B 0 49  . 49  ALA    B CB  97.19 1.0 ?  -1  True False False True  0 0 -1 False True  A49  385 -2.445  1.633   -5.721  1 386\nATOM   N N   . ALA    B 0 50  . 50  ALA    B N   97.52 1.0 ?  -1  True False False True  0 0 -1 False True  A50  386 0.205   1.227   -7.227  1 387\nATOM   C CA  . ALA    B 0 50  . 50  ALA    B CA  97.52 1.0 ?  -1  True False False True  0 0 -1 False True  A50  387 1.664   1.268   -7.286  1 388\nATOM   C C   . ALA    B 0 50  . 50  ALA    B C   97.52 1.0 ?  -1  True False False True  0 0 -1 False True  A50  388 2.163   2.683   -7.559  1 389\nATOM   O O   . ALA    B 0 50  . 50  ALA    B O   97.52 1.0 ?  -1  True False False True  0 0 -1 False True  A50  389 1.406   3.534   -8.034  1 390\nATOM   C CB  . ALA    B 0 50  . 50  ALA    B CB  97.52 1.0 ?  -1  True False False True  0 0 -1 False True  A50  390 2.181   0.309   -8.356  1 391\nATOM   N N   . PHE    B 0 51  . 51  PHE    B N   96.84 1.0 ?  -1  True False False True  0 0 -1 False True  A51  391 3.458   2.943   -7.198  1 392\nATOM   C CA  . PHE    B 0 51  . 51  PHE    B CA  96.84 1.0 ?  -1  True False False True  0 0 -1 False True  A51  392 4.24    4.098   -7.621  1 393\nATOM   C C   . PHE    B 0 51  . 51  PHE    B C   96.84 1.0 ?  -1  True False False True  0 0 -1 False True  A51  393 5.453   3.662   -8.435  1 394\nATOM   O O   . PHE    B 0 51  . 51  PHE    B O   96.84 1.0 ?  -1  True False False True  0 0 -1 False True  A51  394 6.369   3.031   -7.904  1 395\nATOM   C CB  . PHE    B 0 51  . 51  PHE    B CB  96.84 1.0 ?  -1  True False False True  0 0 -1 False True  A51  395 4.696   4.912   -6.408  1 396\nATOM   C CG  . PHE    B 0 51  . 51  PHE    B CG  96.84 1.0 ?  -1  True False False True  0 0 -1 False True  A51  396 5.541   6.103   -6.761  1 397\nATOM   C CD1 . PHE    B 0 51  . 51  PHE    B CD1 96.84 1.0 ?  -1  True False False True  0 0 -1 False True  A51  397 4.959   7.338   -7.002  1 398\nATOM   C CD2 . PHE    B 0 51  . 51  PHE    B CD2 96.84 1.0 ?  -1  True False False True  0 0 -1 False True  A51  398 6.92    5.99    -6.852  1 399\nATOM   C CE1 . PHE    B 0 51  . 51  PHE    B CE1 96.84 1.0 ?  -1  True False False True  0 0 -1 False True  A51  399 5.736   8.434   -7.326  1 400\nATOM   C CE2 . PHE    B 0 51  . 51  PHE    B CE2 96.84 1.0 ?  -1  True False False True  0 0 -1 False True  A51  400 7.699   7.084   -7.175  1 401\nATOM   C CZ  . PHE    B 0 51  . 51  PHE    B CZ  96.84 1.0 ?  -1  True False False True  0 0 -1 False True  A51  401 7.106   8.307   -7.412  1 402\nATOM   N N   . PRO    B 0 52  . 52  PRO    B N   94.78 1.0 ?  -1  True False False True  0 0 -1 False True  A52  402 5.619   4.215   -9.653  1 403\nATOM   C CA  . PRO    B 0 52  . 52  PRO    B CA  94.78 1.0 ?  -1  True False False True  0 0 -1 False True  A52  403 4.673   5.192   -10.199 1 404\nATOM   C C   . PRO    B 0 52  . 52  PRO    B C   94.78 1.0 ?  -1  True False False True  0 0 -1 False True  A52  404 3.322   4.574   -10.55  1 405\nATOM   O O   . PRO    B 0 52  . 52  PRO    B O   94.78 1.0 ?  -1  True False False True  0 0 -1 False True  A52  405 3.204   3.349   -10.64  1 406\nATOM   C CB  . PRO    B 0 52  . 52  PRO    B CB  94.78 1.0 ?  -1  True False False True  0 0 -1 False True  A52  406 5.397   5.697   -11.451 1 407\nATOM   C CG  . PRO    B 0 52  . 52  PRO    B CG  94.78 1.0 ?  -1  True False False True  0 0 -1 False True  A52  407 6.839   5.46    -11.16  1 408\nATOM   C CD  . PRO    B 0 52  . 52  PRO    B CD  94.78 1.0 ?  -1  True False False True  0 0 -1 False True  A52  408 6.859   4.163   -10.396 1 409\nATOM   N N   . GLU    B 0 53  . 53  GLU    B N   93.98 1.0 ?  -1  True False False True  0 0 -1 False True  A53  409 2.236   5.445   -10.731 1 410\nATOM   C CA  . GLU    B 0 53  . 53  GLU    B CA  93.98 1.0 ?  -1  True False False True  0 0 -1 False True  A53  410 0.865   4.992   -10.95  1 411\nATOM   C C   . GLU    B 0 53  . 53  GLU    B C   93.98 1.0 ?  -1  True False False True  0 0 -1 False True  A53  411 0.79    3.996   -12.104 1 412\nATOM   O O   . GLU    B 0 53  . 53  GLU    B O   93.98 1.0 ?  -1  True False False True  0 0 -1 False True  A53  412 1.391   4.212   -13.158 1 413\nATOM   C CB  . GLU    B 0 53  . 53  GLU    B CB  93.98 1.0 ?  -1  True False False True  0 0 -1 False True  A53  413 -0.052  6.185   -11.233 1 414\nATOM   C CG  . GLU    B 0 53  . 53  GLU    B CG  93.98 1.0 ?  -1  True False False True  0 0 -1 False True  A53  414 -1.531  5.835   -11.318 1 415\nATOM   C CD  . GLU    B 0 53  . 53  GLU    B CD  93.98 1.0 ?  -1  True False False True  0 0 -1 False True  A53  415 -2.387  7.006   -11.713 1 416\nATOM   O OE1 . GLU    B 0 53  . 53  GLU    B OE1 93.98 1.0 ?  -1  True False False True  0 0 -1 False True  A53  416 -1.844  7.998   -12.136 1 417\nATOM   O OE2 . GLU    B 0 53  . 53  GLU    B OE2 93.98 1.0 ?  -1  True False False True  0 0 -1 False True  A53  417 -3.585  6.907   -11.592 1 418\nATOM   N N   . ASP    B 0 54  . 54  ASP    B N   92.84 1.0 ?  -1  True False False True  0 0 -1 False True  A54  418 0.13    2.867   -11.872 1 419\nATOM   C CA  . ASP    B 0 54  . 54  ASP    B CA  92.84 1.0 ?  -1  True False False True  0 0 -1 False True  A54  419 -0.118  1.813   -12.85  1 420\nATOM   C C   . ASP    B 0 54  . 54  ASP    B C   92.84 1.0 ?  -1  True False False True  0 0 -1 False True  A54  420 -1.467  2.007   -13.538 1 421\nATOM   O O   . ASP    B 0 54  . 54  ASP    B O   92.84 1.0 ?  -1  True False False True  0 0 -1 False True  A54  421 -2.514  1.725   -12.953 1 422\nATOM   C CB  . ASP    B 0 54  . 54  ASP    B CB  92.84 1.0 ?  -1  True False False True  0 0 -1 False True  A54  422 -0.071  0.438   -12.18  1 423\nATOM   C CG  . ASP    B 0 54  . 54  ASP    B CG  92.84 1.0 ?  -1  True False False True  0 0 -1 False True  A54  423 -0.241  -0.709  -13.167 1 424\nATOM   O OD1 . ASP    B 0 54  . 54  ASP    B OD1 92.84 1.0 ?  -1  True False False True  0 0 -1 False True  A54  424 -0.672  -0.46   -14.268 1 425\nATOM   O OD2 . ASP    B 0 54  . 54  ASP    B OD2 92.84 1.0 ?  -1  True False False True  0 0 -1 False True  A54  425 0.062   -1.823  -12.811 1 426\nATOM   N N   . ARG    B 0 55  . 55  ARG    B N   88.87 1.0 ?  -1  True False False True  0 0 -1 False True  A55  426 -1.517  2.447   -14.696 1 427\nATOM   C CA  . ARG    B 0 55  . 55  ARG    B CA  88.87 1.0 ?  -1  True False False True  0 0 -1 False True  A55  427 -2.75   2.752   -15.413 1 428\nATOM   C C   . ARG    B 0 55  . 55  ARG    B C   88.87 1.0 ?  -1  True False False True  0 0 -1 False True  A55  428 -3.061  1.678   -16.45  1 429\nATOM   O O   . ARG    B 0 55  . 55  ARG    B O   88.87 1.0 ?  -1  True False False True  0 0 -1 False True  A55  429 -3.981  1.833   -17.256 1 430\nATOM   C CB  . ARG    B 0 55  . 55  ARG    B CB  88.87 1.0 ?  -1  True False False True  0 0 -1 False True  A55  430 -2.649  4.106   -16.101 1 431\nATOM   C CG  . ARG    B 0 55  . 55  ARG    B CG  88.87 1.0 ?  -1  True False False True  0 0 -1 False True  A55  431 -2.488  5.29    -15.162 1 432\nATOM   C CD  . ARG    B 0 55  . 55  ARG    B CD  88.87 1.0 ?  -1  True False False True  0 0 -1 False True  A55  432 -2.445  6.577   -15.903 1 433\nATOM   N NE  . ARG    B 0 55  . 55  ARG    B NE  88.87 1.0 ?  -1  True False False True  0 0 -1 False True  A55  433 -2.31   7.714   -15.007 1 434\nATOM   C CZ  . ARG    B 0 55  . 55  ARG    B CZ  88.87 1.0 ?  -1  True False False True  0 0 -1 False True  A55  434 -2.335  9.003   -15.398 1 435\nATOM   N NH1 . ARG    B 0 55  . 55  ARG    B NH1 88.87 1.0 ?  -1  True False False True  0 0 -1 False True  A55  435 -2.489  9.302   -16.669 1 436\nATOM   N NH2 . ARG    B 0 55  . 55  ARG    B NH2 88.87 1.0 +1 -1  True False False True  0 0 -1 False True  A55  436 -2.203  9.968   -14.505 1 437\nATOM   N N   . SER    B 0 56  . 56  SER    B N   86.3  1.0 ?  -1  True False False True  0 0 -1 False True  A56  437 -2.36   0.647   -16.339 1 438\nATOM   C CA  . SER    B 0 56  . 56  SER    B CA  86.3  1.0 ?  -1  True False False True  0 0 -1 False True  A56  438 -2.513  -0.4    -17.343 1 439\nATOM   C C   . SER    B 0 56  . 56  SER    B C   86.3  1.0 ?  -1  True False False True  0 0 -1 False True  A56  439 -3.754  -1.245  -17.074 1 440\nATOM   O O   . SER    B 0 56  . 56  SER    B O   86.3  1.0 ?  -1  True False False True  0 0 -1 False True  A56  440 -4.3    -1.866  -17.99  1 441\nATOM   C CB  . SER    B 0 56  . 56  SER    B CB  86.3  1.0 ?  -1  True False False True  0 0 -1 False True  A56  441 -1.283  -1.286  -17.366 1 442\nATOM   O OG  . SER    B 0 56  . 56  SER    B OG  86.3  1.0 ?  -1  True False False True  0 0 -1 False True  A56  442 -1.258  -2.139  -16.255 1 443\nATOM   N N   . GLN    B 0 57  . 57  GLN    B N   86.27 1.0 ?  -1  True False False True  0 0 -1 False True  A57  443 -4.322  -1.286  -15.827 1 444\nATOM   C CA  . GLN    B 0 57  . 57  GLN    B CA  86.27 1.0 ?  -1  True False False True  0 0 -1 False True  A57  444 -5.427  -2.167  -15.467 1 445\nATOM   C C   . GLN    B 0 57  . 57  GLN    B C   86.27 1.0 ?  -1  True False False True  0 0 -1 False True  A57  445 -6.769  -1.453  -15.613 1 446\nATOM   O O   . GLN    B 0 57  . 57  GLN    B O   86.27 1.0 ?  -1  True False False True  0 0 -1 False True  A57  446 -7.036  -0.474  -14.912 1 447\nATOM   C CB  . GLN    B 0 57  . 57  GLN    B CB  86.27 1.0 ?  -1  True False False True  0 0 -1 False True  A57  447 -5.259  -2.679  -14.033 1 448\nATOM   C CG  . GLN    B 0 57  . 57  GLN    B CG  86.27 1.0 ?  -1  True False False True  0 0 -1 False True  A57  448 -6.461  -3.438  -13.499 1 449\nATOM   C CD  . GLN    B 0 57  . 57  GLN    B CD  86.27 1.0 ?  -1  True False False True  0 0 -1 False True  A57  449 -6.682  -4.755  -14.22  1 450\nATOM   O OE1 . GLN    B 0 57  . 57  GLN    B OE1 86.27 1.0 ?  -1  True False False True  0 0 -1 False True  A57  450 -5.82   -5.638  -14.205 1 451\nATOM   N NE2 . GLN    B 0 57  . 57  GLN    B NE2 86.27 1.0 ?  -1  True False False True  0 0 -1 False True  A57  451 -7.839  -4.893  -14.856 1 452\nATOM   N N   . PRO    B 0 58  . 58  PRO    B N   86.29 1.0 ?  -1  True False False True  0 0 -1 False True  A58  452 -7.54   -1.863  -16.647 1 453\nATOM   C CA  . PRO    B 0 58  . 58  PRO    B CA  86.29 1.0 ?  -1  True False False True  0 0 -1 False True  A58  453 -8.842  -1.212  -16.81  1 454\nATOM   C C   . PRO    B 0 58  . 58  PRO    B C   86.29 1.0 ?  -1  True False False True  0 0 -1 False True  A58  454 -9.825  -1.571  -15.698 1 455\nATOM   O O   . PRO    B 0 58  . 58  PRO    B O   86.29 1.0 ?  -1  True False False True  0 0 -1 False True  A58  455 -9.672  -2.608  -15.045 1 456\nATOM   C CB  . PRO    B 0 58  . 58  PRO    B CB  86.29 1.0 ?  -1  True False False True  0 0 -1 False True  A58  456 -9.332  -1.737  -18.162 1 457\nATOM   C CG  . PRO    B 0 58  . 58  PRO    B CG  86.29 1.0 ?  -1  True False False True  0 0 -1 False True  A58  457 -8.629  -3.043  -18.342 1 458\nATOM   C CD  . PRO    B 0 58  . 58  PRO    B CD  86.29 1.0 ?  -1  True False False True  0 0 -1 False True  A58  458 -7.305  -2.974  -17.636 1 459\nATOM   N N   . GLY    B 0 59  . 59  GLY    B N   88.64 1.0 ?  -1  True False False True  0 0 -1 False True  A59  459 -10.749 -0.635  -15.334 1 460\nATOM   C CA  . GLY    B 0 59  . 59  GLY    B CA  88.64 1.0 ?  -1  True False False True  0 0 -1 False True  A59  460 -11.714 -0.972  -14.299 1 461\nATOM   C C   . GLY    B 0 59  . 59  GLY    B C   88.64 1.0 ?  -1  True False False True  0 0 -1 False True  A59  461 -11.113 -0.987  -12.906 1 462\nATOM   O O   . GLY    B 0 59  . 59  GLY    B O   88.64 1.0 ?  -1  True False False True  0 0 -1 False True  A59  462 -11.534 -1.769  -12.051 1 463\nATOM   N N   . GLN    B 0 60  . 60  GLN    B N   93.26 1.0 ?  -1  True False False True  0 0 -1 False True  A60  463 -9.969  -0.135  -12.755 1 464\nATOM   C CA  . GLN    B 0 60  . 60  GLN    B CA  93.26 1.0 ?  -1  True False False True  0 0 -1 False True  A60  464 -9.275  -0.118  -11.473 1 465\nATOM   C C   . GLN    B 0 60  . 60  GLN    B C   93.26 1.0 ?  -1  True False False True  0 0 -1 False True  A60  465 -10.103 0.593   -10.407 1 466\nATOM   O O   . GLN    B 0 60  . 60  GLN    B O   93.26 1.0 ?  -1  True False False True  0 0 -1 False True  A60  466 -10.966 1.412   -10.729 1 467\nATOM   C CB  . GLN    B 0 60  . 60  GLN    B CB  93.26 1.0 ?  -1  True False False True  0 0 -1 False True  A60  467 -7.909  0.559   -11.612 1 468\nATOM   C CG  . GLN    B 0 60  . 60  GLN    B CG  93.26 1.0 ?  -1  True False False True  0 0 -1 False True  A60  468 -7.128  0.66    -10.312 1 469\nATOM   C CD  . GLN    B 0 60  . 60  GLN    B CD  93.26 1.0 ?  -1  True False False True  0 0 -1 False True  A60  469 -6.799  -0.7    -9.728  1 470\nATOM   O OE1 . GLN    B 0 60  . 60  GLN    B OE1 93.26 1.0 ?  -1  True False False True  0 0 -1 False True  A60  470 -7.679  -1.407  -9.23   1 471\nATOM   N NE2 . GLN    B 0 60  . 60  GLN    B NE2 93.26 1.0 ?  -1  True False False True  0 0 -1 False True  A60  471 -5.526  -1.076  -9.785  1 472\nATOM   N N   . ASP    B 0 61  . 61  ASP    B N   96.12 1.0 ?  -1  True False False True  0 0 -1 False True  A61  472 -9.947  0.104   -9.196  1 473\nATOM   C CA  . ASP    B 0 61  . 61  ASP    B CA  96.12 1.0 ?  -1  True False False True  0 0 -1 False True  A61  473 -10.644 0.75    -8.088  1 474\nATOM   C C   . ASP    B 0 61  . 61  ASP    B C   96.12 1.0 ?  -1  True False False True  0 0 -1 False True  A61  474 -9.937  2.038   -7.672  1 475\nATOM   O O   . ASP    B 0 61  . 61  ASP    B O   96.12 1.0 ?  -1  True False False True  0 0 -1 False True  A61  475 -8.895  1.997   -7.013  1 476\nATOM   C CB  . ASP    B 0 61  . 61  ASP    B CB  96.12 1.0 ?  -1  True False False True  0 0 -1 False True  A61  476 -10.751 -0.2    -6.894  1 477\nATOM   C CG  . ASP    B 0 61  . 61  ASP    B CG  96.12 1.0 ?  -1  True False False True  0 0 -1 False True  A61  477 -11.624 0.347   -5.777  1 478\nATOM   O OD1 . ASP    B 0 61  . 61  ASP    B OD1 96.12 1.0 ?  -1  True False False True  0 0 -1 False True  A61  478 -11.805 1.581   -5.694  1 479\nATOM   O OD2 . ASP    B 0 61  . 61  ASP    B OD2 96.12 1.0 ?  -1  True False False True  0 0 -1 False True  A61  479 -12.133 -0.463  -4.973  1 480\nATOM   N N   . CYS    B 0 62  . 62  CYS    B N   95.64 1.0 ?  -1  True False False True  0 0 -1 False True  A62  480 -10.572 3.152   -7.897  1 481\nATOM   C CA  . CYS    B 0 62  . 62  CYS    B CA  95.64 1.0 ?  -1  True False False True  0 0 -1 False True  A62  481 -9.914  4.452   -7.832  1 482\nATOM   C C   . CYS    B 0 62  . 62  CYS    B C   95.64 1.0 ?  -1  True False False True  0 0 -1 False True  A62  482 -9.872  4.971   -6.4    1 483\nATOM   O O   . CYS    B 0 62  . 62  CYS    B O   95.64 1.0 ?  -1  True False False True  0 0 -1 False True  A62  483 -9.35   6.058   -6.144  1 484\nATOM   C CB  . CYS    B 0 62  . 62  CYS    B CB  95.64 1.0 ?  -1  True False False True  0 0 -1 False True  A62  484 -10.637 5.467   -8.718  1 485\nATOM   S SG  . CYS    B 0 62  . 62  CYS    B SG  95.64 1.0 ?  -1  True False False True  0 0 -1 False True  A62  485 -10.527 5.113   -10.488 1 486\nATOM   N N   . ARG    B 0 63  . 63  ARG    B N   97.46 1.0 ?  -1  True False False True  0 0 -1 False True  A63  486 -10.358 4.086   -5.499  1 487\nATOM   C CA  . ARG    B 0 63  . 63  ARG    B CA  97.46 1.0 ?  -1  True False False True  0 0 -1 False True  A63  487 -10.285 4.481   -4.097  1 488\nATOM   C C   . ARG    B 0 63  . 63  ARG    B C   97.46 1.0 ?  -1  True False False True  0 0 -1 False True  A63  488 -8.885  4.255   -3.536  1 489\nATOM   O O   . ARG    B 0 63  . 63  ARG    B O   97.46 1.0 ?  -1  True False False True  0 0 -1 False True  A63  489 -8.537  4.796   -2.484  1 490\nATOM   C CB  . ARG    B 0 63  . 63  ARG    B CB  97.46 1.0 ?  -1  True False False True  0 0 -1 False True  A63  490 -11.313 3.711   -3.267  1 491\nATOM   C CG  . ARG    B 0 63  . 63  ARG    B CG  97.46 1.0 ?  -1  True False False True  0 0 -1 False True  A63  491 -12.754 3.98    -3.666  1 492\nATOM   C CD  . ARG    B 0 63  . 63  ARG    B CD  97.46 1.0 ?  -1  True False False True  0 0 -1 False True  A63  492 -13.731 3.143   -2.852  1 493\nATOM   N NE  . ARG    B 0 63  . 63  ARG    B NE  97.46 1.0 ?  -1  True False False True  0 0 -1 False True  A63  493 -13.427 1.718   -2.943  1 494\nATOM   C CZ  . ARG    B 0 63  . 63  ARG    B CZ  97.46 1.0 ?  -1  True False False True  0 0 -1 False True  A63  494 -13.448 0.871   -1.918  1 495\nATOM   N NH1 . ARG    B 0 63  . 63  ARG    B NH1 97.46 1.0 ?  -1  True False False True  0 0 -1 False True  A63  495 -13.76  1.292   -0.697  1 496\nATOM   N NH2 . ARG    B 0 63  . 63  ARG    B NH2 97.46 1.0 +1 -1  True False False True  0 0 -1 False True  A63  496 -13.154 -0.406  -2.113  1 497\nATOM   N N   . PHE    B 0 64  . 64  PHE    B N   98.23 1.0 ?  -1  True False False True  0 0 -1 False True  A64  497 -8.157  3.479   -4.234  1 498\nATOM   C CA  . PHE    B 0 64  . 64  PHE    B CA  98.23 1.0 ?  -1  True False False True  0 0 -1 False True  A64  498 -6.845  3.076   -3.746  1 499\nATOM   C C   . PHE    B 0 64  . 64  PHE    B C   98.23 1.0 ?  -1  True False False True  0 0 -1 False True  A64  499 -5.74   3.848   -4.458  1 500\nATOM   O O   . PHE    B 0 64  . 64  PHE    B O   98.23 1.0 ?  -1  True False False True  0 0 -1 False True  A64  500 -5.418  3.559   -5.612  1 501\nATOM   C CB  . PHE    B 0 64  . 64  PHE    B CB  98.23 1.0 ?  -1  True False False True  0 0 -1 False True  A64  501 -6.637  1.573   -3.945  1 502\nATOM   C CG  . PHE    B 0 64  . 64  PHE    B CG  98.23 1.0 ?  -1  True False False True  0 0 -1 False True  A64  502 -7.549  0.72    -3.11   1 503\nATOM   C CD1 . PHE    B 0 64  . 64  PHE    B CD1 98.23 1.0 ?  -1  True False False True  0 0 -1 False True  A64  503 -8.833  0.424   -3.542  1 504\nATOM   C CD2 . PHE    B 0 64  . 64  PHE    B CD2 98.23 1.0 ?  -1  True False False True  0 0 -1 False True  A64  504 -7.125  0.212   -1.891  1 505\nATOM   C CE1 . PHE    B 0 64  . 64  PHE    B CE1 98.23 1.0 ?  -1  True False False True  0 0 -1 False True  A64  505 -9.673  -0.362  -2.775  1 506\nATOM   C CE2 . PHE    B 0 64  . 64  PHE    B CE2 98.23 1.0 ?  -1  True False False True  0 0 -1 False True  A64  506 -7.962  -0.574  -1.123  1 507\nATOM   C CZ  . PHE    B 0 64  . 64  PHE    B CZ  98.23 1.0 ?  -1  True False False True  0 0 -1 False True  A64  507 -9.238  -0.86   -1.566  1 508\nATOM   N N   . ARG    B 0 65  . 65  ARG    B N   98.05 1.0 ?  -1  True False False True  0 0 -1 False True  A65  508 -5.116  4.83    -3.725  1 509\nATOM   C CA  . ARG    B 0 65  . 65  ARG    B CA  98.05 1.0 ?  -1  True False False True  0 0 -1 False True  A65  509 -4.134  5.716   -4.341  1 510\nATOM   C C   . ARG    B 0 65  . 65  ARG    B C   98.05 1.0 ?  -1  True False False True  0 0 -1 False True  A65  510 -2.855  5.775   -3.512  1 511\nATOM   O O   . ARG    B 0 65  . 65  ARG    B O   98.05 1.0 ?  -1  True False False True  0 0 -1 False True  A65  511 -2.9    5.686   -2.284  1 512\nATOM   C CB  . ARG    B 0 65  . 65  ARG    B CB  98.05 1.0 ?  -1  True False False True  0 0 -1 False True  A65  512 -4.7    7.119   -4.497  1 513\nATOM   C CG  . ARG    B 0 65  . 65  ARG    B CG  98.05 1.0 ?  -1  True False False True  0 0 -1 False True  A65  513 -5.968  7.208   -5.332  1 514\nATOM   C CD  . ARG    B 0 65  . 65  ARG    B CD  98.05 1.0 ?  -1  True False False True  0 0 -1 False True  A65  514 -5.689  7.014   -6.777  1 515\nATOM   N NE  . ARG    B 0 65  . 65  ARG    B NE  98.05 1.0 ?  -1  True False False True  0 0 -1 False True  A65  515 -6.875  7.226   -7.592  1 516\nATOM   C CZ  . ARG    B 0 65  . 65  ARG    B CZ  98.05 1.0 ?  -1  True False False True  0 0 -1 False True  A65  516 -6.861  7.429   -8.924  1 517\nATOM   N NH1 . ARG    B 0 65  . 65  ARG    B NH1 98.05 1.0 ?  -1  True False False True  0 0 -1 False True  A65  517 -5.719  7.445   -9.575  1 518\nATOM   N NH2 . ARG    B 0 65  . 65  ARG    B NH2 98.05 1.0 +1 -1  True False False True  0 0 -1 False True  A65  518 -7.996  7.613   -9.576  1 519\nATOM   N N   . VAL    B 0 66  . 66  VAL    B N   98.32 1.0 ?  -1  True False False True  0 0 -1 False True  A66  519 -1.736  5.954   -4.211  1 520\nATOM   C CA  . VAL    B 0 66  . 66  VAL    B CA  98.32 1.0 ?  -1  True False False True  0 0 -1 False True  A66  520 -0.423  6.108   -3.592  1 521\nATOM   C C   . VAL    B 0 66  . 66  VAL    B C   98.32 1.0 ?  -1  True False False True  0 0 -1 False True  A66  521 0.2     7.433   -4.026  1 522\nATOM   O O   . VAL    B 0 66  . 66  VAL    B O   98.32 1.0 ?  -1  True False False True  0 0 -1 False True  A66  522 0.32    7.706   -5.224  1 523\nATOM   C CB  . VAL    B 0 66  . 66  VAL    B CB  98.32 1.0 ?  -1  True False False True  0 0 -1 False True  A66  523 0.504   4.943   -3.987  1 524\nATOM   C CG1 . VAL    B 0 66  . 66  VAL    B CG1 98.32 1.0 ?  -1  True False False True  0 0 -1 False True  A66  524 1.861   5.092   -3.316  1 525\nATOM   C CG2 . VAL    B 0 66  . 66  VAL    B CG2 98.32 1.0 ?  -1  True False False True  0 0 -1 False True  A66  525 -0.141  3.618   -3.611  1 526\nATOM   N N   . THR    B 0 67  . 67  THR    B N   97.86 1.0 ?  -1  True False False True  0 0 -1 False True  A67  526 0.614   8.238   -3.013  1 527\nATOM   C CA  . THR    B 0 67  . 67  THR    B CA  97.86 1.0 ?  -1  True False False True  0 0 -1 False True  A67  527 1.226   9.529   -3.307  1 528\nATOM   C C   . THR    B 0 67  . 67  THR    B C   97.86 1.0 ?  -1  True False False True  0 0 -1 False True  A67  528 2.582   9.654   -2.617  1 529\nATOM   O O   . THR    B 0 67  . 67  THR    B O   97.86 1.0 ?  -1  True False False True  0 0 -1 False True  A67  529 2.802   9.064   -1.558  1 530\nATOM   C CB  . THR    B 0 67  . 67  THR    B CB  97.86 1.0 ?  -1  True False False True  0 0 -1 False True  A67  530 0.312   10.69   -2.873  1 531\nATOM   O OG1 . THR    B 0 67  . 67  THR    B OG1 97.86 1.0 ?  -1  True False False True  0 0 -1 False True  A67  531 0.13    10.654  -1.452  1 532\nATOM   C CG2 . THR    B 0 67  . 67  THR    B CG2 97.86 1.0 ?  -1  True False False True  0 0 -1 False True  A67  532 -1.043  10.586  -3.557  1 533\nATOM   N N   . GLN    B 0 68  . 68  GLN    B N   98.26 1.0 ?  -1  True False False True  0 0 -1 False True  A68  533 3.449   10.46   -3.273  1 534\nATOM   C CA  . GLN    B 0 68  . 68  GLN    B CA  98.26 1.0 ?  -1  True False False True  0 0 -1 False True  A68  534 4.783   10.634  -2.707  1 535\nATOM   C C   . GLN    B 0 68  . 68  GLN    B C   98.26 1.0 ?  -1  True False False True  0 0 -1 False True  A68  535 4.883   11.944  -1.929  1 536\nATOM   O O   . GLN    B 0 68  . 68  GLN    B O   98.26 1.0 ?  -1  True False False True  0 0 -1 False True  A68  536 4.387   12.978  -2.379  1 537\nATOM   C CB  . GLN    B 0 68  . 68  GLN    B CB  98.26 1.0 ?  -1  True False False True  0 0 -1 False True  A68  537 5.843   10.598  -3.811  1 538\nATOM   C CG  . GLN    B 0 68  . 68  GLN    B CG  98.26 1.0 ?  -1  True False False True  0 0 -1 False True  A68  538 7.273   10.582  -3.3    1 539\nATOM   C CD  . GLN    B 0 68  . 68  GLN    B CD  98.26 1.0 ?  -1  True False False True  0 0 -1 False True  A68  539 8.285   10.4    -4.415  1 540\nATOM   O OE1 . GLN    B 0 68  . 68  GLN    B OE1 98.26 1.0 ?  -1  True False False True  0 0 -1 False True  A68  540 8.019   10.733  -5.574  1 541\nATOM   N NE2 . GLN    B 0 68  . 68  GLN    B NE2 98.26 1.0 ?  -1  True False False True  0 0 -1 False True  A68  541 9.452   9.868   -4.073  1 542\nATOM   N N   . LEU    B 0 69  . 69  LEU    B N   98.13 1.0 ?  -1  True False False True  0 0 -1 False True  A69  542 5.513   11.792  -0.727  1 543\nATOM   C CA  . LEU    B 0 69  . 69  LEU    B CA  98.13 1.0 ?  -1  True False False True  0 0 -1 False True  A69  543 5.693   12.985  0.093   1 544\nATOM   C C   . LEU    B 0 69  . 69  LEU    B C   98.13 1.0 ?  -1  True False False True  0 0 -1 False True  A69  544 6.962   13.73   -0.304  1 545\nATOM   O O   . LEU    B 0 69  . 69  LEU    B O   98.13 1.0 ?  -1  True False False True  0 0 -1 False True  A69  545 7.876   13.143  -0.887  1 546\nATOM   C CB  . LEU    B 0 69  . 69  LEU    B CB  98.13 1.0 ?  -1  True False False True  0 0 -1 False True  A69  546 5.748   12.612  1.577   1 547\nATOM   C CG  . LEU    B 0 69  . 69  LEU    B CG  98.13 1.0 ?  -1  True False False True  0 0 -1 False True  A69  547 4.532   11.873  2.137   1 548\nATOM   C CD1 . LEU    B 0 69  . 69  LEU    B CD1 98.13 1.0 ?  -1  True False False True  0 0 -1 False True  A69  548 4.663   11.704  3.646   1 549\nATOM   C CD2 . LEU    B 0 69  . 69  LEU    B CD2 98.13 1.0 ?  -1  True False False True  0 0 -1 False True  A69  549 3.246   12.614  1.785   1 550\nATOM   N N   . PRO    B 0 70  . 70  PRO    B N   97.72 1.0 ?  -1  True False False True  0 0 -1 False True  A70  550 7.101   15.071  0.129   1 551\nATOM   C CA  . PRO    B 0 70  . 70  PRO    B CA  97.72 1.0 ?  -1  True False False True  0 0 -1 False True  A70  551 8.184   15.938  -0.34   1 552\nATOM   C C   . PRO    B 0 70  . 70  PRO    B C   97.72 1.0 ?  -1  True False False True  0 0 -1 False True  A70  552 9.567   15.406  0.03    1 553\nATOM   O O   . PRO    B 0 70  . 70  PRO    B O   97.72 1.0 ?  -1  True False False True  0 0 -1 False True  A70  553 10.556  15.732  -0.632  1 554\nATOM   C CB  . PRO    B 0 70  . 70  PRO    B CB  97.72 1.0 ?  -1  True False False True  0 0 -1 False True  A70  554 7.887   17.261  0.373   1 555\nATOM   C CG  . PRO    B 0 70  . 70  PRO    B CG  97.72 1.0 ?  -1  True False False True  0 0 -1 False True  A70  555 6.401   17.29   0.486   1 556\nATOM   C CD  . PRO    B 0 70  . 70  PRO    B CD  97.72 1.0 ?  -1  True False False True  0 0 -1 False True  A70  556 6.02    15.865  0.789   1 557\nATOM   N N   . ASN    B 0 71  . 71  ASN    B N   97.21 1.0 ?  -1  True False False True  0 0 -1 False True  A71  557 9.569   14.551  1.06    1 558\nATOM   C CA  . ASN    B 0 71  . 71  ASN    B CA  97.21 1.0 ?  -1  True False False True  0 0 -1 False True  A71  558 10.864  14.08   1.542   1 559\nATOM   C C   . ASN    B 0 71  . 71  ASN    B C   97.21 1.0 ?  -1  True False False True  0 0 -1 False True  A71  559 11.419  12.966  0.66    1 560\nATOM   O O   . ASN    B 0 71  . 71  ASN    B O   97.21 1.0 ?  -1  True False False True  0 0 -1 False True  A71  560 12.554  12.526  0.85    1 561\nATOM   C CB  . ASN    B 0 71  . 71  ASN    B CB  97.21 1.0 ?  -1  True False False True  0 0 -1 False True  A71  561 10.756  13.614  2.983   1 562\nATOM   C CG  . ASN    B 0 71  . 71  ASN    B CG  97.21 1.0 ?  -1  True False False True  0 0 -1 False True  A71  562 9.9     12.387  3.131   1 563\nATOM   O OD1 . ASN    B 0 71  . 71  ASN    B OD1 97.21 1.0 ?  -1  True False False True  0 0 -1 False True  A71  563 9.63    11.682  2.152   1 564\nATOM   N ND2 . ASN    B 0 71  . 71  ASN    B ND2 97.21 1.0 ?  -1  True False False True  0 0 -1 False True  A71  564 9.469   12.118  4.337   1 565\nATOM   N N   . GLY    B 0 72  . 72  GLY    B N   95.68 1.0 ?  -1  True False False True  0 0 -1 False True  A72  565 10.66   12.518  -0.297  1 566\nATOM   C CA  . GLY    B 0 72  . 72  GLY    B CA  95.68 1.0 ?  -1  True False False True  0 0 -1 False True  A72  566 11.144  11.614  -1.327  1 567\nATOM   C C   . GLY    B 0 72  . 72  GLY    B C   95.68 1.0 ?  -1  True False False True  0 0 -1 False True  A72  567 11.17   10.162  -0.885  1 568\nATOM   O O   . GLY    B 0 72  . 72  GLY    B O   95.68 1.0 ?  -1  True False False True  0 0 -1 False True  A72  568 11.282  9.257   -1.715  1 569\nATOM   N N   . ARG    B 0 73  . 73  ARG    B N   97.44 1.0 ?  -1  True False False True  0 0 -1 False True  A73  569 10.95   9.875   0.417   1 570\nATOM   C CA  . ARG    B 0 73  . 73  ARG    B CA  97.44 1.0 ?  -1  True False False True  0 0 -1 False True  A73  570 11.115  8.528   0.953   1 571\nATOM   C C   . ARG    B 0 73  . 73  ARG    B C   97.44 1.0 ?  -1  True False False True  0 0 -1 False True  A73  571 9.782   7.96    1.427   1 572\nATOM   O O   . ARG    B 0 73  . 73  ARG    B O   97.44 1.0 ?  -1  True False False True  0 0 -1 False True  A73  572 9.554   6.75    1.35    1 573\nATOM   C CB  . ARG    B 0 73  . 73  ARG    B CB  97.44 1.0 ?  -1  True False False True  0 0 -1 False True  A73  573 12.104  8.529   2.11    1 574\nATOM   C CG  . ARG    B 0 73  . 73  ARG    B CG  97.44 1.0 ?  -1  True False False True  0 0 -1 False True  A73  574 13.542  8.832   1.721   1 575\nATOM   C CD  . ARG    B 0 73  . 73  ARG    B CD  97.44 1.0 ?  -1  True False False True  0 0 -1 False True  A73  575 14.428  8.91    2.912   1 576\nATOM   N NE  . ARG    B 0 73  . 73  ARG    B NE  97.44 1.0 ?  -1  True False False True  0 0 -1 False True  A73  576 15.822  9.088   2.539   1 577\nATOM   C CZ  . ARG    B 0 73  . 73  ARG    B CZ  97.44 1.0 ?  -1  True False False True  0 0 -1 False True  A73  577 16.393  10.275  2.256   1 578\nATOM   N NH1 . ARG    B 0 73  . 73  ARG    B NH1 97.44 1.0 ?  -1  True False False True  0 0 -1 False True  A73  578 15.677  11.377  2.307   1 579\nATOM   N NH2 . ARG    B 0 73  . 73  ARG    B NH2 97.44 1.0 +1 -1  True False False True  0 0 -1 False True  A73  579 17.671  10.332  1.927   1 580\nATOM   N N   . ASP    B 0 74  . 74  ASP    B N   98.44 1.0 ?  -1  True False False True  0 0 -1 False True  A74  580 8.947   8.836   1.92    1 581\nATOM   C CA  . ASP    B 0 74  . 74  ASP    B CA  98.44 1.0 ?  -1  True False False True  0 0 -1 False True  A74  581 7.684   8.401   2.507   1 582\nATOM   C C   . ASP    B 0 74  . 74  ASP    B C   98.44 1.0 ?  -1  True False False True  0 0 -1 False True  A74  582 6.535   8.549   1.511   1 583\nATOM   O O   . ASP    B 0 74  . 74  ASP    B O   98.44 1.0 ?  -1  True False False True  0 0 -1 False True  A74  583 6.465   9.538   0.779   1 584\nATOM   C CB  . ASP    B 0 74  . 74  ASP    B CB  98.44 1.0 ?  -1  True False False True  0 0 -1 False True  A74  584 7.376   9.202   3.774   1 585\nATOM   C CG  . ASP    B 0 74  . 74  ASP    B CG  98.44 1.0 ?  -1  True False False True  0 0 -1 False True  A74  585 8.334   8.894   4.917   1 586\nATOM   O OD1 . ASP    B 0 74  . 74  ASP    B OD1 98.44 1.0 ?  -1  True False False True  0 0 -1 False True  A74  586 8.955   7.858   4.883   1 587\nATOM   O OD2 . ASP    B 0 74  . 74  ASP    B OD2 98.44 1.0 ?  -1  True False False True  0 0 -1 False True  A74  587 8.435   9.697   5.814   1 588\nATOM   N N   . PHE    B 0 75  . 75  PHE    B N   98.61 1.0 ?  -1  True False False True  0 0 -1 False True  A75  588 5.659   7.516   1.543   1 589\nATOM   C CA  . PHE    B 0 75  . 75  PHE    B CA  98.61 1.0 ?  -1  True False False True  0 0 -1 False True  A75  589 4.469   7.52    0.702   1 590\nATOM   C C   . PHE    B 0 75  . 75  PHE    B C   98.61 1.0 ?  -1  True False False True  0 0 -1 False True  A75  590 3.21    7.356   1.545   1 591\nATOM   O O   . PHE    B 0 75  . 75  PHE    B O   98.61 1.0 ?  -1  True False False True  0 0 -1 False True  A75  591 3.242   6.72    2.601   1 592\nATOM   C CB  . PHE    B 0 75  . 75  PHE    B CB  98.61 1.0 ?  -1  True False False True  0 0 -1 False True  A75  592 4.545   6.402   -0.34   1 593\nATOM   C CG  . PHE    B 0 75  . 75  PHE    B CG  98.61 1.0 ?  -1  True False False True  0 0 -1 False True  A75  593 5.649   6.582   -1.343  1 594\nATOM   C CD1 . PHE    B 0 75  . 75  PHE    B CD1 98.61 1.0 ?  -1  True False False True  0 0 -1 False True  A75  594 6.964   6.298   -1.006  1 595\nATOM   C CD2 . PHE    B 0 75  . 75  PHE    B CD2 98.61 1.0 ?  -1  True False False True  0 0 -1 False True  A75  595 5.375   7.035   -2.624  1 596\nATOM   C CE1 . PHE    B 0 75  . 75  PHE    B CE1 98.61 1.0 ?  -1  True False False True  0 0 -1 False True  A75  596 7.981   6.463   -1.927  1 597\nATOM   C CE2 . PHE    B 0 75  . 75  PHE    B CE2 98.61 1.0 ?  -1  True False False True  0 0 -1 False True  A75  597 6.389   7.2     -3.548  1 598\nATOM   C CZ  . PHE    B 0 75  . 75  PHE    B CZ  98.61 1.0 ?  -1  True False False True  0 0 -1 False True  A75  598 7.693   6.914   -3.198  1 599\nATOM   N N   . HIS    B 0 76  . 76  HIS    B N   98.59 1.0 ?  -1  True False False True  0 0 -1 False True  A76  599 2.128   8.004   1.08    1 600\nATOM   C CA  . HIS    B 0 76  . 76  HIS    B CA  98.59 1.0 ?  -1  True False False True  0 0 -1 False True  A76  600 0.834   7.749   1.702   1 601\nATOM   C C   . HIS    B 0 76  . 76  HIS    B C   98.59 1.0 ?  -1  True False False True  0 0 -1 False True  A76  601 -0.004  6.794   0.858   1 602\nATOM   O O   . HIS    B 0 76  . 76  HIS    B O   98.59 1.0 ?  -1  True False False True  0 0 -1 False True  A76  602 -0.042  6.912   -0.368  1 603\nATOM   C CB  . HIS    B 0 76  . 76  HIS    B CB  98.59 1.0 ?  -1  True False False True  0 0 -1 False True  A76  603 0.077   9.06    1.92    1 604\nATOM   C CG  . HIS    B 0 76  . 76  HIS    B CG  98.59 1.0 ?  -1  True False False True  0 0 -1 False True  A76  604 0.524   9.818   3.129   1 605\nATOM   N ND1 . HIS    B 0 76  . 76  HIS    B ND1 98.59 1.0 +1 -1  True False False True  0 0 -1 False True  A76  605 0.027   11.061  3.455   1 606\nATOM   C CD2 . HIS    B 0 76  . 76  HIS    B CD2 98.59 1.0 ?  -1  True False False True  0 0 -1 False True  A76  606 1.423   9.505   4.091   1 607\nATOM   C CE1 . HIS    B 0 76  . 76  HIS    B CE1 98.59 1.0 ?  -1  True False False True  0 0 -1 False True  A76  607 0.602   11.481  4.569   1 608\nATOM   N NE2 . HIS    B 0 76  . 76  HIS    B NE2 98.59 1.0 ?  -1  True False False True  0 0 -1 False True  A76  608 1.454   10.555  4.975   1 609\nATOM   N N   . MET    B 0 77  . 77  MET    B N   98.69 1.0 ?  -1  True False False True  0 0 -1 False True  A77  609 -0.551  5.745   1.53    1 610\nATOM   C CA  . MET    B 0 77  . 77  MET    B CA  98.69 1.0 ?  -1  True False False True  0 0 -1 False True  A77  610 -1.364  4.73    0.867   1 611\nATOM   C C   . MET    B 0 77  . 77  MET    B C   98.69 1.0 ?  -1  True False False True  0 0 -1 False True  A77  611 -2.769  4.684   1.458   1 612\nATOM   O O   . MET    B 0 77  . 77  MET    B O   98.69 1.0 ?  -1  True False False True  0 0 -1 False True  A77  612 -2.999  4.02    2.47    1 613\nATOM   C CB  . MET    B 0 77  . 77  MET    B CB  98.69 1.0 ?  -1  True False False True  0 0 -1 False True  A77  613 -0.693  3.362   0.975   1 614\nATOM   C CG  . MET    B 0 77  . 77  MET    B CG  98.69 1.0 ?  -1  True False False True  0 0 -1 False True  A77  614 0.687   3.285   0.338   1 615\nATOM   S SD  . MET    B 0 77  . 77  MET    B SD  98.69 1.0 ?  -1  True False False True  0 0 -1 False True  A77  615 1.356   1.609   0.328   1 616\nATOM   C CE  . MET    B 0 77  . 77  MET    B CE  98.69 1.0 ?  -1  True False False True  0 0 -1 False True  A77  616 2.658   1.772   -0.89   1 617\nATOM   N N   . SER    B 0 78  . 78  SER    B N   98.43 1.0 ?  -1  True False False True  0 0 -1 False True  A78  617 -3.748  5.378   0.748   1 618\nATOM   C CA  . SER    B 0 78  . 78  SER    B CA  98.43 1.0 ?  -1  True False False True  0 0 -1 False True  A78  618 -5.049  5.684   1.335   1 619\nATOM   C C   . SER    B 0 78  . 78  SER    B C   98.43 1.0 ?  -1  True False False True  0 0 -1 False True  A78  619 -6.17   4.948   0.61    1 620\nATOM   O O   . SER    B 0 78  . 78  SER    B O   98.43 1.0 ?  -1  True False False True  0 0 -1 False True  A78  620 -6.089  4.72    -0.6    1 621\nATOM   C CB  . SER    B 0 78  . 78  SER    B CB  98.43 1.0 ?  -1  True False False True  0 0 -1 False True  A78  621 -5.302  7.178   1.29    1 622\nATOM   O OG  . SER    B 0 78  . 78  SER    B OG  98.43 1.0 ?  -1  True False False True  0 0 -1 False True  A78  622 -4.344  7.872   2.041   1 623\nATOM   N N   . VAL    B 0 79  . 79  VAL    B N   98.31 1.0 ?  -1  True False False True  0 0 -1 False True  A79  623 -7.118  4.545   1.367   1 624\nATOM   C CA  . VAL    B 0 79  . 79  VAL    B CA  98.31 1.0 ?  -1  True False False True  0 0 -1 False True  A79  624 -8.389  4.065   0.834   1 625\nATOM   C C   . VAL    B 0 79  . 79  VAL    B C   98.31 1.0 ?  -1  True False False True  0 0 -1 False True  A79  625 -9.452  5.152   0.976   1 626\nATOM   O O   . VAL    B 0 79  . 79  VAL    B O   98.31 1.0 ?  -1  True False False True  0 0 -1 False True  A79  626 -9.805  5.543   2.091   1 627\nATOM   C CB  . VAL    B 0 79  . 79  VAL    B CB  98.31 1.0 ?  -1  True False False True  0 0 -1 False True  A79  627 -8.844  2.794   1.576   1 628\nATOM   C CG1 . VAL    B 0 79  . 79  VAL    B CG1 98.31 1.0 ?  -1  True False False True  0 0 -1 False True  A79  628 -10.123 2.247   0.959   1 629\nATOM   C CG2 . VAL    B 0 79  . 79  VAL    B CG2 98.31 1.0 ?  -1  True False False True  0 0 -1 False True  A79  629 -7.738  1.75    1.539   1 630\nATOM   N N   . VAL    B 0 80  . 80  VAL    B N   97.72 1.0 ?  -1  True False False True  0 0 -1 False True  A80  630 -9.892  5.769   -0.162  1 631\nATOM   C CA  . VAL    B 0 80  . 80  VAL    B CA  97.72 1.0 ?  -1  True False False True  0 0 -1 False True  A80  631 -10.853 6.867   -0.172  1 632\nATOM   C C   . VAL    B 0 80  . 80  VAL    B C   97.72 1.0 ?  -1  True False False True  0 0 -1 False True  A80  632 -12.267 6.318   0.014   1 633\nATOM   O O   . VAL    B 0 80  . 80  VAL    B O   97.72 1.0 ?  -1  True False False True  0 0 -1 False True  A80  633 -12.676 5.39    -0.688  1 634\nATOM   C CB  . VAL    B 0 80  . 80  VAL    B CB  97.72 1.0 ?  -1  True False False True  0 0 -1 False True  A80  634 -10.768 7.65    -1.496  1 635\nATOM   C CG1 . VAL    B 0 80  . 80  VAL    B CG1 97.72 1.0 ?  -1  True False False True  0 0 -1 False True  A80  635 -11.827 8.742   -1.537  1 636\nATOM   C CG2 . VAL    B 0 80  . 80  VAL    B CG2 97.72 1.0 ?  -1  True False False True  0 0 -1 False True  A80  636 -9.377  8.242   -1.659  1 637\nATOM   N N   . ARG    B 0 81  . 81  ARG    B N   97.59 1.0 ?  -1  True False False True  0 0 -1 False True  A81  637 -12.89  6.83    1.031   1 638\nATOM   C CA  . ARG    B 0 81  . 81  ARG    B CA  97.59 1.0 ?  -1  True False False True  0 0 -1 False True  A81  638 -14.212 6.335   1.4     1 639\nATOM   C C   . ARG    B 0 81  . 81  ARG    B C   97.59 1.0 ?  -1  True False False True  0 0 -1 False True  A81  639 -14.204 4.819   1.566   1 640\nATOM   O O   . ARG    B 0 81  . 81  ARG    B O   97.59 1.0 ?  -1  True False False True  0 0 -1 False True  A81  640 -14.82  4.1     0.777   1 641\nATOM   C CB  . ARG    B 0 81  . 81  ARG    B CB  97.59 1.0 ?  -1  True False False True  0 0 -1 False True  A81  641 -15.243 6.722   0.35    1 642\nATOM   C CG  . ARG    B 0 81  . 81  ARG    B CG  97.59 1.0 ?  -1  True False False True  0 0 -1 False True  A81  642 -15.47  8.218   0.198   1 643\nATOM   C CD  . ARG    B 0 81  . 81  ARG    B CD  97.59 1.0 ?  -1  True False False True  0 0 -1 False True  A81  643 -16.513 8.515   -0.817  1 644\nATOM   N NE  . ARG    B 0 81  . 81  ARG    B NE  97.59 1.0 ?  -1  True False False True  0 0 -1 False True  A81  644 -16.732 9.944   -0.968  1 645\nATOM   C CZ  . ARG    B 0 81  . 81  ARG    B CZ  97.59 1.0 ?  -1  True False False True  0 0 -1 False True  A81  645 -17.574 10.499  -1.862  1 646\nATOM   N NH1 . ARG    B 0 81  . 81  ARG    B NH1 97.59 1.0 ?  -1  True False False True  0 0 -1 False True  A81  646 -18.267 9.734   -2.675  1 647\nATOM   N NH2 . ARG    B 0 81  . 81  ARG    B NH2 97.59 1.0 +1 -1  True False False True  0 0 -1 False True  A81  647 -17.702 11.813  -1.921  1 648\nATOM   N N   . ALA    B 0 82  . 82  ALA    B N   97.44 1.0 ?  -1  True False False True  0 0 -1 False True  A82  648 -13.516 4.404   2.625   1 649\nATOM   C CA  . ALA    B 0 82  . 82  ALA    B CA  97.44 1.0 ?  -1  True False False True  0 0 -1 False True  A82  649 -13.38  2.997   2.99    1 650\nATOM   C C   . ALA    B 0 82  . 82  ALA    B C   97.44 1.0 ?  -1  True False False True  0 0 -1 False True  A82  650 -14.722 2.406   3.412   1 651\nATOM   O O   . ALA    B 0 82  . 82  ALA    B O   97.44 1.0 ?  -1  True False False True  0 0 -1 False True  A82  651 -15.569 3.109   3.967   1 652\nATOM   C CB  . ALA    B 0 82  . 82  ALA    B CB  97.44 1.0 ?  -1  True False False True  0 0 -1 False True  A82  652 -12.356 2.835   4.112   1 653\nATOM   N N   . ARG    B 0 83  . 83  ARG    B N   98.22 1.0 ?  -1  True False False True  0 0 -1 False True  A83  653 -14.851 1.101   2.995   1 654\nATOM   C CA  . ARG    B 0 83  . 83  ARG    B CA  98.22 1.0 ?  -1  True False False True  0 0 -1 False True  A83  654 -16.075 0.349   3.253   1 655\nATOM   C C   . ARG    B 0 83  . 83  ARG    B C   98.22 1.0 ?  -1  True False False True  0 0 -1 False True  A83  655 -15.807 -0.833  4.179   1 656\nATOM   O O   . ARG    B 0 83  . 83  ARG    B O   98.22 1.0 ?  -1  True False False True  0 0 -1 False True  A83  656 -14.653 -1.189  4.42    1 657\nATOM   C CB  . ARG    B 0 83  . 83  ARG    B CB  98.22 1.0 ?  -1  True False False True  0 0 -1 False True  A83  657 -16.679 -0.155  1.951   1 658\nATOM   C CG  . ARG    B 0 83  . 83  ARG    B CG  98.22 1.0 ?  -1  True False False True  0 0 -1 False True  A83  658 -16.95  0.921   0.912   1 659\nATOM   C CD  . ARG    B 0 83  . 83  ARG    B CD  98.22 1.0 ?  -1  True False False True  0 0 -1 False True  A83  659 -17.938 1.917   1.398   1 660\nATOM   N NE  . ARG    B 0 83  . 83  ARG    B NE  98.22 1.0 ?  -1  True False False True  0 0 -1 False True  A83  660 -19.184 1.29    1.807   1 661\nATOM   C CZ  . ARG    B 0 83  . 83  ARG    B CZ  98.22 1.0 ?  -1  True False False True  0 0 -1 False True  A83  661 -20.177 0.939   0.967   1 662\nATOM   N NH1 . ARG    B 0 83  . 83  ARG    B NH1 98.22 1.0 ?  -1  True False False True  0 0 -1 False True  A83  662 -20.055 1.16    -0.323  1 663\nATOM   N NH2 . ARG    B 0 83  . 83  ARG    B NH2 98.22 1.0 +1 -1  True False False True  0 0 -1 False True  A83  663 -21.274 0.372   1.439   1 664\nATOM   N N   . ARG    B 0 84  . 84  ARG    B N   97.49 1.0 ?  -1  True False False True  0 0 -1 False True  A84  664 -16.91  -1.393  4.74    1 665\nATOM   C CA  . ARG    B 0 84  . 84  ARG    B CA  97.49 1.0 ?  -1  True False False True  0 0 -1 False True  A84  665 -16.77  -2.529  5.645   1 666\nATOM   C C   . ARG    B 0 84  . 84  ARG    B C   97.49 1.0 ?  -1  True False False True  0 0 -1 False True  A84  666 -16.112 -3.711  4.941   1 667\nATOM   O O   . ARG    B 0 84  . 84  ARG    B O   97.49 1.0 ?  -1  True False False True  0 0 -1 False True  A84  667 -15.482 -4.553  5.586   1 668\nATOM   C CB  . ARG    B 0 84  . 84  ARG    B CB  97.49 1.0 ?  -1  True False False True  0 0 -1 False True  A84  668 -18.127 -2.954  6.186   1 669\nATOM   C CG  . ARG    B 0 84  . 84  ARG    B CG  97.49 1.0 ?  -1  True False False True  0 0 -1 False True  A84  669 -19.09  -3.498  5.142   1 670\nATOM   C CD  . ARG    B 0 84  . 84  ARG    B CD  97.49 1.0 ?  -1  True False False True  0 0 -1 False True  A84  670 -20.453 -3.689  5.699   1 671\nATOM   N NE  . ARG    B 0 84  . 84  ARG    B NE  97.49 1.0 ?  -1  True False False True  0 0 -1 False True  A84  671 -21.082 -2.424  6.042   1 672\nATOM   C CZ  . ARG    B 0 84  . 84  ARG    B CZ  97.49 1.0 ?  -1  True False False True  0 0 -1 False True  A84  672 -22.231 -2.303  6.734   1 673\nATOM   N NH1 . ARG    B 0 84  . 84  ARG    B NH1 97.49 1.0 ?  -1  True False False True  0 0 -1 False True  A84  673 -22.864 -3.378  7.151   1 674\nATOM   N NH2 . ARG    B 0 84  . 84  ARG    B NH2 97.49 1.0 +1 -1  True False False True  0 0 -1 False True  A84  674 -22.722 -1.104  6.996   1 675\nATOM   N N   . ASN    B 0 85  . 85  ASN    B N   97.19 1.0 ?  -1  True False False True  0 0 -1 False True  A85  675 -16.216 -3.732  3.612   1 676\nATOM   C CA  . ASN    B 0 85  . 85  ASN    B CA  97.19 1.0 ?  -1  True False False True  0 0 -1 False True  A85  676 -15.666 -4.868  2.88    1 677\nATOM   C C   . ASN    B 0 85  . 85  ASN    B C   97.19 1.0 ?  -1  True False False True  0 0 -1 False True  A85  677 -14.18  -4.681  2.588   1 678\nATOM   O O   . ASN    B 0 85  . 85  ASN    B O   97.19 1.0 ?  -1  True False False True  0 0 -1 False True  A85  678 -13.553 -5.538  1.964   1 679\nATOM   C CB  . ASN    B 0 85  . 85  ASN    B CB  97.19 1.0 ?  -1  True False False True  0 0 -1 False True  A85  679 -16.438 -5.092  1.593   1 680\nATOM   C CG  . ASN    B 0 85  . 85  ASN    B CG  97.19 1.0 ?  -1  True False False True  0 0 -1 False True  A85  680 -17.843 -5.569  1.837   1 681\nATOM   O OD1 . ASN    B 0 85  . 85  ASN    B OD1 97.19 1.0 ?  -1  True False False True  0 0 -1 False True  A85  681 -18.113 -6.263  2.824   1 682\nATOM   N ND2 . ASN    B 0 85  . 85  ASN    B ND2 97.19 1.0 ?  -1  True False False True  0 0 -1 False True  A85  682 -18.742 -5.211  0.956   1 683\nATOM   N N   . ASP    B 0 86  . 86  ASP    B N   98.04 1.0 ?  -1  True False False True  0 0 -1 False True  A86  683 -13.643 -3.548  3.093   1 684\nATOM   C CA  . ASP    B 0 86  . 86  ASP    B CA  98.04 1.0 ?  -1  True False False True  0 0 -1 False True  A86  684 -12.212 -3.313  2.926   1 685\nATOM   C C   . ASP    B 0 86  . 86  ASP    B C   98.04 1.0 ?  -1  True False False True  0 0 -1 False True  A86  685 -11.425 -3.832  4.126   1 686\nATOM   O O   . ASP    B 0 86  . 86  ASP    B O   98.04 1.0 ?  -1  True False False True  0 0 -1 False True  A86  686 -10.193 -3.79   4.133   1 687\nATOM   C CB  . ASP    B 0 86  . 86  ASP    B CB  98.04 1.0 ?  -1  True False False True  0 0 -1 False True  A86  687 -11.932 -1.821  2.731   1 688\nATOM   C CG  . ASP    B 0 86  . 86  ASP    B CG  98.04 1.0 ?  -1  True False False True  0 0 -1 False True  A86  688 -12.539 -1.266  1.449   1 689\nATOM   O OD1 . ASP    B 0 86  . 86  ASP    B OD1 98.04 1.0 ?  -1  True False False True  0 0 -1 False True  A86  689 -12.546 -1.969  0.466   1 690\nATOM   O OD2 . ASP    B 0 86  . 86  ASP    B OD2 98.04 1.0 ?  -1  True False False True  0 0 -1 False True  A86  690 -12.991 -0.146  1.465   1 691\nATOM   N N   . SER    B 0 87  . 87  SER    B N   98.3  1.0 ?  -1  True False False True  0 0 -1 False True  A87  691 -12.208 -4.257  5.149   1 692\nATOM   C CA  . SER    B 0 87  . 87  SER    B CA  98.3  1.0 ?  -1  True False False True  0 0 -1 False True  A87  692 -11.507 -4.739  6.335   1 693\nATOM   C C   . SER    B 0 87  . 87  SER    B C   98.3  1.0 ?  -1  True False False True  0 0 -1 False True  A87  693 -10.605 -5.922  6.0     1 694\nATOM   O O   . SER    B 0 87  . 87  SER    B O   98.3  1.0 ?  -1  True False False True  0 0 -1 False True  A87  694 -11.02  -6.848  5.3     1 695\nATOM   C CB  . SER    B 0 87  . 87  SER    B CB  98.3  1.0 ?  -1  True False False True  0 0 -1 False True  A87  695 -12.505 -5.139  7.404   1 696\nATOM   O OG  . SER    B 0 87  . 87  SER    B OG  98.3  1.0 ?  -1  True False False True  0 0 -1 False True  A87  696 -13.225 -4.028  7.861   1 697\nATOM   N N   . GLY    B 0 88  . 88  GLY    B N   97.97 1.0 ?  -1  True False False True  0 0 -1 False True  A88  697 -9.313  -5.873  6.533   1 698\nATOM   C CA  . GLY    B 0 88  . 88  GLY    B CA  97.97 1.0 ?  -1  True False False True  0 0 -1 False True  A88  698 -8.34   -6.902  6.199   1 699\nATOM   C C   . GLY    B 0 88  . 88  GLY    B C   97.97 1.0 ?  -1  True False False True  0 0 -1 False True  A88  699 -6.907  -6.471  6.447   1 700\nATOM   O O   . GLY    B 0 88  . 88  GLY    B O   97.97 1.0 ?  -1  True False False True  0 0 -1 False True  A88  700 -6.657  -5.542  7.217   1 701\nATOM   N N   . THR    B 0 89  . 89  THR    B N   98.32 1.0 ?  -1  True False False True  0 0 -1 False True  A89  701 -6.029  -7.278  5.968   1 702\nATOM   C CA  . THR    B 0 89  . 89  THR    B CA  98.32 1.0 ?  -1  True False False True  0 0 -1 False True  A89  702 -4.6    -7.1    6.202   1 703\nATOM   C C   . THR    B 0 89  . 89  THR    B C   98.32 1.0 ?  -1  True False False True  0 0 -1 False True  A89  703 -3.935  -6.43   5.003   1 704\nATOM   O O   . THR    B 0 89  . 89  THR    B O   98.32 1.0 ?  -1  True False False True  0 0 -1 False True  A89  704 -4.084  -6.889  3.868   1 705\nATOM   C CB  . THR    B 0 89  . 89  THR    B CB  98.32 1.0 ?  -1  True False False True  0 0 -1 False True  A89  705 -3.912  -8.447  6.493   1 706\nATOM   O OG1 . THR    B 0 89  . 89  THR    B OG1 98.32 1.0 ?  -1  True False False True  0 0 -1 False True  A89  706 -4.48   -9.031  7.673   1 707\nATOM   C CG2 . THR    B 0 89  . 89  THR    B CG2 98.32 1.0 ?  -1  True False False True  0 0 -1 False True  A89  707 -2.418  -8.249  6.7     1 708\nATOM   N N   . TYR    B 0 90  . 90  TYR    B N   98.29 1.0 ?  -1  True False False True  0 0 -1 False True  A90  708 -3.17   -5.349  5.299   1 709\nATOM   C CA  . TYR    B 0 90  . 90  TYR    B CA  98.29 1.0 ?  -1  True False False True  0 0 -1 False True  A90  709 -2.499  -4.587  4.252   1 710\nATOM   C C   . TYR    B 0 90  . 90  TYR    B C   98.29 1.0 ?  -1  True False False True  0 0 -1 False True  A90  710 -0.993  -4.552  4.485   1 711\nATOM   O O   . TYR    B 0 90  . 90  TYR    B O   98.29 1.0 ?  -1  True False False True  0 0 -1 False True  A90  711 -0.533  -4.617  5.627   1 712\nATOM   C CB  . TYR    B 0 90  . 90  TYR    B CB  98.29 1.0 ?  -1  True False False True  0 0 -1 False True  A90  712 -3.06   -3.165  4.18    1 713\nATOM   C CG  . TYR    B 0 90  . 90  TYR    B CG  98.29 1.0 ?  -1  True False False True  0 0 -1 False True  A90  713 -4.491  -3.097  3.695   1 714\nATOM   C CD1 . TYR    B 0 90  . 90  TYR    B CD1 98.29 1.0 ?  -1  True False False True  0 0 -1 False True  A90  714 -5.528  -3.462  4.541   1 715\nATOM   C CD2 . TYR    B 0 90  . 90  TYR    B CD2 98.29 1.0 ?  -1  True False False True  0 0 -1 False True  A90  715 -4.766  -2.671  2.404   1 716\nATOM   C CE1 . TYR    B 0 90  . 90  TYR    B CE1 98.29 1.0 ?  -1  True False False True  0 0 -1 False True  A90  716 -6.835  -3.4    4.098   1 717\nATOM   C CE2 . TYR    B 0 90  . 90  TYR    B CE2 98.29 1.0 ?  -1  True False False True  0 0 -1 False True  A90  717 -6.073  -2.609  1.961   1 718\nATOM   C CZ  . TYR    B 0 90  . 90  TYR    B CZ  98.29 1.0 ?  -1  True False False True  0 0 -1 False True  A90  718 -7.105  -2.971  2.803   1 719\nATOM   O OH  . TYR    B 0 90  . 90  TYR    B OH  98.29 1.0 ?  -1  True False False True  0 0 -1 False True  A90  719 -8.407  -2.91   2.362   1 720\nATOM   N N   . LEU    B 0 91  . 91  LEU    B N   97.99 1.0 ?  -1  True False False True  0 0 -1 False True  A91  720 -0.263  -4.435  3.425   1 721\nATOM   C CA  . LEU    B 0 91  . 91  LEU    B CA  97.99 1.0 ?  -1  True False False True  0 0 -1 False True  A91  721 1.185   -4.273  3.489   1 722\nATOM   C C   . LEU    B 0 91  . 91  LEU    B C   97.99 1.0 ?  -1  True False False True  0 0 -1 False True  A91  722 1.704   -3.532  2.261   1 723\nATOM   O O   . LEU    B 0 91  . 91  LEU    B O   97.99 1.0 ?  -1  True False False True  0 0 -1 False True  A91  723 0.997   -3.413  1.258   1 724\nATOM   C CB  . LEU    B 0 91  . 91  LEU    B CB  97.99 1.0 ?  -1  True False False True  0 0 -1 False True  A91  724 1.872   -5.637  3.605   1 725\nATOM   C CG  . LEU    B 0 91  . 91  LEU    B CG  97.99 1.0 ?  -1  True False False True  0 0 -1 False True  A91  725 1.64    -6.613  2.451   1 726\nATOM   C CD1 . LEU    B 0 91  . 91  LEU    B CD1 97.99 1.0 ?  -1  True False False True  0 0 -1 False True  A91  726 2.745   -6.474  1.409   1 727\nATOM   C CD2 . LEU    B 0 91  . 91  LEU    B CD2 97.99 1.0 ?  -1  True False False True  0 0 -1 False True  A91  727 1.564   -8.045  2.97    1 728\nATOM   N N   . CYS    B 0 92  . 92  CYS    B N   97.85 1.0 ?  -1  True False False True  0 0 -1 False True  A92  728 2.911   -2.925  2.358   1 729\nATOM   C CA  . CYS    B 0 92  . 92  CYS    B CA  97.85 1.0 ?  -1  True False False True  0 0 -1 False True  A92  729 3.593   -2.399  1.181   1 730\nATOM   C C   . CYS    B 0 92  . 92  CYS    B C   97.85 1.0 ?  -1  True False False True  0 0 -1 False True  A92  730 4.928   -3.101  0.963   1 731\nATOM   O O   . CYS    B 0 92  . 92  CYS    B O   97.85 1.0 ?  -1  True False False True  0 0 -1 False True  A92  731 5.408   -3.818  1.843   1 732\nATOM   C CB  . CYS    B 0 92  . 92  CYS    B CB  97.85 1.0 ?  -1  True False False True  0 0 -1 False True  A92  732 3.83    -0.895  1.322   1 733\nATOM   S SG  . CYS    B 0 92  . 92  CYS    B SG  97.85 1.0 ?  -1  True False False True  0 0 -1 False True  A92  733 4.994   -0.451  2.634   1 734\nATOM   N N   . GLY    B 0 93  . 93  GLY    B N   96.35 1.0 ?  -1  True False False True  0 0 -1 False True  A93  734 5.378   -3.117  -0.274  1 735\nATOM   C CA  . GLY    B 0 93  . 93  GLY    B CA  96.35 1.0 ?  -1  True False False True  0 0 -1 False True  A93  735 6.669   -3.669  -0.651  1 736\nATOM   C C   . GLY    B 0 93  . 93  GLY    B C   96.35 1.0 ?  -1  True False False True  0 0 -1 False True  A93  736 7.262   -3.011  -1.884  1 737\nATOM   O O   . GLY    B 0 93  . 93  GLY    B O   96.35 1.0 ?  -1  True False False True  0 0 -1 False True  A93  737 6.534   -2.452  -2.706  1 738\nATOM   N N   . ALA    B 0 94  . 94  ALA    B N   95.91 1.0 ?  -1  True False False True  0 0 -1 False True  A94  738 8.615   -2.98   -1.987  1 739\nATOM   C CA  . ALA    B 0 94  . 94  ALA    B CA  95.91 1.0 ?  -1  True False False True  0 0 -1 False True  A94  739 9.312   -2.328  -3.093  1 740\nATOM   C C   . ALA    B 0 94  . 94  ALA    B C   95.91 1.0 ?  -1  True False False True  0 0 -1 False True  A94  740 10.106  -3.34   -3.914  1 741\nATOM   O O   . ALA    B 0 94  . 94  ALA    B O   95.91 1.0 ?  -1  True False False True  0 0 -1 False True  A94  741 10.605  -4.329  -3.376  1 742\nATOM   C CB  . ALA    B 0 94  . 94  ALA    B CB  95.91 1.0 ?  -1  True False False True  0 0 -1 False True  A94  742 10.236  -1.232  -2.567  1 743\nATOM   N N   . ILE    B 0 95  . 95  ILE    B N   94.62 1.0 ?  -1  True False False True  0 0 -1 False True  A95  743 10.161  -3.05   -5.244  1 744\nATOM   C CA  . ILE    B 0 95  . 95  ILE    B CA  94.62 1.0 ?  -1  True False False True  0 0 -1 False True  A95  744 10.964  -3.877  -6.139  1 745\nATOM   C C   . ILE    B 0 95  . 95  ILE    B C   94.62 1.0 ?  -1  True False False True  0 0 -1 False True  A95  745 12.1    -3.045  -6.729  1 746\nATOM   O O   . ILE    B 0 95  . 95  ILE    B O   94.62 1.0 ?  -1  True False False True  0 0 -1 False True  A95  746 11.872  -1.95   -7.247  1 747\nATOM   C CB  . ILE    B 0 95  . 95  ILE    B CB  94.62 1.0 ?  -1  True False True  True  0 0 -1 False True  A95  747 10.105  -4.471  -7.271  1 748\nATOM   C CG1 . ILE    B 0 95  . 95  ILE    B CG1 94.62 1.0 ?  -1  True False False True  0 0 -1 False True  A95  748 8.973   -5.323  -6.691  1 749\nATOM   C CG2 . ILE    B 0 95  . 95  ILE    B CG2 94.62 1.0 ?  -1  True False True  True  0 0 -1 False True  A95  749 10.967  -5.294  -8.215  1 750\nATOM   C CD1 . ILE    B 0 95  . 95  ILE    B CD1 94.62 1.0 ?  -1  True False False True  0 0 -1 False True  A95  750 7.928   -5.722  -7.708  1 751\nATOM   N N   . SER    B 0 96  . 96  SER    B N   93.3  1.0 ?  -1  True False False True  0 0 -1 False True  A96  751 13.291  -3.556  -6.553  1 752\nATOM   C CA  . SER    B 0 96  . 96  SER    B CA  93.3  1.0 ?  -1  True False False True  0 0 -1 False True  A96  752 14.427  -2.894  -7.185  1 753\nATOM   C C   . SER    B 0 96  . 96  SER    B C   93.3  1.0 ?  -1  True False False True  0 0 -1 False True  A96  753 14.571  -3.317  -8.643  1 754\nATOM   O O   . SER    B 0 96  . 96  SER    B O   93.3  1.0 ?  -1  True False False True  0 0 -1 False True  A96  754 14.428  -4.497  -8.97   1 755\nATOM   C CB  . SER    B 0 96  . 96  SER    B CB  93.3  1.0 ?  -1  True False False True  0 0 -1 False True  A96  755 15.702  -3.211  -6.428  1 756\nATOM   O OG  . SER    B 0 96  . 96  SER    B OG  93.3  1.0 ?  -1  True False False True  0 0 -1 False True  A96  756 15.67   -2.663  -5.139  1 757\nATOM   N N   . LEU    B 0 97  . 97  LEU    B N   88.74 1.0 ?  -1  True False False True  0 0 -1 False True  A97  757 14.718  -2.37   -9.612  1 758\nATOM   C CA  . LEU    B 0 97  . 97  LEU    B CA  88.74 1.0 ?  -1  True False False True  0 0 -1 False True  A97  758 14.728  -2.67   -11.039 1 759\nATOM   C C   . LEU    B 0 97  . 97  LEU    B C   88.74 1.0 ?  -1  True False False True  0 0 -1 False True  A97  759 16.151  -2.896  -11.538 1 760\nATOM   O O   . LEU    B 0 97  . 97  LEU    B O   88.74 1.0 ?  -1  True False False True  0 0 -1 False True  A97  760 16.364  -3.615  -12.517 1 761\nATOM   C CB  . LEU    B 0 97  . 97  LEU    B CB  88.74 1.0 ?  -1  True False True  True  0 0 -1 False True  A97  761 14.071  -1.535  -11.831 1 762\nATOM   C CG  . LEU    B 0 97  . 97  LEU    B CG  88.74 1.0 ?  -1  True False True  True  0 0 -1 False True  A97  762 12.67   -1.117  -11.382 1 763\nATOM   C CD1 . LEU    B 0 97  . 97  LEU    B CD1 88.74 1.0 ?  -1  True False True  True  0 0 -1 False True  A97  763 12.126  -0.022  -12.294 1 764\nATOM   C CD2 . LEU    B 0 97  . 97  LEU    B CD2 88.74 1.0 ?  -1  True False True  True  0 0 -1 False True  A97  764 11.733  -2.321  -11.365 1 765\nATOM   N N   . ALA    B 0 98  . 98  ALA    B N   84.88 1.0 ?  -1  True False False True  0 0 -1 False True  A98  765 17.173  -2.41   -10.933 1 766\nATOM   C CA  . ALA    B 0 98  . 98  ALA    B CA  84.88 1.0 ?  -1  True False False True  0 0 -1 False True  A98  766 18.582  -2.55   -11.291 1 767\nATOM   C C   . ALA    B 0 98  . 98  ALA    B C   84.88 1.0 ?  -1  True False False True  0 0 -1 False True  A98  767 19.482  -2.319  -10.08  1 768\nATOM   O O   . ALA    B 0 98  . 98  ALA    B O   84.88 1.0 ?  -1  True False False True  0 0 -1 False True  A98  768 19.172  -1.494  -9.218  1 769\nATOM   C CB  . ALA    B 0 98  . 98  ALA    B CB  84.88 1.0 ?  -1  True False False True  0 0 -1 False True  A98  769 18.946  -1.579  -12.413 1 770\nATOM   N N   . PRO    B 0 99  . 99  PRO    B N   79.77 1.0 ?  -1  True False False True  0 0 -1 False True  A99  770 20.694  -3.014  -10.137 1 771\nATOM   C CA  . PRO    B 0 99  . 99  PRO    B CA  79.77 1.0 ?  -1  True False False True  0 0 -1 False True  A99  771 21.258  -4.001  -11.06  1 772\nATOM   C C   . PRO    B 0 99  . 99  PRO    B C   79.77 1.0 ?  -1  True False False True  0 0 -1 False True  A99  772 20.575  -5.362  -10.958 1 773\nATOM   O O   . PRO    B 0 99  . 99  PRO    B O   79.77 1.0 ?  -1  True False False True  0 0 -1 False True  A99  773 20.652  -6.167  -11.891 1 774\nATOM   C CB  . PRO    B 0 99  . 99  PRO    B CB  79.77 1.0 ?  -1  True False False True  0 0 -1 False True  A99  774 22.722  -4.077  -10.615 1 775\nATOM   C CG  . PRO    B 0 99  . 99  PRO    B CG  79.77 1.0 ?  -1  True False False True  0 0 -1 False True  A99  775 22.685  -3.706  -9.172  1 776\nATOM   C CD  . PRO    B 0 99  . 99  PRO    B CD  79.77 1.0 ?  -1  True False False True  0 0 -1 False True  A99  776 21.635  -2.63   -9.089  1 777\nATOM   N N   . LYS    B 0 100 . 100 LYS    B N   85.94 1.0 ?  -1  True False False True  0 0 -1 False True  A100 777 19.799  -5.723  -9.932  1 778\nATOM   C CA  . LYS    B 0 100 . 100 LYS    B CA  85.94 1.0 ?  -1  True False False True  0 0 -1 False True  A100 778 19.125  -6.992  -9.674  1 779\nATOM   C C   . LYS    B 0 100 . 100 LYS    B C   85.94 1.0 ?  -1  True False False True  0 0 -1 False True  A100 779 17.644  -6.776  -9.374  1 780\nATOM   O O   . LYS    B 0 100 . 100 LYS    B O   85.94 1.0 ?  -1  True False False True  0 0 -1 False True  A100 780 17.255  -5.725  -8.861  1 781\nATOM   C CB  . LYS    B 0 100 . 100 LYS    B CB  85.94 1.0 ?  -1  True False False True  0 0 -1 False True  A100 781 19.795  -7.73   -8.514  1 782\nATOM   C CG  . LYS    B 0 100 . 100 LYS    B CG  85.94 1.0 ?  -1  True False False True  0 0 -1 False True  A100 782 21.263  -8.062  -8.744  1 783\nATOM   C CD  . LYS    B 0 100 . 100 LYS    B CD  85.94 1.0 ?  -1  True False False True  0 0 -1 False True  A100 783 21.426  -9.162  -9.782  1 784\nATOM   C CE  . LYS    B 0 100 . 100 LYS    B CE  85.94 1.0 ?  -1  True False False True  0 0 -1 False True  A100 784 22.886  -9.56   -9.944  1 785\nATOM   N NZ  . LYS    B 0 100 . 100 LYS    B NZ  85.94 1.0 +1 -1  True False False True  0 0 -1 False True  A100 785 23.063  -10.615 -10.979 1 786\nATOM   N N   . ALA    B 0 101 . 101 ALA    B N   89.78 1.0 ?  -1  True False False True  0 0 -1 False True  A101 786 16.859  -7.762  -9.839  1 787\nATOM   C CA  . ALA    B 0 101 . 101 ALA    B CA  89.78 1.0 ?  -1  True False False True  0 0 -1 False True  A101 787 15.433  -7.712  -9.527  1 788\nATOM   C C   . ALA    B 0 101 . 101 ALA    B C   89.78 1.0 ?  -1  True False False True  0 0 -1 False True  A101 788 15.145  -8.352  -8.172  1 789\nATOM   O O   . ALA    B 0 101 . 101 ALA    B O   89.78 1.0 ?  -1  True False False True  0 0 -1 False True  A101 789 15.332  -9.558  -7.997  1 790\nATOM   C CB  . ALA    B 0 101 . 101 ALA    B CB  89.78 1.0 ?  -1  True False False True  0 0 -1 False True  A101 790 14.623  -8.403  -10.621 1 791\nATOM   N N   . GLN    B 0 102 . 102 GLN    B N   91.47 1.0 ?  -1  True False False True  0 0 -1 False True  A102 791 14.845  -7.556  -7.205  1 792\nATOM   C CA  . GLN    B 0 102 . 102 GLN    B CA  91.47 1.0 ?  -1  True False False True  0 0 -1 False True  A102 792 14.642  -7.98   -5.824  1 793\nATOM   C C   . GLN    B 0 102 . 102 GLN    B C   91.47 1.0 ?  -1  True False False True  0 0 -1 False True  A102 793 13.417  -7.304  -5.215  1 794\nATOM   O O   . GLN    B 0 102 . 102 GLN    B O   91.47 1.0 ?  -1  True False False True  0 0 -1 False True  A102 794 13.105  -6.158  -5.546  1 795\nATOM   C CB  . GLN    B 0 102 . 102 GLN    B CB  91.47 1.0 ?  -1  True False False True  0 0 -1 False True  A102 795 15.883  -7.672  -4.981  1 796\nATOM   C CG  . GLN    B 0 102 . 102 GLN    B CG  91.47 1.0 ?  -1  True False True  True  0 0 -1 False True  A102 796 17.135  -8.408  -5.425  1 797\nATOM   C CD  . GLN    B 0 102 . 102 GLN    B CD  91.47 1.0 ?  -1  True False True  True  0 0 -1 False True  A102 797 18.319  -8.136  -4.516  1 798\nATOM   O OE1 . GLN    B 0 102 . 102 GLN    B OE1 91.47 1.0 ?  -1  True False True  True  0 0 -1 False True  A102 798 18.382  -7.1    -3.849  1 799\nATOM   N NE2 . GLN    B 0 102 . 102 GLN    B NE2 91.47 1.0 ?  -1  True False True  True  0 0 -1 False True  A102 799 19.265  -9.068  -4.484  1 800\nATOM   N N   . ILE    B 0 103 . 103 ILE    B N   92.79 1.0 ?  -1  True False False True  0 0 -1 False True  A103 800 12.789  -8.051  -4.305  1 801\nATOM   C CA  . ILE    B 0 103 . 103 ILE    B CA  92.79 1.0 ?  -1  True False False True  0 0 -1 False True  A103 801 11.595  -7.508  -3.668  1 802\nATOM   C C   . ILE    B 0 103 . 103 ILE    B C   92.79 1.0 ?  -1  True False False True  0 0 -1 False True  A103 802 11.75   -7.56   -2.149  1 803\nATOM   O O   . ILE    B 0 103 . 103 ILE    B O   92.79 1.0 ?  -1  True False False True  0 0 -1 False True  A103 803 12.372  -8.481  -1.614  1 804\nATOM   C CB  . ILE    B 0 103 . 103 ILE    B CB  92.79 1.0 ?  -1  True False False True  0 0 -1 False True  A103 804 10.325  -8.272  -4.104  1 805\nATOM   C CG1 . ILE    B 0 103 . 103 ILE    B CG1 92.79 1.0 ?  -1  True False False True  0 0 -1 False True  A103 805 9.072   -7.596  -3.533  1 806\nATOM   C CG2 . ILE    B 0 103 . 103 ILE    B CG2 92.79 1.0 ?  -1  True False False True  0 0 -1 False True  A103 806 10.401  -9.738  -3.671  1 807\nATOM   C CD1 . ILE    B 0 103 . 103 ILE    B CD1 92.79 1.0 ?  -1  True False False True  0 0 -1 False True  A103 807 7.775   -8.031  -4.201  1 808\nATOM   N N   . LYS    B 0 104 . 104 LYS    B N   93.35 1.0 ?  -1  True False False True  0 0 -1 False True  A104 808 11.349  -6.52   -1.486  1 809\nATOM   C CA  . LYS    B 0 104 . 104 LYS    B CA  93.35 1.0 ?  -1  True False False True  0 0 -1 False True  A104 809 11.293  -6.473  -0.027  1 810\nATOM   C C   . LYS    B 0 104 . 104 LYS    B C   93.35 1.0 ?  -1  True False False True  0 0 -1 False True  A104 810 9.926   -5.998  0.455   1 811\nATOM   O O   . LYS    B 0 104 . 104 LYS    B O   93.35 1.0 ?  -1  True False False True  0 0 -1 False True  A104 811 9.408   -4.989  -0.028  1 812\nATOM   C CB  . LYS    B 0 104 . 104 LYS    B CB  93.35 1.0 ?  -1  True False False True  0 0 -1 False True  A104 812 12.391  -5.562  0.523   1 813\nATOM   C CG  . LYS    B 0 104 . 104 LYS    B CG  93.35 1.0 ?  -1  True False False True  0 0 -1 False True  A104 813 13.806  -6.084  0.31    1 814\nATOM   C CD  . LYS    B 0 104 . 104 LYS    B CD  93.35 1.0 ?  -1  True False False True  0 0 -1 False True  A104 814 14.115  -7.244  1.245   1 815\nATOM   C CE  . LYS    B 0 104 . 104 LYS    B CE  93.35 1.0 ?  -1  True False False True  0 0 -1 False True  A104 815 15.571  -7.671  1.137   1 816\nATOM   N NZ  . LYS    B 0 104 . 104 LYS    B NZ  93.35 1.0 +1 -1  True False False True  0 0 -1 False True  A104 816 15.883  -8.816  2.036   1 817\nATOM   N N   . GLU    B 0 105 . 105 GLU    B N   94.78 1.0 ?  -1  True False False True  0 0 -1 False True  A105 817 9.368   -6.909  1.356   1 818\nATOM   C CA  . GLU    B 0 105 . 105 GLU    B CA  94.78 1.0 ?  -1  True False False True  0 0 -1 False True  A105 818 8.033   -6.602  1.861   1 819\nATOM   C C   . GLU    B 0 105 . 105 GLU    B C   94.78 1.0 ?  -1  True False False True  0 0 -1 False True  A105 819 8.095   -6.045  3.28    1 820\nATOM   O O   . GLU    B 0 105 . 105 GLU    B O   94.78 1.0 ?  -1  True False False True  0 0 -1 False True  A105 820 8.996   -6.386  4.048   1 821\nATOM   C CB  . GLU    B 0 105 . 105 GLU    B CB  94.78 1.0 ?  -1  True False False True  0 0 -1 False True  A105 821 7.151   -7.852  1.832   1 822\nATOM   C CG  . GLU    B 0 105 . 105 GLU    B CG  94.78 1.0 ?  -1  True False False True  0 0 -1 False True  A105 822 6.827   -8.361  0.435   1 823\nATOM   C CD  . GLU    B 0 105 . 105 GLU    B CD  94.78 1.0 ?  -1  True False False True  0 0 -1 False True  A105 823 5.884   -9.531  0.442   1 824\nATOM   O OE1 . GLU    B 0 105 . 105 GLU    B OE1 94.78 1.0 ?  -1  True False False True  0 0 -1 False True  A105 824 5.897   -10.275 1.393   1 825\nATOM   O OE2 . GLU    B 0 105 . 105 GLU    B OE2 94.78 1.0 ?  -1  True False False True  0 0 -1 False True  A105 825 5.148   -9.682  -0.505  1 826\nATOM   N N   . SER    B 0 106 . 106 SER    B N   97.09 1.0 ?  -1  True False False True  0 0 -1 False True  A106 826 7.134   -5.142  3.629   1 827\nATOM   C CA  . SER    B 0 106 . 106 SER    B CA  97.09 1.0 ?  -1  True False False True  0 0 -1 False True  A106 827 7.035   -4.6    4.98    1 828\nATOM   C C   . SER    B 0 106 . 106 SER    B C   97.09 1.0 ?  -1  True False False True  0 0 -1 False True  A106 828 6.399   -5.605  5.933   1 829\nATOM   O O   . SER    B 0 106 . 106 SER    B O   97.09 1.0 ?  -1  True False False True  0 0 -1 False True  A106 829 5.978   -6.686  5.515   1 830\nATOM   C CB  . SER    B 0 106 . 106 SER    B CB  97.09 1.0 ?  -1  True False False True  0 0 -1 False True  A106 830 6.225   -3.318  4.97    1 831\nATOM   O OG  . SER    B 0 106 . 106 SER    B OG  97.09 1.0 ?  -1  True False False True  0 0 -1 False True  A106 831 4.856   -3.59   4.843   1 832\nATOM   N N   . LEU    B 0 107 . 107 LEU    B N   96.35 1.0 ?  -1  True False False True  0 0 -1 False True  A107 832 6.422   -5.236  7.232   1 833\nATOM   C CA  . LEU    B 0 107 . 107 LEU    B CA  96.35 1.0 ?  -1  True False False True  0 0 -1 False True  A107 833 5.519   -5.918  8.152   1 834\nATOM   C C   . LEU    B 0 107 . 107 LEU    B C   96.35 1.0 ?  -1  True False False True  0 0 -1 False True  A107 834 4.064   -5.607  7.817   1 835\nATOM   O O   . LEU    B 0 107 . 107 LEU    B O   96.35 1.0 ?  -1  True False False True  0 0 -1 False True  A107 835 3.766   -4.555  7.248   1 836\nATOM   C CB  . LEU    B 0 107 . 107 LEU    B CB  96.35 1.0 ?  -1  True False False True  0 0 -1 False True  A107 836 5.82    -5.513  9.597   1 837\nATOM   C CG  . LEU    B 0 107 . 107 LEU    B CG  96.35 1.0 ?  -1  True False False True  0 0 -1 False True  A107 837 7.202   -5.888  10.133  1 838\nATOM   C CD1 . LEU    B 0 107 . 107 LEU    B CD1 96.35 1.0 ?  -1  True False False True  0 0 -1 False True  A107 838 7.424   -5.27   11.509  1 839\nATOM   C CD2 . LEU    B 0 107 . 107 LEU    B CD2 96.35 1.0 ?  -1  True False False True  0 0 -1 False True  A107 839 7.361   -7.404  10.189  1 840\nATOM   N N   . ARG    B 0 108 . 108 ARG    B N   97.88 1.0 ?  -1  True False False True  0 0 -1 False True  A108 840 3.162   -6.543  8.243   1 841\nATOM   C CA  . ARG    B 0 108 . 108 ARG    B CA  97.88 1.0 ?  -1  True False False True  0 0 -1 False True  A108 841 1.745   -6.419  7.919   1 842\nATOM   C C   . ARG    B 0 108 . 108 ARG    B C   97.88 1.0 ?  -1  True False False True  0 0 -1 False True  A108 842 1.01    -5.606  8.98    1 843\nATOM   O O   . ARG    B 0 108 . 108 ARG    B O   97.88 1.0 ?  -1  True False False True  0 0 -1 False True  A108 843 1.405   -5.598  10.148  1 844\nATOM   C CB  . ARG    B 0 108 . 108 ARG    B CB  97.88 1.0 ?  -1  True False False True  0 0 -1 False True  A108 844 1.102   -7.799  7.778   1 845\nATOM   C CG  . ARG    B 0 108 . 108 ARG    B CG  97.88 1.0 ?  -1  True False False True  0 0 -1 False True  A108 845 1.735   -8.666  6.701   1 846\nATOM   C CD  . ARG    B 0 108 . 108 ARG    B CD  97.88 1.0 ?  -1  True False False True  0 0 -1 False True  A108 846 0.957   -9.957  6.485   1 847\nATOM   N NE  . ARG    B 0 108 . 108 ARG    B NE  97.88 1.0 ?  -1  True False False True  0 0 -1 False True  A108 847 1.635   -10.845 5.546   1 848\nATOM   C CZ  . ARG    B 0 108 . 108 ARG    B CZ  97.88 1.0 ?  -1  True False False True  0 0 -1 False True  A108 848 1.118   -11.968 5.056   1 849\nATOM   N NH1 . ARG    B 0 108 . 108 ARG    B NH1 97.88 1.0 ?  -1  True False False True  0 0 -1 False True  A108 849 -0.101  -12.363 5.408   1 850\nATOM   N NH2 . ARG    B 0 108 . 108 ARG    B NH2 97.88 1.0 +1 -1  True False False True  0 0 -1 False True  A108 850 1.824   -12.703 4.208   1 851\nATOM   N N   . ALA    B 0 109 . 109 ALA    B N   98.37 1.0 ?  -1  True False False True  0 0 -1 False True  A109 851 -0.045  -4.93   8.546   1 852\nATOM   C CA  . ALA    B 0 109 . 109 ALA    B CA  98.37 1.0 ?  -1  True False False True  0 0 -1 False True  A109 852 -0.923  -4.143  9.41    1 853\nATOM   C C   . ALA    B 0 109 . 109 ALA    B C   98.37 1.0 ?  -1  True False False True  0 0 -1 False True  A109 853 -2.391  -4.441  9.118   1 854\nATOM   O O   . ALA    B 0 109 . 109 ALA    B O   98.37 1.0 ?  -1  True False False True  0 0 -1 False True  A109 854 -2.748  -4.79   7.99    1 855\nATOM   C CB  . ALA    B 0 109 . 109 ALA    B CB  98.37 1.0 ?  -1  True False False True  0 0 -1 False True  A109 855 -0.641  -2.652  9.237   1 856\nATOM   N N   . GLU    B 0 110 . 110 GLU    B N   98.6  1.0 ?  -1  True False False True  0 0 -1 False True  A110 856 -3.226  -4.279  10.155  1 857\nATOM   C CA  . GLU    B 0 110 . 110 GLU    B CA  98.6  1.0 ?  -1  True False False True  0 0 -1 False True  A110 857 -4.653  -4.547  10.004  1 858\nATOM   C C   . GLU    B 0 110 . 110 GLU    B C   98.6  1.0 ?  -1  True False False True  0 0 -1 False True  A110 858 -5.444  -3.251  9.853   1 859\nATOM   O O   . GLU    B 0 110 . 110 GLU    B O   98.6  1.0 ?  -1  True False False True  0 0 -1 False True  A110 859 -5.115  -2.239  10.475  1 860\nATOM   C CB  . GLU    B 0 110 . 110 GLU    B CB  98.6  1.0 ?  -1  True False False True  0 0 -1 False True  A110 860 -5.177  -5.339  11.204  1 861\nATOM   C CG  . GLU    B 0 110 . 110 GLU    B CG  98.6  1.0 ?  -1  True False False True  0 0 -1 False True  A110 861 -6.644  -5.733  11.106  1 862\nATOM   C CD  . GLU    B 0 110 . 110 GLU    B CD  98.6  1.0 ?  -1  True False False True  0 0 -1 False True  A110 862 -7.138  -6.458  12.327  1 863\nATOM   O OE1 . GLU    B 0 110 . 110 GLU    B OE1 98.6  1.0 ?  -1  True False False True  0 0 -1 False True  A110 863 -6.358  -6.672  13.223  1 864\nATOM   O OE2 . GLU    B 0 110 . 110 GLU    B OE2 98.6  1.0 ?  -1  True False False True  0 0 -1 False True  A110 864 -8.297  -6.798  12.363  1 865\nATOM   N N   . LEU    B 0 111 . 111 LEU    B N   98.61 1.0 ?  -1  True False False True  0 0 -1 False True  A111 865 -6.449  -3.291  8.889   1 866\nATOM   C CA  . LEU    B 0 111 . 111 LEU    B CA  98.61 1.0 ?  -1  True False False True  0 0 -1 False True  A111 866 -7.422  -2.215  8.738   1 867\nATOM   C C   . LEU    B 0 111 . 111 LEU    B C   98.61 1.0 ?  -1  True False False True  0 0 -1 False True  A111 867 -8.815  -2.681  9.146   1 868\nATOM   O O   . LEU    B 0 111 . 111 LEU    B O   98.61 1.0 ?  -1  True False False True  0 0 -1 False True  A111 868 -9.298  -3.707  8.661   1 869\nATOM   C CB  . LEU    B 0 111 . 111 LEU    B CB  98.61 1.0 ?  -1  True False False True  0 0 -1 False True  A111 869 -7.442  -1.709  7.293   1 870\nATOM   C CG  . LEU    B 0 111 . 111 LEU    B CG  98.61 1.0 ?  -1  True False False True  0 0 -1 False True  A111 870 -8.529  -0.691  6.945   1 871\nATOM   C CD1 . LEU    B 0 111 . 111 LEU    B CD1 98.61 1.0 ?  -1  True False False True  0 0 -1 False True  A111 871 -8.317  0.599   7.731   1 872\nATOM   C CD2 . LEU    B 0 111 . 111 LEU    B CD2 98.61 1.0 ?  -1  True False False True  0 0 -1 False True  A111 872 -8.543  -0.414  5.446   1 873\nATOM   N N   . ARG    B 0 112 . 112 ARG    B N   98.5  1.0 ?  -1  True False False True  0 0 -1 False True  A112 873 -9.469  -1.952  10.088  1 874\nATOM   C CA  . ARG    B 0 112 . 112 ARG    B CA  98.5  1.0 ?  -1  True False False True  0 0 -1 False True  A112 874 -10.833 -2.232  10.524  1 875\nATOM   C C   . ARG    B 0 112 . 112 ARG    B C   98.5  1.0 ?  -1  True False False True  0 0 -1 False True  A112 875 -11.756 -1.055  10.226  1 876\nATOM   O O   . ARG    B 0 112 . 112 ARG    B O   98.5  1.0 ?  -1  True False False True  0 0 -1 False True  A112 876 -11.427 0.092   10.535  1 877\nATOM   C CB  . ARG    B 0 112 . 112 ARG    B CB  98.5  1.0 ?  -1  True False False True  0 0 -1 False True  A112 877 -10.868 -2.537  12.014  1 878\nATOM   C CG  . ARG    B 0 112 . 112 ARG    B CG  98.5  1.0 ?  -1  True False False True  0 0 -1 False True  A112 878 -10.038 -3.738  12.441  1 879\nATOM   C CD  . ARG    B 0 112 . 112 ARG    B CD  98.5  1.0 ?  -1  True False False True  0 0 -1 False True  A112 879 -10.083 -3.942  13.912  1 880\nATOM   N NE  . ARG    B 0 112 . 112 ARG    B NE  98.5  1.0 ?  -1  True False False True  0 0 -1 False True  A112 880 -9.148  -4.967  14.346  1 881\nATOM   C CZ  . ARG    B 0 112 . 112 ARG    B CZ  98.5  1.0 ?  -1  True False False True  0 0 -1 False True  A112 881 -8.799  -5.191  15.628  1 882\nATOM   N NH1 . ARG    B 0 112 . 112 ARG    B NH1 98.5  1.0 ?  -1  True False False True  0 0 -1 False True  A112 882 -9.314  -4.455  16.587  1 883\nATOM   N NH2 . ARG    B 0 112 . 112 ARG    B NH2 98.5  1.0 +1 -1  True False False True  0 0 -1 False True  A112 883 -7.938  -6.15   15.921  1 884\nATOM   N N   . VAL    B 0 113 . 113 VAL    B N   98.01 1.0 ?  -1  True False False True  0 0 -1 False True  A113 884 -12.814 -1.376  9.521   1 885\nATOM   C CA  . VAL    B 0 113 . 113 VAL    B CA  98.01 1.0 ?  -1  True False False True  0 0 -1 False True  A113 885 -13.804 -0.354  9.194   1 886\nATOM   C C   . VAL    B 0 113 . 113 VAL    B C   98.01 1.0 ?  -1  True False False True  0 0 -1 False True  A113 886 -15.116 -0.656  9.915   1 887\nATOM   O O   . VAL    B 0 113 . 113 VAL    B O   98.01 1.0 ?  -1  True False False True  0 0 -1 False True  A113 887 -15.697 -1.729  9.738   1 888\nATOM   C CB  . VAL    B 0 113 . 113 VAL    B CB  98.01 1.0 ?  -1  True False False True  0 0 -1 False True  A113 888 -14.046 -0.299  7.674   1 889\nATOM   C CG1 . VAL    B 0 113 . 113 VAL    B CG1 98.01 1.0 ?  -1  True False False True  0 0 -1 False True  A113 889 -15.06  0.783   7.335   1 890\nATOM   C CG2 . VAL    B 0 113 . 113 VAL    B CG2 98.01 1.0 ?  -1  True False False True  0 0 -1 False True  A113 890 -12.732 -0.054  6.949   1 891\nATOM   N N   . THR    B 0 114 . 114 THR    B N   97.22 1.0 ?  -1  True False False True  0 0 -1 False True  A114 891 -15.452 0.296   10.779  1 892\nATOM   C CA  . THR    B 0 114 . 114 THR    B CA  97.22 1.0 ?  -1  True False False True  0 0 -1 False True  A114 892 -16.59  0.067   11.663  1 893\nATOM   C C   . THR    B 0 114 . 114 THR    B C   97.22 1.0 ?  -1  True False False True  0 0 -1 False True  A114 893 -17.821 0.818   11.167  1 894\nATOM   O O   . THR    B 0 114 . 114 THR    B O   97.22 1.0 ?  -1  True False False True  0 0 -1 False True  A114 894 -17.742 1.579   10.2    1 895\nATOM   C CB  . THR    B 0 114 . 114 THR    B CB  97.22 1.0 ?  -1  True False False True  0 0 -1 False True  A114 895 -16.267 0.493   13.108  1 896\nATOM   O OG1 . THR    B 0 114 . 114 THR    B OG1 97.22 1.0 ?  -1  True False False True  0 0 -1 False True  A114 896 -16.107 1.916   13.164  1 897\nATOM   C CG2 . THR    B 0 114 . 114 THR    B CG2 97.22 1.0 ?  -1  True False False True  0 0 -1 False True  A114 897 -14.989 -0.177  13.588  1 898\nATOM   N N   . GLU    B 0 115 . 115 GLU    B N   94.32 1.0 ?  -1  True False False True  0 0 -1 False True  A115 898 -18.936 0.507   11.689  1 899\nATOM   C CA  . GLU    B 0 115 . 115 GLU    B CA  94.32 1.0 ?  -1  True False False True  0 0 -1 False True  A115 899 -20.182 1.198   11.373  1 900\nATOM   C C   . GLU    B 0 115 . 115 GLU    B C   94.32 1.0 ?  -1  True False False True  0 0 -1 False True  A115 900 -20.293 2.513   12.139  1 901\nATOM   O O   . GLU    B 0 115 . 115 GLU    B O   94.32 1.0 ?  -1  True False False True  0 0 -1 False True  A115 901 -19.8   2.626   13.264  1 902\nATOM   C CB  . GLU    B 0 115 . 115 GLU    B CB  94.32 1.0 ?  -1  True False False True  0 0 -1 False True  A115 902 -21.383 0.306   11.695  1 903\nATOM   C CG  . GLU    B 0 115 . 115 GLU    B CG  94.32 1.0 ?  -1  True False False True  0 0 -1 False True  A115 903 -22.731 0.909   11.323  1 904\nATOM   C CD  . GLU    B 0 115 . 115 GLU    B CD  94.32 1.0 ?  -1  True False False True  0 0 -1 False True  A115 904 -23.882 -0.016  11.603  1 905\nATOM   O OE1 . GLU    B 0 115 . 115 GLU    B OE1 94.32 1.0 ?  -1  True False False True  0 0 -1 False True  A115 905 -23.645 -1.108  12.061  1 906\nATOM   O OE2 . GLU    B 0 115 . 115 GLU    B OE2 94.32 1.0 ?  -1  True False False True  0 0 -1 False True  A115 906 -25.001 0.369   11.357  1 907\nATOM   O OXT . GLU    B 0 115 . 115 GLU    B OXT 94.32 1.0 ?  -1  True False False True  0 0 -1 False True  A115 907 -20.862 3.448   11.647  1 908\n#\n_rfd_design.sampled_contig   80-150,/0,A1-115\n#\nloop_\n_chem_comp_atom.comp_id \n_chem_comp_atom.atom_id \n_chem_comp_atom.type_symbol \n_chem_comp_atom.charge \n_chem_comp_atom.pdbx_aromatic_flag \n_chem_comp_atom.pdbx_leaving_atom_flag \n_chem_comp_atom.pdbx_model_Cartn_x_ideal \n_chem_comp_atom.pdbx_model_Cartn_y_ideal \n_chem_comp_atom.pdbx_model_Cartn_z_ideal \nALA    N    N 0 N N -0.9660000205039978   0.49300000071525574    1.5\nALA    CA   C 0 N N 0.25699999928474426   0.4180000126361847     0.6919999718666077\nALA    C    C 0 N N -0.09399999678134918  0.017000000923871994   -0.7160000205039978\nALA    O    O 0 N N -1.055999994277954    -0.6819999814033508    -0.9229999780654907\nALA    CB   C 0 N N 1.2039999961853027    -0.6200000047683716    1.2960000038146973\nALA    OXT  O 0 N Y 0.6610000133514404    0.4390000104904175     -1.7419999837875366\nALA    H    H 0 N N -1.3830000162124634   -0.42500001192092896   1.4819999933242798\nALA    H2   H 0 N Y -0.6759999990463257   0.6610000133514404     2.4519999027252197\nALA    HA   H 0 N N 0.7459999918937683    1.3919999599456787     0.6819999814033508\nALA    HB1  H 0 N N 1.4589999914169312    -0.33000001311302185   2.315999984741211\nALA    HB2  H 0 N N 0.7149999737739563    -1.593999981880188     1.3070000410079956\nALA    HB3  H 0 N N 2.11299991607666      -0.6759999990463257    0.6970000267028809\nALA    HXT  H 0 N Y 0.4350000023841858    0.18199999630451202    -2.6470000743865967\nARG    N    N 0 N N -0.4690000116825104   1.1100000143051147     -0.9929999709129333\nARG    CA   C 0 N N 0.004000000189989805  2.2939999103546143     -1.7079999446868896\nARG    C    C 0 N N -0.9070000052452087   2.5209999084472656     -2.9010000228881836\nARG    O    O 0 N N -1.8270000219345093   1.7890000343322754     -3.242000102996826\nARG    CB   C 0 N N 1.475000023841858     2.1500000953674316     -2.127000093460083\nARG    CG   C 0 N N 1.7450000047683716    1.0169999599456787     -3.130000114440918\nARG    CD   C 0 N N 3.2100000381469727    0.9539999961853027     -3.556999921798706\nARG    NE   N 0 N N 4.071000099182129     0.7260000109672546     -2.4210000038146973\nARG    CZ   C 0 N N 5.468999862670898     0.6240000128746033     -2.5280001163482666\nARG    NH1  N 0 N N 6.258999824523926     0.40400001406669617    -1.4049999713897705\nARG    NH2  N 1 N N 6.078000068664551     0.7440000176429749     -3.7730000019073486\nARG    OXT  O 0 N Y -0.5879999995231628   3.6589999198913574     -3.5739998817443848\nARG    H    H 0 N N -0.057999998331069946 0.902999997138977      -0.10899999737739563\nARG    H2   H 0 N Y -1.0240000486373901   0.4519999921321869     -1.49399995803833\nARG    HA   H 0 N N -0.10300000011920929  3.1519999504089355     -1.034000039100647\nARG    HB2  H 0 N N 2.0859999656677246    1.9880000352859497     -1.2300000190734863\nARG    HB3  H 0 N N 1.8140000104904175    3.0989999771118164     -2.562999963760376\nARG    HG2  H 0 N N 1.1360000371932983    1.1699999570846558     -4.0289998054504395\nARG    HG3  H 0 N N 1.4470000267028809    0.05400000140070915    -2.697999954223633\nARG    HD2  H 0 N N 3.3480000495910645    0.13300000131130219    -4.269000053405762\nARG    HD3  H 0 N N 3.505000114440918     1.8799999952316284     -4.061999797821045\nARG    HE   H 0 N N 3.6740000247955322    0.6269999742507935     -1.4789999723434448\nARG    HH11 H 0 N N 7.270999908447266     0.3310000002384186     -1.4839999675750732\nARG    HH12 H 0 N N 5.857999801635742     0.3070000112056732     -0.47600001096725464\nARG    HH21 H 0 N N 5.53000020980835      0.906000018119812      -4.613999843597412\nARG    HH22 H 0 N N 7.0879998207092285    0.675000011920929      -3.874000072479248\nARG    HXT  H 0 N Y -1.1490000486373901   3.8550000190734863     -4.355000019073486\nASN    N    N 0 N N -0.2930000126361847   1.6859999895095825     0.09399999678134918\nASN    CA   C 0 N N -0.4480000138282776   0.2919999957084656     -0.3400000035762787\nASN    C    C 0 N N -1.8459999561309814   -0.17900000512599945   -0.03099999949336052\nASN    O    O 0 N N -2.509999990463257    0.4020000100135803     0.7940000295639038\nASN    CB   C 0 N N 0.5619999766349792    -0.5879999995231628    0.4009999930858612\nASN    CG   C 0 N N 1.9600000381469727    -0.19699999690055847   -0.0020000000949949026\nASN    OD1  O 0 N N 2.131999969482422     0.6970000267028809     -0.8040000200271606\nASN    ND2  N 0 N N 3.0190000534057617    -0.8410000205039978    0.5270000100135803\nASN    OXT  O 0 N Y -2.3529999256134033   -1.2430000305175781    -0.6729999780654907\nASN    H    H 0 N N -0.9039999842643738   2.296999931335449      -0.4269999861717224\nASN    H2   H 0 N Y -0.453000009059906    1.7760000228881836     1.0859999656677246\nASN    HA   H 0 N N -0.27000001072883606  0.22300000488758087    -1.4129999876022339\nASN    HB2  H 0 N N 0.44200000166893005   -0.45100000500679016   1.4759999513626099\nASN    HB3  H 0 N N 0.3889999985694885    -1.6330000162124634    0.1459999978542328\nASN    HD21 H 0 N N 2.88100004196167      -1.555999994277954     1.1679999828338623\nASN    HD22 H 0 N N 3.9189999103546143    -0.5899999737739563    0.2680000066757202\nASN    HXT  H 0 N Y -3.253999948501587    -1.5080000162124634    -0.4410000145435333\nASP    N    N 0 N N -0.31700000166893005  1.687999963760376      0.06599999964237213\nASP    CA   C 0 N N -0.4699999988079071   0.28600001335144043    -0.3440000116825104\nASP    C    C 0 N N -1.8680000305175781   -0.18000000715255737   -0.028999999165534973\nASP    O    O 0 N N -2.5339999198913574   0.41499999165534973    0.7860000133514404\nASP    CB   C 0 N N 0.5389999747276306    -0.5799999833106995    0.4129999876022339\nASP    CG   C 0 N N 1.937999963760376     -0.19499999284744263   0.004000000189989805\nASP    OD1  O 0 N N 2.1089999675750732    0.6809999942779541     -0.8100000023841858\nASP    OD2  O 0 N N 2.992000102996826     -0.8259999752044678    0.5429999828338623\nASP    OXT  O 0 N Y -2.374000072479248    -1.25600004196167      -0.6520000100135803\nASP    H    H 0 N N -0.9279999732971191   2.2890000343322754     -0.46700000762939453\nASP    H2   H 0 N Y -0.4779999852180481   1.7949999570846558     1.055999994277954\nASP    HA   H 0 N N -0.2919999957084656   0.19900000095367432    -1.4160000085830688\nASP    HB2  H 0 N N 0.4189999997615814    -0.42500001192092896   1.4850000143051147\nASP    HB3  H 0 N N 0.367000013589859     -1.6299999952316284    0.17599999904632568\nASP    HD2  H 0 N N 3.86899995803833      -0.5450000166893005    0.25\nASP    HXT  H 0 N Y -3.2750000953674316   -1.5169999599456787    -0.41600000858306885\nCYS    N    N 0 N N 1.5850000381469727    0.4830000102519989     -0.08100000023841858\nCYS    CA   C 0 N N 0.14100000262260437   0.44999998807907104    0.1860000044107437\nCYS    C    C 0 N N -0.0949999988079071   0.006000000052154064   1.6059999465942383\nCYS    O    O 0 N N 0.6850000023841858    -0.7419999837875366    2.1429998874664307\nCYS    CB   C 0 N N -0.5329999923706055   -0.5299999713897705    -0.7739999890327454\nCYS    SG   S 0 N N -0.24699999392032623  0.004000000189989805   -2.4839999675750732\nCYS    OXT  O 0 N Y -1.1740000247955322   0.4429999887943268     2.2750000953674316\nCYS    H    H 0 N N 1.9279999732971191    -0.45399999618530273   0.06300000101327896\nCYS    H2   H 0 N Y 1.6929999589920044    0.6819999814033508     -1.065000057220459\nCYS    HA   H 0 N N -0.2770000100135803   1.4459999799728394     0.041999999433755875\nCYS    HB2  H 0 N N -0.11400000005960464  -1.5260000228881836    -0.6299999952316284\nCYS    HB3  H 0 N N -1.6039999723434448   -0.5540000200271606    -0.574999988079071\nCYS    HG   H 0 N N -0.9039999842643738   -0.9649999737739563    -3.1449999809265137\nCYS    HXT  H 0 N Y -1.3259999752044678   0.15800000727176666    3.186000108718872\nGLN    N    N 0 N N 1.8580000400543213    -0.14800000190734863   1.125\nGLN    CA   C 0 N N 0.5170000195503235    0.45100000500679016    1.1119999885559082\nGLN    C    C 0 N N -0.23600000143051147  0.02199999988079071    2.3440001010894775\nGLN    O    O 0 N N -0.004999999888241291 -1.0490000247955322    2.8510000705718994\nGLN    CB   C 0 N N -0.23600000143051147  -0.013000000268220901  -0.13500000536441803\nGLN    CG   C 0 N N 0.5289999842643738    0.42100000381469727    -1.3849999904632568\nGLN    CD   C 0 N N -0.21299999952316284  -0.035999998450279236  -2.614000082015991\nGLN    OE1  O 0 N N -1.2519999742507935   -0.6499999761581421    -2.5\nGLN    NE2  N 0 N N 0.2770000100135803    0.23600000143051147    -3.8389999866485596\nGLN    OXT  O 0 N Y -1.1649999618530273   0.8309999704360962     2.878000020980835\nGLN    H    H 0 N N 1.7289999723434448    -1.1480000019073486    1.1369999647140503\nGLN    H2   H 0 N Y 2.2860000133514404    0.07800000160932541    0.23999999463558197\nGLN    HA   H 0 N N 0.6050000190734863    1.5369999408721924     1.0989999771118164\nGLN    HB2  H 0 N N -0.3240000009536743   -1.100000023841858     -0.12200000137090683\nGLN    HB3  H 0 N N -1.2309999465942383   0.4309999942779541     -0.14399999380111694\nGLN    HG2  H 0 N N 0.6169999837875366    1.5080000162124634     -1.3980000019073486\nGLN    HG3  H 0 N N 1.5240000486373901    -0.023000000044703484  -1.375\nGLN    HE21 H 0 N N -0.20000000298023224  -0.057999998331069946  -4.630000114440918\nGLN    HE22 H 0 N N 1.1089999675750732    0.7269999980926514     -3.930000066757202\nGLN    HXT  H 0 N Y -1.6490000486373901   0.5559999942779541     3.6689999103546143\nGLU    N    N 0 N N 1.1990000009536743    1.8669999837875366     -0.11699999868869781\nGLU    CA   C 0 N N 1.1380000114440918    0.5149999856948853     0.453000009059906\nGLU    C    C 0 N N 2.364000082015991     -0.25999999046325684   0.04100000113248825\nGLU    O    O 0 N N 3.009999990463257     0.09600000083446503    -0.9160000085830688\nGLU    CB   C 0 N N -0.11299999803304672  -0.20000000298023224   -0.06199999898672104\nGLU    CG   C 0 N N -1.3600000143051147   0.5170000195503235     0.460999995470047\nGLU    CD   C 0 N N -2.5929999351501465   -0.18700000643730164   -0.04600000008940697\nGLU    OE1  O 0 N N -2.484999895095825    -1.1610000133514404    -0.753000020980835\nGLU    OE2  O 0 N N -3.811000108718872    0.26899999380111694    0.28700000047683716\nGLU    OXT  O 0 N Y 2.736999988555908     -1.3450000286102295    0.7369999885559082\nGLU    H    H 0 N N 1.2369999885559082    1.8339999914169312     -1.125\nGLU    H2   H 0 N Y 0.42100000381469727   2.427000045776367      0.19699999690055847\nGLU    HA   H 0 N N 1.0980000495910645    0.5799999833106995     1.5399999618530273\nGLU    HB2  H 0 N N -0.11699999868869781  -0.18700000643730164   -1.1519999504089355\nGLU    HB3  H 0 N N -0.11299999803304672  -1.2309999465942383    0.289000004529953\nGLU    HG2  H 0 N N -1.3569999933242798   0.5040000081062317     1.5509999990463257\nGLU    HG3  H 0 N N -1.3600000143051147   1.5479999780654907     0.10899999737739563\nGLU    HE2  H 0 N N -4.571000099182129    -0.2150000035762787    -0.06199999898672104\nGLU    HXT  H 0 N Y 3.5299999713897705    -1.809000015258789     0.4350000023841858\nGLY    N    N 0 N N 1.930999994277954     0.09000000357627869    -0.03400000184774399\nGLY    CA   C 0 N N 0.7609999775886536    -0.7990000247955322    -0.00800000037997961\nGLY    C    C 0 N N -0.49799999594688416  0.028999999165534973   -0.004999999888241291\nGLY    O    O 0 N N -0.42899999022483826  1.2350000143051147     -0.023000000044703484\nGLY    OXT  O 0 N Y -1.6970000267028809   -0.5740000009536743    0.017999999225139618\nGLY    H    H 0 N N 1.909999966621399     0.7379999756813049     0.7379999756813049\nGLY    H2   H 0 N Y 2.7880001068115234    -0.44200000166893005   -0.03700000047683716\nGLY    HA2  H 0 N N 0.7720000147819519    -1.440000057220459     -0.8889999985694885\nGLY    HA3  H 0 N N 0.7929999828338623    -1.4149999618530273    0.890999972820282\nGLY    HXT  H 0 N Y -2.4769999980926514   -0.0020000000949949026 0.01899999938905239\nHIS    N    N 0 N N -0.03999999910593033  -1.2100000381469727    0.05299999937415123\nHIS    CA   C 0 N N 1.1720000505447388    -1.7089999914169312    0.6520000100135803\nHIS    C    C 0 N N 1.0829999446868896    -3.2070000171661377    0.9049999713897705\nHIS    O    O 0 N N 0.03999999910593033   -3.7699999809265137    1.222000002861023\nHIS    CB   C 0 N N 1.4839999675750732    -0.9750000238418579    1.9620000123977661\nHIS    CG   C 0 Y N 2.940000057220459     -1.059999942779541     2.3529999256134033\nHIS    ND1  N 1 Y N 3.380000114440918     -2.075000047683716     3.128999948501587\nHIS    CD2  C 0 Y N 3.9600000381469727    -0.25099998712539673   2.0460000038146973\nHIS    CE1  C 0 Y N 4.692999839782715     -1.9079999923706055    3.316999912261963\nHIS    NE2  N 0 Y N 5.058000087738037     -0.8009999990463257    2.6619999408721924\nHIS    OXT  O 0 N Y 2.246999979019165     -3.881999969482422     0.7440000176429749\nHIS    H    H 0 N N -0.10199999809265137  -1.1549999713897705    -0.949999988079071\nHIS    H2   H 0 N Y -0.7149999737739563   -0.7409999966621399    0.6340000033378601\nHIS    HA   H 0 N N 1.965000033378601     -1.5579999685287476    -0.08900000154972076\nHIS    HB2  H 0 N N 1.215000033378601     0.08699999749660492    1.878999948501587\nHIS    HB3  H 0 N N 0.859000027179718     -1.3680000305175781    2.7750000953674316\nHIS    HD1  H 0 N N 2.828000068664551     -2.8380000591278076    3.510999917984009\nHIS    HD2  H 0 N N 4.107999801635742     0.6470000147819519     1.4789999723434448\nHIS    HE1  H 0 N N 5.340000152587891     -2.549999952316284     3.8919999599456787\nHIS    HE2  H 0 N N 6.001999855041504     -0.42800000309944153   2.627000093460083\nHIS    HXT  H 0 N Y 2.187999963760376     -4.8480000495910645    0.9010000228881836\nILE    N    N 0 N N -1.944000005722046    0.33500000834465027    -0.34299999475479126\nILE    CA   C 0 N N -0.4869999885559082   0.5189999938011169     -0.36899998784065247\nILE    C    C 0 N N 0.06599999964237213   -0.03200000151991844   -1.656999945640564\nILE    O    O 0 N N -0.48399999737739563  -0.9580000042915344    -2.203000068664551\nILE    CB   C 0 N N 0.14000000059604645   -0.21899999678134918   0.8140000104904175\nILE    CG1  C 0 N N -0.42100000381469727  0.3409999907016754     2.121999979019165\nILE    CG2  C 0 N N 1.6579999923706055    -0.027000000700354576  0.7879999876022339\nILE    CD1  C 0 N N 0.20600000023841858   -0.3970000147819519    3.305000066757202\nILE    OXT  O 0 N Y 1.1710000038146973    0.5040000081062317     -2.197000026702881\nILE    H    H 0 N N -2.111999988555908    -0.656000018119812     -0.4099999964237213\nILE    H2   H 0 N Y -2.25600004196167     0.621999979019165      0.5720000267028809\nILE    HA   H 0 N N -0.2529999911785126   1.5820000171661377     -0.29899999499320984\nILE    HB   H 0 N N -0.09200000017881393  -1.281000018119812     0.7440000176429749\nILE    HG12 H 0 N N -1.5019999742507935   0.20399999618530273    2.1410000324249268\nILE    HG13 H 0 N N -0.18799999356269836  1.402999997138977      2.191999912261963\nILE    HG21 H 0 N N 1.8910000324249268    1.034000039100647      0.8569999933242798\nILE    HG22 H 0 N N 2.1050000190734863    -0.5540000200271606    1.63100004196167\nILE    HG23 H 0 N N 2.059000015258789     -0.4269999861717224    -0.14300000667572021\nILE    HD11 H 0 N N -0.19300000369548798  0.0010000000474974513  4.236999988555908\nILE    HD12 H 0 N N -0.026000000536441803 -1.4600000381469727    3.234999895095825\nILE    HD13 H 0 N N 1.2869999408721924    -0.26100000739097595   3.2860000133514404\nILE    HXT  H 0 N Y 1.5269999504089355    0.15000000596046448    -3.0239999294281006\nLEU    N    N 0 N N -1.6610000133514404   0.6269999742507935     -0.4059999883174896\nLEU    CA   C 0 N N -0.20499999821186066  0.4410000145435333     -0.46700000762939453\nLEU    C    C 0 N N 0.18000000715255737   -0.054999999701976776  -1.8359999656677246\nLEU    O    O 0 N N -0.5910000205039978   -0.7310000061988831    -2.4739999771118164\nLEU    CB   C 0 N N 0.22100000083446503   -0.5830000042915344    0.5849999785423279\nLEU    CG   C 0 N N -0.17000000178813934  -0.07900000363588333   1.9759999513626099\nLEU    CD1  C 0 N N 0.25600001215934753   -1.1039999723434448    3.0290000438690186\nLEU    CD2  C 0 N N 0.5260000228881836    1.253999948501587      2.25\nLEU    OXT  O 0 N Y 1.3819999694824219    0.2540000081062317     -2.3480000495910645\nLEU    H    H 0 N N -2.0769999027252197   -0.2720000147819519    -0.5920000076293945\nLEU    H2   H 0 N Y -1.8839999437332153   0.8579999804496765     0.550000011920929\nLEU    HA   H 0 N N 0.29100000858306885   1.3910000324249268     -0.2709999978542328\nLEU    HB2  H 0 N N 1.3009999990463257    -0.722000002861023     0.5400000214576721\nLEU    HB3  H 0 N N -0.2750000059604645   -1.534000039100647     0.38999998569488525\nLEU    HG   H 0 N N -1.25                 0.057999998331069946   2.0209999084472656\nLEU    HD11 H 0 N N -0.02199999988079071  -0.7450000047683716    4.019000053405762\nLEU    HD12 H 0 N N -0.23999999463558197  -2.055000066757202     2.8329999446868896\nLEU    HD13 H 0 N N 1.3359999656677246    -1.2430000305175781    2.9839999675750732\nLEU    HD21 H 0 N N 1.6059999465942383    1.1150000095367432     2.2049999237060547\nLEU    HD22 H 0 N N 0.22200000286102295   1.9839999675750732     1.5\nLEU    HD23 H 0 N N 0.24699999392032623   1.6130000352859497     3.240999937057495\nLEU    HXT  H 0 N Y 1.6299999952316284    -0.06400000303983688   -3.2260000705718994\nLYS    N    N 0 N N 1.4220000505447388    1.7960000038146973     0.1979999989271164\nLYS    CA   C 0 N N 1.3940000534057617    0.35499998927116394    0.48399999737739563\nLYS    C    C 0 N N 2.6570000648498535    -0.2840000092983246    -0.03200000151991844\nLYS    O    O 0 N N 3.315999984741211     0.2750000059604645     -0.8759999871253967\nLYS    CB   C 0 N N 0.18400000035762787   -0.27799999713897705   -0.20600000023841858\nLYS    CG   C 0 N N -1.1019999980926514   0.28200000524520874    0.40700000524520874\nLYS    CD   C 0 N N -2.312999963760376    -0.35100001096725464   -0.28299999237060547\nLYS    CE   C 0 N N -3.5980000495910645   0.20800000429153442    0.32899999618530273\nLYS    NZ   N 1 N N -4.761000156402588    -0.4000000059604645    -0.3319999873638153\nLYS    OXT  O 0 N Y 3.049999952316284     -1.4759999513626099    0.44600000977516174\nLYS    H    H 0 N N 1.4889999628067017    1.8910000324249268     -0.8040000200271606\nLYS    H2   H 0 N Y 0.5210000276565552    2.1619999408721924     0.46399998664855957\nLYS    HA   H 0 N N 1.3220000267028809    0.20000000298023224    1.559999942779541\nLYS    HB2  H 0 N N 0.20999999344348907   -0.04699999839067459   -1.2699999809265137\nLYS    HB3  H 0 N N 0.210999995470047     -1.3589999675750732    -0.06800000369548798\nLYS    HG2  H 0 N N -1.128000020980835    0.05000000074505806    1.4709999561309814\nLYS    HG3  H 0 N N -1.1299999952316284   1.3630000352859497     0.26899999380111694\nLYS    HD2  H 0 N N -2.2869999408721924   -0.11999999731779099   -1.3480000495910645\nLYS    HD3  H 0 N N -2.2850000858306885   -1.4320000410079956    -0.14499999582767487\nLYS    HE2  H 0 N N -3.625                -0.023000000044703484  1.3940000534057617\nLYS    HE3  H 0 N N -3.625999927520752    1.2890000343322754     0.19200000166893005\nLYS    HZ1  H 0 N N -4.736000061035156    -0.1850000023841858    -1.3179999589920044\nLYS    HZ2  H 0 N N -4.735000133514404    -1.399999976158142     -0.20499999821186066\nLYS    HZ3  H 0 N N -5.609000205993652    -0.03099999949336052   0.07100000232458115\nLYS    HXT  H 0 N Y 3.8610000610351562    -1.8860000371932983    0.11500000208616257\nMET    N    N 0 N N -1.815999984741211    0.1420000046491623     -1.1660000085830688\nMET    CA   C 0 N N -0.3919999897480011   0.49900001287460327    -1.2139999866485596\nMET    C    C 0 N N 0.20600000023841858   0.0020000000949949026  -2.503999948501587\nMET    O    O 0 N N -0.23600000143051147  -0.9890000224113464    -3.0329999923706055\nMET    CB   C 0 N N 0.33399999141693115   -0.14499999582767487   -0.03200000151991844\nMET    CG   C 0 N N -0.27300000190734863  0.35899999737739563    1.2769999504089355\nMET    SD   S 0 N N 0.5889999866485596    -0.4050000011920929    2.677999973297119\nMET    CE   C 0 N N -0.3140000104904175   0.3529999852180481     4.056000232696533\nMET    OXT  O 0 N Y 1.2319999933242798    0.6610000133514404     -3.065999984741211\nMET    H    H 0 N N -1.8650000095367432   -0.8640000224113464    -1.2200000286102295\nMET    H2   H 0 N Y -2.1489999294281006   0.39899998903274536    -0.24799999594688416\nMET    HA   H 0 N N -0.28700000047683716  1.5820000171661377     -1.1579999923706055\nMET    HB2  H 0 N N 1.3910000324249268    0.11900000274181366    -0.06800000369548798\nMET    HB3  H 0 N N 0.2290000021457672    -1.2289999723434448    -0.08799999952316284\nMET    HG2  H 0 N N -1.3300000429153442   0.09399999678134918    1.312999963760376\nMET    HG3  H 0 N N -0.1679999977350235   1.4420000314712524     1.3329999446868896\nMET    HE1  H 0 N N 0.09000000357627869   -0.009999999776482582  5.0\nMET    HE2  H 0 N N -0.2070000022649765   1.4359999895095825     4.007999897003174\nMET    HE3  H 0 N N -1.36899995803833     0.08799999952316284    3.98799991607666\nMET    HXT  H 0 N Y 1.6160000562667847    0.34200000762939453    -3.8940000534057617\nPHE    N    N 0 N N 1.3170000314712524    0.9620000123977661     1.0140000581741333\nPHE    CA   C 0 N N -0.019999999552965164 0.4259999990463257     1.2999999523162842\nPHE    C    C 0 N N -0.10899999737739563  0.04699999839067459    2.75600004196167\nPHE    O    O 0 N N 0.8790000081062317    -0.31700000166893005   3.3459999561309814\nPHE    CB   C 0 N N -0.27000001072883606  -0.8090000152587891    0.4339999854564667\nPHE    CG   C 0 Y N -0.1809999942779541   -0.4300000071525574    -1.0199999809265137\nPHE    CD1  C 0 Y N 1.031000018119812     -0.49799999594688416   -1.6799999475479126\nPHE    CD2  C 0 Y N -1.3140000104904175   -0.017999999225139618  -1.6979999542236328\nPHE    CE1  C 0 Y N 1.1119999885559082    -0.15000000596046448   -3.015000104904175\nPHE    CE2  C 0 Y N -1.2309999465942383   0.3330000042915344     -3.0320000648498535\nPHE    CZ   C 0 Y N -0.017999999225139618 0.26499998569488525    -3.690999984741211\nPHE    OXT  O 0 N Y -1.2860000133514404   0.11299999803304672    3.3959999084472656\nPHE    H    H 0 N N 1.975000023841858     0.23000000417232513    1.2350000143051147\nPHE    H2   H 0 N Y 1.3650000095367432    1.1039999723434448     0.017000000923871994\nPHE    HA   H 0 N N -0.7699999809265137   1.184000015258789      1.0759999752044678\nPHE    HB2  H 0 N N 0.47999998927116394   -1.5679999589920044    0.6589999794960022\nPHE    HB3  H 0 N N -1.2619999647140503   -1.2070000171661377    0.6460000276565552\nPHE    HD1  H 0 N N 1.9149999618530273    -0.8240000009536743    -1.1519999504089355\nPHE    HD2  H 0 N N -2.26200008392334     0.03400000184774399    -1.1829999685287476\nPHE    HE1  H 0 N N 2.059999942779541     -0.2029999941587448    -3.5299999713897705\nPHE    HE2  H 0 N N -2.115999937057495    0.6589999794960022     -3.559999942779541\nPHE    HZ   H 0 N N 0.04500000178813934   0.5379999876022339     -4.734000205993652\nPHE    HXT  H 0 N Y -1.343000054359436    -0.12999999523162842   4.329999923706055\nPRO    N    N 0 N N -0.8159999847412109   1.1080000400543213     0.2540000081062317\nPRO    CA   C 0 N N 0.0010000000474974513 -0.10700000077486038   0.5090000033378601\nPRO    C    C 0 N N 1.4079999923706055    0.09099999815225601    0.004999999888241291\nPRO    O    O 0 N N 1.649999976158142     0.9800000190734863     -0.7770000100135803\nPRO    CB   C 0 N N -0.703000009059906    -1.2269999980926514    -0.28600001335144043\nPRO    CG   C 0 N N -2.1630001068115234   -0.753000020980835     -0.4390000104904175\nPRO    CD   C 0 N N -2.2179999351501465   0.6140000224113464     0.2759999930858612\nPRO    OXT  O 0 N Y 2.3910000324249268    -0.7210000157356262    0.42399999499320984\nPRO    H    H 0 N Y -0.7070000171661377   1.7079999446868896     1.0570000410079956\nPRO    HA   H 0 N N 0.008999999612569809  -0.34299999475479126   1.5729999542236328\nPRO    HB2  H 0 N N -0.23999999463558197  -1.3450000286102295    -1.2660000324249268\nPRO    HB3  H 0 N N -0.6660000085830688   -2.1649999618530273    0.2669999897480011\nPRO    HG2  H 0 N N -2.4159998893737793   -0.6380000114440918    -1.4930000305175781\nPRO    HG3  H 0 N N -2.8429999351501465   -1.4579999446868896    0.03999999910593033\nPRO    HD2  H 0 N N -2.871999979019165    1.2999999523162842     -0.2630000114440918\nPRO    HD3  H 0 N N -2.559000015258789    0.492000013589859      1.3040000200271606\nPRO    HXT  H 0 N Y 3.2929999828338623    -0.593999981880188     0.10100000351667404\nSER    N    N 0 N N 1.524999976158142     0.49300000071525574    -0.6079999804496765\nSER    CA   C 0 N N 0.10000000149011612   0.4690000116825104     -0.25200000405311584\nSER    C    C 0 N N -0.05299999937415123  0.004000000189989805   1.1729999780654907\nSER    O    O 0 N N 0.7509999871253967    -0.7599999904632568    1.6490000486373901\nSER    CB   C 0 N N -0.6420000195503235   -0.48899999260902405   -1.184000015258789\nSER    OG   O 0 N N -0.4959999918937683   -0.04899999871850014   -2.5350000858306885\nSER    OXT  O 0 N Y -1.0839999914169312   0.4399999976158142     1.9129999876022339\nSER    H    H 0 N N 1.8669999837875366    -0.4490000009536743    -0.49900001287460327\nSER    H2   H 0 N Y 1.5740000009536743    0.7070000171661377     -1.593000054359436\nSER    HA   H 0 N N -0.3160000145435333   1.4709999561309814     -0.3540000021457672\nSER    HB2  H 0 N N -0.22499999403953552  -1.4910000562667847    -1.0809999704360962\nSER    HB3  H 0 N N -1.6990000009536743   -0.5070000290870667    -0.9200000166893005\nSER    HG   H 0 N N -0.9779999852180481   -0.6790000200271606    -3.0880000591278076\nSER    HXT  H 0 N Y -1.1829999685287476   0.1420000046491623     2.828000068664551\nTHR    N    N 0 N N 1.5429999828338623    -0.7020000219345093    0.4300000071525574\nTHR    CA   C 0 N N 0.12200000137090683   -0.7059999704360962    0.0560000017285347\nTHR    C    C 0 N N -0.03799999877810478  -0.09000000357627869   -1.309000015258789\nTHR    O    O 0 N N 0.7319999933242798    0.7609999775886536     -1.6829999685287476\nTHR    CB   C 0 N N -0.675000011920929    0.10400000214576721    1.0789999961853027\nTHR    OG1  O 0 N N -0.19300000369548798  1.4479999542236328     1.1030000448226929\nTHR    CG2  C 0 N N -0.5109999775886536   -0.5210000276565552    2.4660000801086426\nTHR    OXT  O 0 N Y -1.0390000343322754   -0.4880000054836273    -2.109999895095825\nTHR    H    H 0 N N 1.8389999866485596    0.26100000739097595    0.4339999854564667\nTHR    H2   H 0 N Y 1.593000054359436     -1.024999976158142     1.3849999904632568\nTHR    HA   H 0 N N -0.24500000476837158  -1.7319999933242798    0.03799999877810478\nTHR    HB   H 0 N N -1.7289999723434448   0.10100000351667404    0.8019999861717224\nTHR    HG1  H 0 N N 0.7400000095367432    1.406000018119812      1.3519999980926514\nTHR    HG21 H 0 N N -1.0800000429153442   0.0560000017285347     3.194000005722046\nTHR    HG22 H 0 N N -0.8790000081062317   -1.5470000505447388    2.447999954223633\nTHR    HG23 H 0 N N 0.5419999957084656    -0.5180000066757202    2.743000030517578\nTHR    HXT  H 0 N Y -1.1430000066757202   -0.09200000017881393   -2.9860000610351562\nTRP    N    N 0 N N 1.277999997138977     1.121000051498413      2.059000015258789\nTRP    CA   C 0 N N -0.00800000037997961  0.4169999957084656     1.9700000286102295\nTRP    C    C 0 N N -0.49000000953674316  0.07599999755620956    3.3570001125335693\nTRP    O    O 0 N N 0.30799999833106995   -0.12999999523162842   4.239999771118164\nTRP    CB   C 0 N N 0.1679999977350235    -0.8679999709129333    1.1610000133514404\nTRP    CG   C 0 Y N 0.6499999761581421    -0.5260000228881836    -0.22499999403953552\nTRP    CD1  C 0 Y N 1.9279999732971191    -0.4180000126361847    -0.621999979019165\nTRP    CD2  C 0 Y N -0.1860000044107437   -0.25600001215934753   -1.3960000276565552\nTRP    NE1  N 0 Y N 1.9780000448226929    -0.0949999988079071    -1.9509999752044678\nTRP    CE2  C 0 Y N 0.7009999752044678    0.014000000432133675   -2.4539999961853027\nTRP    CE3  C 0 Y N -1.5640000104904175   -0.20999999344348907   -1.6150000095367432\nTRP    CZ2  C 0 Y N 0.1899999976158142    0.3140000104904175     -3.7119998931884766\nTRP    CZ3  C 0 Y N -2.0439999103546143   0.0860000029206276     -2.8589999675750732\nTRP    CH2  C 0 Y N -1.1729999780654907   0.3479999899864197     -3.9070000648498535\nTRP    OXT  O 0 N Y -1.805999994277954    0.0010000000474974513  3.609999895095825\nTRP    H    H 0 N N 1.9210000038146973    0.49300000071525574    2.5179998874664307\nTRP    H2   H 0 N Y 1.6109999418258667    1.2369999885559082     1.1130000352859497\nTRP    HA   H 0 N N -0.7400000095367432   1.0579999685287476     1.4789999723434448\nTRP    HB2  H 0 N N 0.8999999761581421    -1.5089999437332153    1.6519999504089355\nTRP    HB3  H 0 N N -0.7860000133514404   -1.3899999856948853    1.0950000286102295\nTRP    HD1  H 0 N N 2.7890000343322754    -0.5640000104904175    0.012000000104308128\nTRP    HE1  H 0 N N 2.7909998893737793    0.035999998450279236   -2.4619998931884766\nTRP    HE3  H 0 N N -2.247999906539917    -0.4129999876022339    -0.8040000200271606\nTRP    HZ2  H 0 N N 0.8600000143051147    0.5210000276565552     -4.533999919891357\nTRP    HZ3  H 0 N N -3.109999895095825    0.11599999666213989    -3.0290000438690186\nTRP    HH2  H 0 N N -1.5670000314712524   0.5820000171661377     -4.885000228881836\nTRP    HXT  H 0 N Y -2.115000009536743    -0.21699999272823334   4.5\nTYR    N    N 0 N N 1.3200000524520874    0.9520000219345093     1.4279999732971191\nTYR    CA   C 0 N N -0.017999999225139618 0.42899999022483826    1.7339999675750732\nTYR    C    C 0 N N -0.10300000011920929  0.09399999678134918    3.2009999752044678\nTYR    O    O 0 N N 0.8859999775886536    -0.2540000081062317    3.7990000247955322\nTYR    CB   C 0 N N -0.27399998903274536  -0.8309999704360962    0.9070000052452087\nTYR    CG   C 0 Y N -0.1889999955892563   -0.4959999918937683    -0.5590000152587891\nTYR    CD1  C 0 Y N 1.0219999551773071    -0.5889999866485596    -1.218999981880188\nTYR    CD2  C 0 Y N -1.3240000009536743   -0.10199999809265137   -1.24399995803833\nTYR    CE1  C 0 Y N 1.1030000448226929    -0.28200000524520874   -2.562999963760376\nTYR    CE2  C 0 Y N -1.246999979019165    0.20999999344348907    -2.5869998931884766\nTYR    CZ   C 0 Y N -0.03200000151991844  0.11800000071525574    -3.252000093460083\nTYR    OH   O 0 N N 0.04399999976158142   0.41999998688697815    -4.573999881744385\nTYR    OXT  O 0 N Y -1.2790000438690186   0.18400000035762787    3.8420000076293945\nTYR    H    H 0 N N 1.9769999980926514    0.22499999403953552    1.6690000295639038\nTYR    H2   H 0 N Y 1.3650000095367432    1.062999963760376      0.4259999990463257\nTYR    HA   H 0 N N -0.7670000195503235   1.1829999685287476     1.4889999628067017\nTYR    HB2  H 0 N N 0.4729999899864197    -1.5850000381469727    1.1519999504089355\nTYR    HB3  H 0 N N -1.2680000066757202   -1.218999981880188     1.1339999437332153\nTYR    HD1  H 0 N N 1.9049999713897705    -0.9020000100135803    -0.6830000281333923\nTYR    HD2  H 0 N N -2.2690000534057617   -0.03099999949336052   -0.7269999980926514\nTYR    HE1  H 0 N N 2.0490000247955322    -0.3540000021457672    -3.078000068664551\nTYR    HE2  H 0 N N -2.131999969482422    0.5230000019073486     -3.121000051498413\nTYR    HH   H 0 N N -0.12300000339746475  -0.39899998903274536   -5.059000015258789\nTYR    HXT  H 0 N Y -1.3329999446868896   -0.029999999329447746  4.783999919891357\nVAL    N    N 0 N N 1.5640000104904175    -0.6420000195503235    0.45399999618530273\nVAL    CA   C 0 N N 0.14499999582767487   -0.6980000138282776    0.07900000363588333\nVAL    C    C 0 N N -0.03700000047683716  -0.09300000220537186   -1.2879999876022339\nVAL    O    O 0 N N 0.703000009059906     0.7839999794960022     -1.6640000343322754\nVAL    CB   C 0 N N -0.6819999814033508   0.0860000029206276     1.0980000495910645\nVAL    CG1  C 0 N N -0.4970000088214874   -0.527999997138977     2.486999988555908\nVAL    CG2  C 0 N N -0.21799999475479126  1.5429999828338623     1.11899995803833\nVAL    OXT  O 0 N Y -1.0219999551773071   -0.5289999842643738    -2.0889999866485596\nVAL    H    H 0 N N 1.8250000476837158    0.3319999873638153     0.45500001311302185\nVAL    H2   H 0 N Y 1.6239999532699585    -0.9589999914169312    1.409999966621399\nVAL    HA   H 0 N N -0.1860000044107437   -1.7359999418258667    0.06400000303983688\nVAL    HB   H 0 N N -1.7359999418258667   0.04399999976158142    0.8199999928474426\nVAL    HG11 H 0 N N -1.0870000123977661   0.03099999949336052    3.2139999866485596\nVAL    HG12 H 0 N N -0.828000009059906    -1.565999984741211     2.4719998836517334\nVAL    HG13 H 0 N N 0.5550000071525574    -0.4860000014305115    2.765000104904175\nVAL    HG21 H 0 N N 0.8349999785423279    1.5850000381469727     1.3969999551773071\nVAL    HG22 H 0 N N -0.3499999940395355   1.9809999465942383     0.12999999523162842\nVAL    HG23 H 0 N N -0.8080000281333923   2.1029999256134033     1.8450000286102295\nVAL    HXT  H 0 N Y -1.1390000581741333   -0.14000000059604645   -2.9670000076293945\n80-150 UNK  X 0 N N nan                   nan                    nan\n#\n"
    }
  },
  "sampling": {
    "recycle_strategy": "thinking_medium",
    "num_replicates": 1
  },
  "metrics": {
    "tags": [
      "design"
    ]
  }
}

Post it.

Bash

curl -sS -X POST http://localhost:8000/biology/ipd/rfd4-proteina/generative \
  -H 'Content-Type: application/json' \
  -d @request.json | python3 -m json.tool

Supported designs

Coordinate, sequence, motif, hotspot, secondary-structure and molecular-context conditions compose in a single input, so a binder that also preserves a structural motif is expressed by supplying both at once.

Design	What it does
De novo monomer	A new backbone and sequence of the length you ask for, generated from noise with nothing held fixed.
Protein binder	A new protein designed to bind a given target, with the target held fixed and its epitope marked as hotspots.
Peptide-MHC binder	A binder designed against a peptide presented by an MHC complex.
DNA binder	A protein designed to bind a given DNA duplex, with the duplex held by coordinate and sequence.
Nucleic-acid design	Nucleic-acid chains designed under secondary-structure and base-pair conditioning.
Structure prediction	The fold for a sequence you supply, generated without holding any coordinates.
Motif scaffolding	A scaffold built around one or more motif segments held at their given chain positions.
Enzyme active site	A scaffold around a catalytic site whose residues the model places itself, rather than holding them to fixed indices.
Tip-atom scaffolding	The same, where no ligand is present.
Small-molecule binder	A protein designed around a small molecule held at its given pose.
Ligand pocket design	A binding pocket designed around a ligand, preserving any pocket residues you hold.
Antibody CDR design	New CDR loops on a fixed antibody framework, optionally against a fixed antigen.
Nanobody CDR design	New CDR loops on a single-domain framework.
TCR CDR design	New CDR loops on a T-cell receptor framework.
Design refinement	A variation on an existing design, produced by restarting generation partway along the schedule.
Design diversification	A broader spread of variations on a starting structure, from an earlier restart point.
Sequence design	A new sequence and side chains for a backbone you supply, with the backbone held fixed.

The design is stated by the conditioning in the input, so several of these share one task. curl http://localhost:8000/v1/tasks reports what each task accepts and the design problems it covers.

Two rules worth knowing when you author your own conditioning, both of which fail the batch rather than degrade quietly:

Conditioning a side-chain coordinate forces sequence conditioning. Fixed side-chain atoms fingerprint the residue, so identity has to be fixed too.
Do not coordinate-condition a residue the source structure left unresolved. Every residue is expanded to its complete atom set, and slots the crystal never saw arrive as NaN; if that residue is coordinate conditioned, those NaNs become conditioning values. Hold such residues by sequence only — identity is still fixed, and the model places the side chain.

Python client example

Save the following to nim_client.py.

Python

#!/usr/bin/env python3
import json
from pathlib import Path

import requests

response = requests.post(
    url="http://localhost:8000/biology/ipd/rfd4-proteina/generative",
    json=json.loads(Path("request.json").read_text()),
    timeout=1800,
)
response.raise_for_status()
body = response.json()

print("schedule:", body["schedule"]["num_steps"], "steps,",
      body["schedule"]["trunk_passes"], "trunk passes")

for design in body["designs"]:
    print(design["design_id"], (design.get("sequence") or "")[:60])
    Path(f"{design['design_id']}.cif").write_text(design["structure"]["content"])

Run it.

Bash

python3 nim_client.py

What to expect

The request above returned in about 4 seconds on one H100 — one replicate, thinking_medium, warm. The held target comes back unchanged and sequence_adherence.sequence_adherence reports at or near 1.0, beside 27 other metrics per design. Sampling is stochastic, so two runs of the same request differ unless you set sampling.seed.

The first request of a given size is slower. Nothing is warmed at startup, and each length bucket pays for its own compile the first time it is touched. On one H100, measured at a 50-step schedule, that was 22-55 s against a cold bucket versus 3-28 s warm depending on size. It is not "the first request", it is the first request per bucket, so a deployment serving a wide range of sizes pays it several times.

A design is a long request. One replicate holds the GPU for the whole rollout, and a reward-guided search holds it for as many rollouts as beam_width * n_branch * (len(step_checkpoints) - 1) comes to. Set client timeouts accordingly.

rfd4-proteina

Step 1Generate API Key

Step 2Start NIM

Step 3Test the NIM

Supported designs

Python client example

What to expect

Step 1
Generate API Key

Step 2
Start NIM

Step 3
Test the NIM