USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 691 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 THR OG1 : rot -140:sc= 1.7 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 17 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.032) USER MOD Single : A 24 ASN : amide:sc= 2.02 K(o=2,f=-5!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot -148:sc= 1.27 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 2:sc= -0.361 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -171:sc= 0.599 (180deg=0.47) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -5:sc= 2.2 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 170:sc= -0.172 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0473) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 49 N GLU A 4 3.886 -11.988 -2.619 1.00 0.00 N ATOM 50 CA GLU A 4 3.520 -12.662 -1.380 1.00 0.00 C ATOM 51 C GLU A 4 2.585 -11.746 -0.595 1.00 0.00 C ATOM 52 O GLU A 4 2.562 -10.540 -0.836 1.00 0.00 O ATOM 53 CB GLU A 4 4.785 -13.029 -0.589 1.00 0.00 C ATOM 54 CG GLU A 4 4.519 -13.971 0.594 1.00 0.00 C ATOM 55 CD GLU A 4 5.820 -14.498 1.190 1.00 0.00 C ATOM 56 OE1 GLU A 4 6.672 -13.650 1.534 1.00 0.00 O ATOM 57 OE2 GLU A 4 5.943 -15.738 1.284 1.00 0.00 O ATOM 0 HA GLU A 4 2.996 -13.596 -1.583 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.501 -13.499 -1.263 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.249 -12.115 -0.218 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.953 -13.443 1.361 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.903 -14.808 0.263 1.00 0.00 H new ATOM 64 N ILE A 5 1.809 -12.323 0.323 1.00 0.00 N ATOM 65 CA ILE A 5 0.926 -11.588 1.215 1.00 0.00 C ATOM 66 C ILE A 5 1.740 -11.227 2.458 1.00 0.00 C ATOM 67 O ILE A 5 2.514 -12.057 2.933 1.00 0.00 O ATOM 68 CB ILE A 5 -0.308 -12.429 1.593 1.00 0.00 C ATOM 69 CG1 ILE A 5 -0.979 -13.107 0.381 1.00 0.00 C ATOM 70 CG2 ILE A 5 -1.351 -11.547 2.293 1.00 0.00 C ATOM 71 CD1 ILE A 5 -0.484 -14.538 0.132 1.00 0.00 C ATOM 0 H ILE A 5 1.779 -13.332 0.466 1.00 0.00 H new ATOM 0 HA ILE A 5 0.553 -10.689 0.724 1.00 0.00 H new ATOM 0 HB ILE A 5 0.054 -13.215 2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.058 -13.125 0.536 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.795 -12.507 -0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.220 -12.150 2.556 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.918 -11.120 3.198 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.657 -10.744 1.623 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.997 -14.955 -0.735 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.590 -14.524 -0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.693 -15.153 1.008 1.00 0.00 H new ATOM 83 N ILE A 6 1.576 -10.013 2.982 1.00 0.00 N ATOM 84 CA ILE A 6 2.251 -9.553 4.185 1.00 0.00 C ATOM 85 C ILE A 6 1.256 -9.412 5.337 1.00 0.00 C ATOM 86 O ILE A 6 0.044 -9.366 5.130 1.00 0.00 O ATOM 87 CB ILE A 6 3.068 -8.283 3.895 1.00 0.00 C ATOM 88 CG1 ILE A 6 2.283 -7.051 3.410 1.00 0.00 C ATOM 89 CG2 ILE A 6 4.152 -8.615 2.859 1.00 0.00 C ATOM 90 CD1 ILE A 6 1.516 -6.322 4.516 1.00 0.00 C ATOM 0 H ILE A 6 0.958 -9.313 2.572 1.00 0.00 H new ATOM 0 HA ILE A 6 2.975 -10.300 4.510 1.00 0.00 H new ATOM 0 HB ILE A 6 3.474 -7.991 4.864 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.977 -6.352 2.943 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.578 -7.363 2.639 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.738 -7.721 2.646 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.807 -9.392 3.254 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.682 -8.968 1.941 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.990 -5.467 4.091 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.795 -7.003 4.968 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.216 -5.976 5.277 1.00 0.00 H new ATOM 102 N ASP A 7 1.776 -9.382 6.565 1.00 0.00 N ATOM 103 CA ASP A 7 0.978 -9.371 7.776 1.00 0.00 C ATOM 104 C ASP A 7 0.358 -7.995 7.990 1.00 0.00 C ATOM 105 O ASP A 7 1.030 -6.969 7.872 1.00 0.00 O ATOM 106 CB ASP A 7 1.849 -9.740 8.985 1.00 0.00 C ATOM 107 CG ASP A 7 2.447 -11.136 8.854 1.00 0.00 C ATOM 108 OD1 ASP A 7 3.513 -11.232 8.207 1.00 0.00 O ATOM 109 OD2 ASP A 7 1.824 -12.076 9.393 1.00 0.00 O ATOM 0 H ASP A 7 2.781 -9.365 6.741 1.00 0.00 H new ATOM 0 HA ASP A 7 0.180 -10.106 7.672 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.652 -9.010 9.089 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.249 -9.686 9.894 1.00 0.00 H new ATOM 114 N ILE A 8 -0.922 -7.984 8.348 1.00 0.00 N ATOM 115 CA ILE A 8 -1.607 -6.814 8.844 1.00 0.00 C ATOM 116 C ILE A 8 -1.299 -6.684 10.337 1.00 0.00 C ATOM 117 O ILE A 8 -1.493 -7.626 11.101 1.00 0.00 O ATOM 118 CB ILE A 8 -3.117 -6.881 8.552 1.00 0.00 C ATOM 119 CG1 ILE A 8 -3.722 -8.267 8.245 1.00 0.00 C ATOM 120 CG2 ILE A 8 -3.415 -5.949 7.373 1.00 0.00 C ATOM 121 CD1 ILE A 8 -3.737 -9.212 9.451 1.00 0.00 C ATOM 0 H ILE A 8 -1.518 -8.811 8.297 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.253 -5.921 8.330 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.591 -6.585 9.488 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.742 -8.137 7.884 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.155 -8.731 7.438 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.481 -5.979 7.146 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.128 -4.930 7.633 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.849 -6.274 6.500 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.176 -10.166 9.160 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.717 -9.373 9.800 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.329 -8.770 10.252 1.00 0.00 H new ATOM 133 N GLY A 9 -0.780 -5.526 10.746 1.00 0.00 N ATOM 134 CA GLY A 9 -0.329 -5.266 12.099 1.00 0.00 C ATOM 135 C GLY A 9 -0.033 -3.772 12.249 1.00 0.00 C ATOM 136 O GLY A 9 -0.408 -2.992 11.373 1.00 0.00 O ATOM 0 H GLY A 9 -0.662 -4.727 10.123 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.092 -5.572 12.815 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.565 -5.850 12.316 1.00 0.00 H new ATOM 140 N PRO A 10 0.635 -3.352 13.337 1.00 0.00 N ATOM 141 CA PRO A 10 0.900 -1.945 13.610 1.00 0.00 C ATOM 142 C PRO A 10 1.657 -1.281 12.459 1.00 0.00 C ATOM 143 O PRO A 10 1.304 -0.183 12.043 1.00 0.00 O ATOM 144 CB PRO A 10 1.673 -1.907 14.933 1.00 0.00 C ATOM 145 CG PRO A 10 2.247 -3.317 15.074 1.00 0.00 C ATOM 146 CD PRO A 10 1.206 -4.191 14.377 1.00 0.00 C ATOM 0 HA PRO A 10 -0.024 -1.373 13.697 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.463 -1.156 14.911 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.019 -1.658 15.769 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.225 -3.402 14.601 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.373 -3.598 16.120 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.663 -5.085 13.954 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.440 -4.525 15.077 1.00 0.00 H new ATOM 154 N PHE A 11 2.677 -1.957 11.925 1.00 0.00 N ATOM 155 CA PHE A 11 3.449 -1.492 10.780 1.00 0.00 C ATOM 156 C PHE A 11 2.532 -1.163 9.594 1.00 0.00 C ATOM 157 O PHE A 11 2.563 -0.071 9.024 1.00 0.00 O ATOM 158 CB PHE A 11 4.469 -2.581 10.419 1.00 0.00 C ATOM 159 CG PHE A 11 5.520 -2.156 9.416 1.00 0.00 C ATOM 160 CD1 PHE A 11 6.688 -1.513 9.868 1.00 0.00 C ATOM 161 CD2 PHE A 11 5.382 -2.485 8.054 1.00 0.00 C ATOM 162 CE1 PHE A 11 7.732 -1.238 8.971 1.00 0.00 C ATOM 163 CE2 PHE A 11 6.425 -2.205 7.156 1.00 0.00 C ATOM 164 CZ PHE A 11 7.606 -1.599 7.619 1.00 0.00 C ATOM 0 H PHE A 11 2.992 -2.858 12.285 1.00 0.00 H new ATOM 0 HA PHE A 11 3.973 -0.570 11.032 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.968 -2.909 11.331 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.934 -3.443 10.021 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.781 -1.231 10.906 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.475 -2.952 7.700 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.630 -0.750 9.319 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.320 -2.455 6.111 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.419 -1.410 6.933 1.00 0.00 H new ATOM 174 N THR A 12 1.686 -2.124 9.228 1.00 0.00 N ATOM 175 CA THR A 12 0.767 -2.018 8.115 1.00 0.00 C ATOM 176 C THR A 12 -0.222 -0.886 8.369 1.00 0.00 C ATOM 177 O THR A 12 -0.471 -0.064 7.492 1.00 0.00 O ATOM 178 CB THR A 12 0.070 -3.377 7.929 1.00 0.00 C ATOM 179 OG1 THR A 12 0.720 -4.365 8.720 1.00 0.00 O ATOM 180 CG2 THR A 12 0.075 -3.793 6.459 1.00 0.00 C ATOM 0 H THR A 12 1.625 -3.018 9.715 1.00 0.00 H new ATOM 0 HA THR A 12 1.295 -1.776 7.193 1.00 0.00 H new ATOM 0 HB THR A 12 -0.966 -3.282 8.253 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.780 -5.202 8.214 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.423 -4.757 6.352 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.452 -3.044 5.867 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.104 -3.875 6.108 1.00 0.00 H new ATOM 188 N GLN A 13 -0.769 -0.824 9.584 1.00 0.00 N ATOM 189 CA GLN A 13 -1.665 0.239 9.978 1.00 0.00 C ATOM 190 C GLN A 13 -0.981 1.601 9.893 1.00 0.00 C ATOM 191 O GLN A 13 -1.596 2.544 9.416 1.00 0.00 O ATOM 192 CB GLN A 13 -2.224 -0.053 11.369 1.00 0.00 C ATOM 193 CG GLN A 13 -3.270 -1.174 11.303 1.00 0.00 C ATOM 194 CD GLN A 13 -4.019 -1.335 12.619 1.00 0.00 C ATOM 195 OE1 GLN A 13 -5.240 -1.233 12.658 1.00 0.00 O ATOM 196 NE2 GLN A 13 -3.300 -1.583 13.711 1.00 0.00 N ATOM 0 H GLN A 13 -0.597 -1.514 10.315 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.503 0.280 9.283 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.415 -0.342 12.039 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.675 0.849 11.783 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.981 -0.959 10.505 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.779 -2.113 11.048 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.285 -1.662 13.646 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.764 -1.694 14.613 1.00 0.00 H new ATOM 205 N ASN A 14 0.281 1.719 10.312 1.00 0.00 N ATOM 206 CA ASN A 14 1.042 2.954 10.163 1.00 0.00 C ATOM 207 C ASN A 14 1.090 3.377 8.695 1.00 0.00 C ATOM 208 O ASN A 14 0.766 4.521 8.368 1.00 0.00 O ATOM 209 CB ASN A 14 2.457 2.800 10.732 1.00 0.00 C ATOM 210 CG ASN A 14 3.252 4.089 10.553 1.00 0.00 C ATOM 211 OD1 ASN A 14 3.974 4.248 9.576 1.00 0.00 O ATOM 212 ND2 ASN A 14 3.126 5.023 11.491 1.00 0.00 N ATOM 0 H ASN A 14 0.799 0.964 10.761 1.00 0.00 H new ATOM 0 HA ASN A 14 0.538 3.736 10.731 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.403 2.544 11.790 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.969 1.978 10.231 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.638 5.901 11.408 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.517 4.861 12.293 1.00 0.00 H new ATOM 219 N LEU A 15 1.453 2.449 7.803 1.00 0.00 N ATOM 220 CA LEU A 15 1.437 2.740 6.372 1.00 0.00 C ATOM 221 C LEU A 15 0.045 3.176 5.923 1.00 0.00 C ATOM 222 O LEU A 15 -0.097 4.160 5.200 1.00 0.00 O ATOM 223 CB LEU A 15 1.916 1.537 5.547 1.00 0.00 C ATOM 224 CG LEU A 15 3.439 1.498 5.367 1.00 0.00 C ATOM 225 CD1 LEU A 15 3.785 0.288 4.490 1.00 0.00 C ATOM 226 CD2 LEU A 15 3.947 2.799 4.721 1.00 0.00 C ATOM 0 H LEU A 15 1.756 1.506 8.044 1.00 0.00 H new ATOM 0 HA LEU A 15 2.131 3.562 6.197 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.590 0.618 6.034 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.441 1.564 4.566 1.00 0.00 H new ATOM 0 HG LEU A 15 3.925 1.407 6.339 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.865 0.239 4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.441 -0.625 4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.295 0.389 3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.029 2.748 4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.481 2.926 3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.691 3.646 5.358 1.00 0.00 H new ATOM 238 N GLY A 16 -0.984 2.453 6.363 1.00 0.00 N ATOM 239 CA GLY A 16 -2.369 2.815 6.115 1.00 0.00 C ATOM 240 C GLY A 16 -2.657 4.251 6.552 1.00 0.00 C ATOM 241 O GLY A 16 -3.263 5.024 5.806 1.00 0.00 O ATOM 0 H GLY A 16 -0.874 1.595 6.904 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.591 2.705 5.054 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.027 2.131 6.651 1.00 0.00 H new ATOM 245 N LYS A 17 -2.209 4.622 7.755 1.00 0.00 N ATOM 246 CA LYS A 17 -2.435 5.941 8.299 1.00 0.00 C ATOM 247 C LYS A 17 -1.806 6.964 7.366 1.00 0.00 C ATOM 248 O LYS A 17 -2.462 7.908 6.942 1.00 0.00 O ATOM 249 CB LYS A 17 -1.837 6.028 9.715 1.00 0.00 C ATOM 250 CG LYS A 17 -2.652 6.915 10.663 1.00 0.00 C ATOM 251 CD LYS A 17 -2.987 8.253 10.001 1.00 0.00 C ATOM 252 CE LYS A 17 -3.614 9.252 10.979 1.00 0.00 C ATOM 253 NZ LYS A 17 -2.629 9.771 11.943 1.00 0.00 N ATOM 0 H LYS A 17 -1.679 4.006 8.371 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.503 6.146 8.377 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.769 5.025 10.136 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.820 6.416 9.650 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.572 6.404 10.946 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.089 7.089 11.580 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.079 8.684 9.580 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.673 8.082 9.171 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.048 10.082 10.421 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.429 8.769 11.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.062 10.529 12.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.321 9.002 12.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.807 10.149 11.430 1.00 0.00 H new ATOM 267 N PHE A 18 -0.532 6.754 7.038 1.00 0.00 N ATOM 268 CA PHE A 18 0.187 7.580 6.083 1.00 0.00 C ATOM 269 C PHE A 18 -0.590 7.706 4.770 1.00 0.00 C ATOM 270 O PHE A 18 -0.759 8.808 4.255 1.00 0.00 O ATOM 271 CB PHE A 18 1.613 7.038 5.879 1.00 0.00 C ATOM 272 CG PHE A 18 2.216 7.431 4.547 1.00 0.00 C ATOM 273 CD1 PHE A 18 2.546 8.779 4.308 1.00 0.00 C ATOM 274 CD2 PHE A 18 2.095 6.541 3.463 1.00 0.00 C ATOM 275 CE1 PHE A 18 2.698 9.245 2.992 1.00 0.00 C ATOM 276 CE2 PHE A 18 2.222 7.013 2.148 1.00 0.00 C ATOM 277 CZ PHE A 18 2.495 8.372 1.910 1.00 0.00 C ATOM 0 H PHE A 18 0.030 6.000 7.433 1.00 0.00 H new ATOM 0 HA PHE A 18 0.278 8.589 6.484 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.252 7.405 6.682 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.596 5.951 5.956 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.682 9.456 5.138 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.904 5.494 3.644 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.971 10.274 2.812 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.110 6.332 1.317 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.548 8.744 0.897 1.00 0.00 H new ATOM 287 N ALA A 19 -1.084 6.590 4.235 1.00 0.00 N ATOM 288 CA ALA A 19 -1.798 6.586 2.966 1.00 0.00 C ATOM 289 C ALA A 19 -3.008 7.516 3.035 1.00 0.00 C ATOM 290 O ALA A 19 -3.198 8.385 2.181 1.00 0.00 O ATOM 291 CB ALA A 19 -2.202 5.158 2.593 1.00 0.00 C ATOM 0 H ALA A 19 -1.000 5.671 4.668 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.139 6.961 2.182 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.735 5.167 1.642 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.309 4.539 2.502 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.850 4.749 3.368 1.00 0.00 H new ATOM 297 N VAL A 20 -3.815 7.347 4.084 1.00 0.00 N ATOM 298 CA VAL A 20 -4.981 8.199 4.278 1.00 0.00 C ATOM 299 C VAL A 20 -4.542 9.642 4.523 1.00 0.00 C ATOM 300 O VAL A 20 -5.162 10.561 3.998 1.00 0.00 O ATOM 301 CB VAL A 20 -5.869 7.658 5.406 1.00 0.00 C ATOM 302 CG1 VAL A 20 -7.026 8.616 5.725 1.00 0.00 C ATOM 303 CG2 VAL A 20 -6.465 6.313 4.977 1.00 0.00 C ATOM 0 H VAL A 20 -3.682 6.635 4.803 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.586 8.191 3.371 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.248 7.549 6.295 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.633 8.199 6.529 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.625 9.580 6.037 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.643 8.750 4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.097 5.924 5.775 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.062 6.451 4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.660 5.606 4.775 1.00 0.00 H new ATOM 313 N ASP A 21 -3.482 9.856 5.305 1.00 0.00 N ATOM 314 CA ASP A 21 -2.974 11.181 5.611 1.00 0.00 C ATOM 315 C ASP A 21 -2.598 11.909 4.321 1.00 0.00 C ATOM 316 O ASP A 21 -2.986 13.055 4.128 1.00 0.00 O ATOM 317 CB ASP A 21 -1.794 11.081 6.582 1.00 0.00 C ATOM 318 CG ASP A 21 -1.183 12.452 6.842 1.00 0.00 C ATOM 319 OD1 ASP A 21 -1.750 13.172 7.692 1.00 0.00 O ATOM 320 OD2 ASP A 21 -0.163 12.754 6.186 1.00 0.00 O ATOM 0 H ASP A 21 -2.952 9.103 5.744 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.752 11.766 6.102 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.129 10.644 7.523 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.036 10.413 6.172 1.00 0.00 H new ATOM 325 N GLU A 22 -1.875 11.229 3.431 1.00 0.00 N ATOM 326 CA GLU A 22 -1.495 11.739 2.125 1.00 0.00 C ATOM 327 C GLU A 22 -2.759 12.132 1.355 1.00 0.00 C ATOM 328 O GLU A 22 -2.883 13.265 0.889 1.00 0.00 O ATOM 329 CB GLU A 22 -0.669 10.680 1.364 1.00 0.00 C ATOM 330 CG GLU A 22 -0.063 11.236 0.068 1.00 0.00 C ATOM 331 CD GLU A 22 1.024 12.270 0.346 1.00 0.00 C ATOM 332 OE1 GLU A 22 2.147 11.831 0.674 1.00 0.00 O ATOM 333 OE2 GLU A 22 0.710 13.476 0.233 1.00 0.00 O ATOM 0 H GLU A 22 -1.532 10.285 3.608 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.869 12.624 2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.130 10.314 2.008 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.305 9.827 1.128 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.356 10.417 -0.517 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.850 11.689 -0.535 1.00 0.00 H new ATOM 340 N GLU A 23 -3.711 11.198 1.229 1.00 0.00 N ATOM 341 CA GLU A 23 -4.926 11.471 0.481 1.00 0.00 C ATOM 342 C GLU A 23 -5.651 12.690 1.056 1.00 0.00 C ATOM 343 O GLU A 23 -6.046 13.578 0.306 1.00 0.00 O ATOM 344 CB GLU A 23 -5.848 10.247 0.457 1.00 0.00 C ATOM 345 CG GLU A 23 -6.944 10.499 -0.589 1.00 0.00 C ATOM 346 CD GLU A 23 -8.045 9.452 -0.580 1.00 0.00 C ATOM 347 OE1 GLU A 23 -8.343 8.940 0.520 1.00 0.00 O ATOM 348 OE2 GLU A 23 -8.593 9.211 -1.676 1.00 0.00 O ATOM 0 H GLU A 23 -3.657 10.263 1.632 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.645 11.695 -0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.283 9.349 0.208 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.290 10.083 1.440 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.385 11.480 -0.412 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.490 10.528 -1.579 1.00 0.00 H new ATOM 355 N ASN A 24 -5.824 12.727 2.378 1.00 0.00 N ATOM 356 CA ASN A 24 -6.453 13.823 3.091 1.00 0.00 C ATOM 357 C ASN A 24 -5.711 15.124 2.811 1.00 0.00 C ATOM 358 O ASN A 24 -6.339 16.152 2.572 1.00 0.00 O ATOM 359 CB ASN A 24 -6.419 13.536 4.598 1.00 0.00 C ATOM 360 CG ASN A 24 -7.664 12.836 5.131 1.00 0.00 C ATOM 361 OD1 ASN A 24 -8.360 12.115 4.423 1.00 0.00 O ATOM 362 ND2 ASN A 24 -7.974 13.059 6.405 1.00 0.00 N ATOM 0 H ASN A 24 -5.520 11.972 2.992 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.485 13.920 2.755 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.547 12.920 4.819 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.288 14.477 5.132 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.804 12.627 6.811 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.382 13.662 6.976 1.00 0.00 H new ATOM 369 N LYS A 25 -4.376 15.087 2.866 1.00 0.00 N ATOM 370 CA LYS A 25 -3.551 16.268 2.665 1.00 0.00 C ATOM 371 C LYS A 25 -3.818 16.876 1.286 1.00 0.00 C ATOM 372 O LYS A 25 -3.907 18.095 1.159 1.00 0.00 O ATOM 373 CB LYS A 25 -2.076 15.906 2.883 1.00 0.00 C ATOM 374 CG LYS A 25 -1.166 17.139 2.915 1.00 0.00 C ATOM 375 CD LYS A 25 0.256 16.708 3.293 1.00 0.00 C ATOM 376 CE LYS A 25 1.190 17.920 3.357 1.00 0.00 C ATOM 377 NZ LYS A 25 2.547 17.525 3.772 1.00 0.00 N ATOM 0 H LYS A 25 -3.844 14.237 3.051 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.810 17.034 3.396 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.974 15.359 3.821 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.748 15.237 2.087 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.163 17.629 1.941 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.542 17.865 3.636 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.243 16.201 4.258 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.631 15.992 2.562 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.231 18.403 2.380 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.791 18.653 4.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.158 18.366 3.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.508 17.086 4.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.934 16.844 3.089 1.00 0.00 H new ATOM 391 N ILE A 26 -3.956 16.035 0.257 1.00 0.00 N ATOM 392 CA ILE A 26 -4.312 16.507 -1.079 1.00 0.00 C ATOM 393 C ILE A 26 -5.788 16.940 -1.106 1.00 0.00 C ATOM 394 O ILE A 26 -6.118 17.988 -1.655 1.00 0.00 O ATOM 395 CB ILE A 26 -3.980 15.438 -2.140 1.00 0.00 C ATOM 396 CG1 ILE A 26 -2.487 15.056 -2.073 1.00 0.00 C ATOM 397 CG2 ILE A 26 -4.304 15.981 -3.542 1.00 0.00 C ATOM 398 CD1 ILE A 26 -2.142 13.844 -2.942 1.00 0.00 C ATOM 0 H ILE A 26 -3.826 15.026 0.326 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.715 17.384 -1.328 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.582 14.551 -1.940 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.885 15.907 -2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.218 14.843 -1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.068 15.223 -4.289 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.364 16.230 -3.600 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.710 16.875 -3.732 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.078 13.624 -2.853 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.720 12.982 -2.610 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.382 14.062 -3.983 1.00 0.00 H new ATOM 410 N GLY A 27 -6.679 16.129 -0.529 1.00 0.00 N ATOM 411 CA GLY A 27 -8.092 16.431 -0.355 1.00 0.00 C ATOM 412 C GLY A 27 -8.959 15.887 -1.490 1.00 0.00 C ATOM 413 O GLY A 27 -10.118 16.281 -1.615 1.00 0.00 O ATOM 0 H GLY A 27 -6.422 15.214 -0.159 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.435 16.011 0.591 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.223 17.511 -0.290 1.00 0.00 H new ATOM 417 N GLN A 28 -8.433 14.964 -2.306 1.00 0.00 N ATOM 418 CA GLN A 28 -9.135 14.441 -3.479 1.00 0.00 C ATOM 419 C GLN A 28 -10.520 13.902 -3.123 1.00 0.00 C ATOM 420 O GLN A 28 -11.485 14.144 -3.844 1.00 0.00 O ATOM 421 CB GLN A 28 -8.314 13.337 -4.158 1.00 0.00 C ATOM 422 CG GLN A 28 -6.995 13.868 -4.724 1.00 0.00 C ATOM 423 CD GLN A 28 -6.253 12.801 -5.519 1.00 0.00 C ATOM 424 OE1 GLN A 28 -5.175 12.365 -5.132 1.00 0.00 O ATOM 425 NE2 GLN A 28 -6.823 12.367 -6.640 1.00 0.00 N ATOM 0 H GLN A 28 -7.507 14.560 -2.168 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.262 15.275 -4.169 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.107 12.545 -3.438 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.900 12.892 -4.962 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.194 14.727 -5.365 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.364 14.219 -3.908 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.721 12.749 -6.936 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.362 11.652 -7.203 1.00 0.00 H new ATOM 434 N TYR A 29 -10.605 13.169 -2.010 1.00 0.00 N ATOM 435 CA TYR A 29 -11.854 12.620 -1.488 1.00 0.00 C ATOM 436 C TYR A 29 -12.258 13.374 -0.212 1.00 0.00 C ATOM 437 O TYR A 29 -12.858 12.813 0.703 1.00 0.00 O ATOM 438 CB TYR A 29 -11.693 11.102 -1.283 1.00 0.00 C ATOM 439 CG TYR A 29 -12.317 10.249 -2.375 1.00 0.00 C ATOM 440 CD1 TYR A 29 -13.717 10.112 -2.419 1.00 0.00 C ATOM 441 CD2 TYR A 29 -11.521 9.546 -3.301 1.00 0.00 C ATOM 442 CE1 TYR A 29 -14.320 9.297 -3.390 1.00 0.00 C ATOM 443 CE2 TYR A 29 -12.124 8.689 -4.240 1.00 0.00 C ATOM 444 CZ TYR A 29 -13.524 8.579 -4.296 1.00 0.00 C ATOM 445 OH TYR A 29 -14.116 7.737 -5.186 1.00 0.00 O ATOM 0 H TYR A 29 -9.793 12.938 -1.438 1.00 0.00 H new ATOM 0 HA TYR A 29 -12.669 12.759 -2.198 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.630 10.867 -1.219 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -12.138 10.828 -0.327 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -14.331 10.637 -1.702 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.448 9.665 -3.290 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -15.396 9.222 -3.440 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.510 8.115 -4.919 1.00 0.00 H new ATOM 0 HH TYR A 29 -13.517 6.984 -5.372 1.00 0.00 H new ATOM 455 N GLY A 30 -11.940 14.667 -0.150 1.00 0.00 N ATOM 456 CA GLY A 30 -12.161 15.467 1.041 1.00 0.00 C ATOM 457 C GLY A 30 -11.331 14.918 2.200 1.00 0.00 C ATOM 458 O GLY A 30 -10.193 14.491 2.001 1.00 0.00 O ATOM 0 H GLY A 30 -11.523 15.183 -0.925 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.889 16.505 0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.219 15.458 1.304 1.00 0.00 H new ATOM 462 N ARG A 31 -11.899 14.939 3.408 1.00 0.00 N ATOM 463 CA ARG A 31 -11.272 14.446 4.620 1.00 0.00 C ATOM 464 C ARG A 31 -11.926 13.125 5.023 1.00 0.00 C ATOM 465 O ARG A 31 -13.124 13.096 5.292 1.00 0.00 O ATOM 466 CB ARG A 31 -11.463 15.477 5.736 1.00 0.00 C ATOM 467 CG ARG A 31 -10.756 16.803 5.431 1.00 0.00 C ATOM 468 CD ARG A 31 -10.867 17.731 6.643 1.00 0.00 C ATOM 469 NE ARG A 31 -10.211 19.018 6.389 1.00 0.00 N ATOM 470 CZ ARG A 31 -10.059 19.985 7.305 1.00 0.00 C ATOM 471 NH1 ARG A 31 -10.527 19.817 8.547 1.00 0.00 N ATOM 472 NH2 ARG A 31 -9.438 21.121 6.971 1.00 0.00 N ATOM 0 H ARG A 31 -12.835 15.312 3.566 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.207 14.285 4.450 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.528 15.660 5.880 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.080 15.071 6.672 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.708 16.622 5.193 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -11.205 17.274 4.557 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.917 17.897 6.882 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.413 17.254 7.512 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.846 19.189 5.452 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.002 18.950 8.800 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.409 20.555 9.241 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.083 21.248 6.023 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.320 21.860 7.664 1.00 0.00 H new ATOM 486 N LEU A 32 -11.141 12.049 5.092 1.00 0.00 N ATOM 487 CA LEU A 32 -11.550 10.767 5.651 1.00 0.00 C ATOM 488 C LEU A 32 -10.863 10.586 7.010 1.00 0.00 C ATOM 489 O LEU A 32 -9.942 11.332 7.340 1.00 0.00 O ATOM 490 CB LEU A 32 -11.136 9.650 4.686 1.00 0.00 C ATOM 491 CG LEU A 32 -11.848 9.732 3.323 1.00 0.00 C ATOM 492 CD1 LEU A 32 -10.920 9.194 2.232 1.00 0.00 C ATOM 493 CD2 LEU A 32 -13.152 8.928 3.334 1.00 0.00 C ATOM 0 H LEU A 32 -10.180 12.049 4.751 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.631 10.731 5.788 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.058 9.695 4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.351 8.685 5.144 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.092 10.775 3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.422 9.251 1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.008 9.791 2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.667 8.156 2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.634 9.003 2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.933 7.882 3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.818 9.325 4.100 1.00 0.00 H new ATOM 505 N THR A 33 -11.283 9.583 7.787 1.00 0.00 N ATOM 506 CA THR A 33 -10.717 9.287 9.100 1.00 0.00 C ATOM 507 C THR A 33 -10.167 7.864 9.075 1.00 0.00 C ATOM 508 O THR A 33 -10.942 6.908 9.104 1.00 0.00 O ATOM 509 CB THR A 33 -11.801 9.468 10.175 1.00 0.00 C ATOM 510 OG1 THR A 33 -12.386 10.747 10.026 1.00 0.00 O ATOM 511 CG2 THR A 33 -11.214 9.355 11.586 1.00 0.00 C ATOM 0 H THR A 33 -12.034 8.949 7.516 1.00 0.00 H new ATOM 0 HA THR A 33 -9.901 9.969 9.341 1.00 0.00 H new ATOM 0 HB THR A 33 -12.545 8.682 10.047 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.080 10.871 10.707 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.007 9.488 12.322 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.761 8.372 11.714 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.455 10.125 11.727 1.00 0.00 H new ATOM 519 N PHE A 34 -8.841 7.711 8.985 1.00 0.00 N ATOM 520 CA PHE A 34 -8.208 6.395 8.964 1.00 0.00 C ATOM 521 C PHE A 34 -8.784 5.495 10.050 1.00 0.00 C ATOM 522 O PHE A 34 -8.884 5.903 11.206 1.00 0.00 O ATOM 523 CB PHE A 34 -6.695 6.510 9.138 1.00 0.00 C ATOM 524 CG PHE A 34 -6.005 5.179 9.370 1.00 0.00 C ATOM 525 CD1 PHE A 34 -5.776 4.306 8.291 1.00 0.00 C ATOM 526 CD2 PHE A 34 -5.714 4.756 10.681 1.00 0.00 C ATOM 527 CE1 PHE A 34 -5.193 3.051 8.517 1.00 0.00 C ATOM 528 CE2 PHE A 34 -5.091 3.517 10.900 1.00 0.00 C ATOM 529 CZ PHE A 34 -4.803 2.678 9.813 1.00 0.00 C ATOM 0 H PHE A 34 -8.185 8.490 8.925 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.415 5.949 7.991 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.271 6.979 8.250 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.484 7.170 9.979 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.049 4.602 7.289 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.971 5.386 11.520 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.044 2.370 7.692 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.834 3.210 11.903 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.282 1.746 9.973 1.00 0.00 H new ATOM 539 N ASN A 35 -9.171 4.285 9.650 1.00 0.00 N ATOM 540 CA ASN A 35 -9.705 3.275 10.549 1.00 0.00 C ATOM 541 C ASN A 35 -8.642 2.197 10.751 1.00 0.00 C ATOM 542 O ASN A 35 -8.134 2.045 11.859 1.00 0.00 O ATOM 543 CB ASN A 35 -11.000 2.685 9.978 1.00 0.00 C ATOM 544 CG ASN A 35 -12.279 3.409 10.387 1.00 0.00 C ATOM 545 OD1 ASN A 35 -13.202 2.775 10.885 1.00 0.00 O ATOM 546 ND2 ASN A 35 -12.391 4.712 10.138 1.00 0.00 N ATOM 0 H ASN A 35 -9.120 3.979 8.678 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.951 3.720 11.513 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.932 2.687 8.890 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.075 1.644 10.291 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.257 5.201 10.362 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.610 5.221 9.723 1.00 0.00 H new ATOM 553 N LYS A 36 -8.317 1.439 9.696 1.00 0.00 N ATOM 554 CA LYS A 36 -7.377 0.320 9.770 1.00 0.00 C ATOM 555 C LYS A 36 -6.988 -0.132 8.358 1.00 0.00 C ATOM 556 O LYS A 36 -7.313 0.547 7.386 1.00 0.00 O ATOM 557 CB LYS A 36 -7.941 -0.822 10.637 1.00 0.00 C ATOM 558 CG LYS A 36 -9.241 -1.437 10.106 1.00 0.00 C ATOM 559 CD LYS A 36 -9.710 -2.505 11.100 1.00 0.00 C ATOM 560 CE LYS A 36 -11.007 -3.171 10.635 1.00 0.00 C ATOM 561 NZ LYS A 36 -11.467 -4.170 11.617 1.00 0.00 N ATOM 0 H LYS A 36 -8.702 1.588 8.763 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.463 0.649 10.265 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.189 -1.606 10.717 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.117 -0.444 11.644 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.004 -0.668 9.987 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.078 -1.879 9.123 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.933 -3.261 11.218 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.863 -2.051 12.079 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.778 -2.414 10.492 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.848 -3.651 9.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.348 -4.608 11.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.738 -4.903 11.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.640 -3.705 12.531 1.00 0.00 H new ATOM 575 N VAL A 37 -6.309 -1.278 8.238 1.00 0.00 N ATOM 576 CA VAL A 37 -5.948 -1.923 6.981 1.00 0.00 C ATOM 577 C VAL A 37 -6.415 -3.374 7.079 1.00 0.00 C ATOM 578 O VAL A 37 -6.390 -3.931 8.177 1.00 0.00 O ATOM 579 CB VAL A 37 -4.424 -1.842 6.775 1.00 0.00 C ATOM 580 CG1 VAL A 37 -3.956 -2.572 5.510 1.00 0.00 C ATOM 581 CG2 VAL A 37 -3.967 -0.384 6.677 1.00 0.00 C ATOM 0 H VAL A 37 -5.984 -1.800 9.052 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.418 -1.433 6.128 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.980 -2.329 7.643 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.874 -2.481 5.417 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.227 -3.626 5.577 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.434 -2.129 4.636 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.887 -0.350 6.532 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.462 0.097 5.833 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.226 0.141 7.596 1.00 0.00 H new ATOM 591 N ILE A 38 -6.841 -3.978 5.965 1.00 0.00 N ATOM 592 CA ILE A 38 -7.230 -5.383 5.920 1.00 0.00 C ATOM 593 C ILE A 38 -6.703 -6.048 4.646 1.00 0.00 C ATOM 594 O ILE A 38 -6.251 -5.381 3.715 1.00 0.00 O ATOM 595 CB ILE A 38 -8.754 -5.555 6.067 1.00 0.00 C ATOM 596 CG1 ILE A 38 -9.522 -4.775 4.988 1.00 0.00 C ATOM 597 CG2 ILE A 38 -9.221 -5.149 7.472 1.00 0.00 C ATOM 598 CD1 ILE A 38 -10.934 -5.336 4.797 1.00 0.00 C ATOM 0 H ILE A 38 -6.924 -3.500 5.068 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.774 -5.887 6.772 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.976 -6.613 5.926 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.581 -3.723 5.269 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -8.978 -4.823 4.045 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.300 -5.280 7.549 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.726 -5.774 8.215 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.969 -4.104 7.651 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.452 -4.763 4.028 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.872 -6.381 4.492 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.484 -5.264 5.735 1.00 0.00 H new ATOM 610 N ARG A 39 -6.760 -7.381 4.641 1.00 0.00 N ATOM 611 CA ARG A 39 -6.320 -8.241 3.553 1.00 0.00 C ATOM 612 C ARG A 39 -7.204 -8.084 2.302 1.00 0.00 C ATOM 613 O ARG A 39 -8.363 -7.686 2.427 1.00 0.00 O ATOM 614 CB ARG A 39 -6.307 -9.696 4.055 1.00 0.00 C ATOM 615 CG ARG A 39 -7.630 -10.147 4.702 1.00 0.00 C ATOM 616 CD ARG A 39 -7.446 -10.457 6.195 1.00 0.00 C ATOM 617 NE ARG A 39 -6.518 -11.580 6.401 1.00 0.00 N ATOM 618 CZ ARG A 39 -6.825 -12.878 6.258 1.00 0.00 C ATOM 619 NH1 ARG A 39 -8.066 -13.253 5.925 1.00 0.00 N ATOM 620 NH2 ARG A 39 -5.878 -13.802 6.447 1.00 0.00 N ATOM 0 H ARG A 39 -7.131 -7.908 5.431 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.315 -7.949 3.250 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.080 -10.356 3.218 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.502 -9.812 4.780 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.381 -9.366 4.581 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.005 -11.032 4.188 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.068 -9.572 6.708 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.412 -10.695 6.640 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.562 -11.353 6.675 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.789 -12.549 5.777 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.289 -14.243 5.819 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.931 -13.518 6.698 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.102 -14.791 6.340 1.00 0.00 H new ATOM 634 N PRO A 40 -6.707 -8.449 1.105 1.00 0.00 N ATOM 635 CA PRO A 40 -5.330 -8.830 0.823 1.00 0.00 C ATOM 636 C PRO A 40 -4.385 -7.638 0.976 1.00 0.00 C ATOM 637 O PRO A 40 -4.760 -6.488 0.751 1.00 0.00 O ATOM 638 CB PRO A 40 -5.331 -9.359 -0.615 1.00 0.00 C ATOM 639 CG PRO A 40 -6.496 -8.610 -1.258 1.00 0.00 C ATOM 640 CD PRO A 40 -7.501 -8.537 -0.110 1.00 0.00 C ATOM 0 HA PRO A 40 -4.974 -9.586 1.523 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.389 -9.151 -1.122 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.479 -10.438 -0.647 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.202 -7.620 -1.606 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.898 -9.144 -2.119 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.153 -7.670 -0.215 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.143 -9.418 -0.095 1.00 0.00 H new ATOM 648 N CYS A 41 -3.152 -7.931 1.390 1.00 0.00 N ATOM 649 CA CYS A 41 -2.065 -6.979 1.485 1.00 0.00 C ATOM 650 C CYS A 41 -0.892 -7.655 0.798 1.00 0.00 C ATOM 651 O CYS A 41 -0.229 -8.490 1.412 1.00 0.00 O ATOM 652 CB CYS A 41 -1.744 -6.665 2.948 1.00 0.00 C ATOM 653 SG CYS A 41 -3.161 -5.900 3.767 1.00 0.00 S ATOM 0 H CYS A 41 -2.882 -8.872 1.676 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.311 -6.025 1.019 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -1.469 -7.582 3.469 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -0.884 -5.998 3.001 1.00 0.00 H new ATOM 0 HG CYS A 41 -4.158 -5.830 2.935 1.00 0.00 H new ATOM 659 N MET A 42 -0.703 -7.374 -0.491 1.00 0.00 N ATOM 660 CA MET A 42 0.207 -8.110 -1.352 1.00 0.00 C ATOM 661 C MET A 42 1.422 -7.244 -1.682 1.00 0.00 C ATOM 662 O MET A 42 1.271 -6.096 -2.099 1.00 0.00 O ATOM 663 CB MET A 42 -0.553 -8.581 -2.604 1.00 0.00 C ATOM 664 CG MET A 42 -0.273 -10.061 -2.882 1.00 0.00 C ATOM 665 SD MET A 42 -1.039 -10.704 -4.389 1.00 0.00 S ATOM 666 CE MET A 42 -0.643 -12.456 -4.207 1.00 0.00 C ATOM 0 H MET A 42 -1.189 -6.615 -0.969 1.00 0.00 H new ATOM 0 HA MET A 42 0.584 -8.999 -0.846 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.623 -8.428 -2.465 1.00 0.00 H new ATOM 0 HB3 MET A 42 -0.254 -7.981 -3.464 1.00 0.00 H new ATOM 0 HG2 MET A 42 0.805 -10.207 -2.948 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.623 -10.649 -2.033 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.043 -13.010 -5.056 1.00 0.00 H new ATOM 0 HE2 MET A 42 0.439 -12.582 -4.169 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.086 -12.835 -3.286 1.00 0.00 H new ATOM 676 N LYS A 43 2.622 -7.788 -1.471 1.00 0.00 N ATOM 677 CA LYS A 43 3.888 -7.119 -1.721 1.00 0.00 C ATOM 678 C LYS A 43 4.511 -7.684 -2.995 1.00 0.00 C ATOM 679 O LYS A 43 4.473 -8.898 -3.198 1.00 0.00 O ATOM 680 CB LYS A 43 4.814 -7.339 -0.517 1.00 0.00 C ATOM 681 CG LYS A 43 6.166 -6.627 -0.678 1.00 0.00 C ATOM 682 CD LYS A 43 7.070 -6.824 0.546 1.00 0.00 C ATOM 683 CE LYS A 43 7.557 -8.273 0.684 1.00 0.00 C ATOM 684 NZ LYS A 43 8.497 -8.417 1.809 1.00 0.00 N ATOM 0 H LYS A 43 2.737 -8.735 -1.110 1.00 0.00 H new ATOM 0 HA LYS A 43 3.734 -6.048 -1.855 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.322 -6.978 0.386 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.983 -8.407 -0.383 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.671 -7.006 -1.566 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.998 -5.562 -0.837 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.931 -6.160 0.470 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.526 -6.539 1.446 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.703 -8.933 0.834 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.042 -8.585 -0.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.808 -9.407 1.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.323 -7.804 1.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.025 -8.141 2.694 1.00 0.00 H new ATOM 698 N LYS A 44 5.122 -6.812 -3.807 1.00 0.00 N ATOM 699 CA LYS A 44 5.957 -7.187 -4.941 1.00 0.00 C ATOM 700 C LYS A 44 7.242 -6.356 -4.909 1.00 0.00 C ATOM 701 O LYS A 44 7.260 -5.241 -4.392 1.00 0.00 O ATOM 702 CB LYS A 44 5.178 -7.032 -6.260 1.00 0.00 C ATOM 703 CG LYS A 44 6.085 -7.076 -7.500 1.00 0.00 C ATOM 704 CD LYS A 44 5.293 -7.151 -8.807 1.00 0.00 C ATOM 705 CE LYS A 44 6.237 -7.329 -10.004 1.00 0.00 C ATOM 706 NZ LYS A 44 7.225 -6.238 -10.106 1.00 0.00 N ATOM 0 H LYS A 44 5.043 -5.802 -3.685 1.00 0.00 H new ATOM 0 HA LYS A 44 6.236 -8.238 -4.874 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.434 -7.826 -6.332 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.635 -6.087 -6.247 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.718 -6.189 -7.514 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.747 -7.939 -7.431 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.590 -7.983 -8.765 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.704 -6.243 -8.934 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.759 -8.282 -9.913 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.651 -7.373 -10.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.738 -6.317 -11.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.735 -5.321 -10.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.899 -6.305 -9.317 1.00 0.00 H new ATOM 720 N THR A 45 8.320 -6.916 -5.461 1.00 0.00 N ATOM 721 CA THR A 45 9.615 -6.263 -5.588 1.00 0.00 C ATOM 722 C THR A 45 9.626 -5.366 -6.832 1.00 0.00 C ATOM 723 O THR A 45 9.139 -5.779 -7.884 1.00 0.00 O ATOM 724 CB THR A 45 10.694 -7.352 -5.657 1.00 0.00 C ATOM 725 OG1 THR A 45 10.585 -8.186 -4.520 1.00 0.00 O ATOM 726 CG2 THR A 45 12.100 -6.759 -5.664 1.00 0.00 C ATOM 0 H THR A 45 8.311 -7.862 -5.841 1.00 0.00 H new ATOM 0 HA THR A 45 9.815 -5.622 -4.729 1.00 0.00 H new ATOM 0 HB THR A 45 10.539 -7.909 -6.581 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.271 -8.885 -4.560 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.834 -7.563 -5.714 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.216 -6.108 -6.531 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.256 -6.181 -4.753 1.00 0.00 H new ATOM 734 N ILE A 46 10.179 -4.153 -6.713 1.00 0.00 N ATOM 735 CA ILE A 46 10.278 -3.163 -7.782 1.00 0.00 C ATOM 736 C ILE A 46 11.757 -2.936 -8.108 1.00 0.00 C ATOM 737 O ILE A 46 12.594 -2.778 -7.216 1.00 0.00 O ATOM 738 CB ILE A 46 9.485 -1.891 -7.412 1.00 0.00 C ATOM 739 CG1 ILE A 46 8.311 -1.656 -8.380 1.00 0.00 C ATOM 740 CG2 ILE A 46 10.333 -0.612 -7.355 1.00 0.00 C ATOM 741 CD1 ILE A 46 7.245 -2.753 -8.296 1.00 0.00 C ATOM 0 H ILE A 46 10.583 -3.826 -5.836 1.00 0.00 H new ATOM 0 HA ILE A 46 9.813 -3.519 -8.701 1.00 0.00 H new ATOM 0 HB ILE A 46 9.117 -2.087 -6.405 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.852 -0.692 -8.160 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.692 -1.603 -9.400 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.699 0.233 -7.089 1.00 0.00 H new ATOM 0 HG22 ILE A 46 11.117 -0.728 -6.606 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.786 -0.432 -8.330 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.442 -2.535 -9.000 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.693 -3.715 -8.543 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.840 -2.790 -7.285 1.00 0.00 H new ATOM 753 N TYR A 47 12.092 -2.968 -9.398 1.00 0.00 N ATOM 754 CA TYR A 47 13.462 -3.026 -9.863 1.00 0.00 C ATOM 755 C TYR A 47 13.517 -2.708 -11.350 1.00 0.00 C ATOM 756 O TYR A 47 12.478 -2.517 -11.980 1.00 0.00 O ATOM 757 CB TYR A 47 14.031 -4.415 -9.562 1.00 0.00 C ATOM 758 CG TYR A 47 13.406 -5.589 -10.290 1.00 0.00 C ATOM 759 CD1 TYR A 47 12.268 -6.213 -9.746 1.00 0.00 C ATOM 760 CD2 TYR A 47 14.091 -6.200 -11.355 1.00 0.00 C ATOM 761 CE1 TYR A 47 11.836 -7.453 -10.242 1.00 0.00 C ATOM 762 CE2 TYR A 47 13.654 -7.437 -11.858 1.00 0.00 C ATOM 763 CZ TYR A 47 12.541 -8.077 -11.285 1.00 0.00 C ATOM 764 OH TYR A 47 12.184 -9.320 -11.714 1.00 0.00 O ATOM 0 H TYR A 47 11.405 -2.954 -10.152 1.00 0.00 H new ATOM 0 HA TYR A 47 14.069 -2.284 -9.345 1.00 0.00 H new ATOM 0 HB2 TYR A 47 15.096 -4.402 -9.793 1.00 0.00 H new ATOM 0 HB3 TYR A 47 13.939 -4.593 -8.491 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.725 -5.736 -8.944 1.00 0.00 H new ATOM 0 HD2 TYR A 47 14.955 -5.717 -11.787 1.00 0.00 H new ATOM 0 HE1 TYR A 47 10.962 -7.928 -9.822 1.00 0.00 H new ATOM 0 HE2 TYR A 47 14.174 -7.897 -12.686 1.00 0.00 H new ATOM 0 HH TYR A 47 12.778 -9.598 -12.442 1.00 0.00 H new ATOM 884 N ILE A 55 17.791 -4.455 -7.236 1.00 0.00 N ATOM 885 CA ILE A 55 16.470 -4.221 -6.672 1.00 0.00 C ATOM 886 C ILE A 55 16.410 -2.834 -6.023 1.00 0.00 C ATOM 887 O ILE A 55 17.012 -2.608 -4.977 1.00 0.00 O ATOM 888 CB ILE A 55 16.108 -5.355 -5.693 1.00 0.00 C ATOM 889 CG1 ILE A 55 15.913 -6.667 -6.480 1.00 0.00 C ATOM 890 CG2 ILE A 55 14.836 -5.004 -4.904 1.00 0.00 C ATOM 891 CD1 ILE A 55 15.938 -7.907 -5.580 1.00 0.00 C ATOM 0 HA ILE A 55 15.722 -4.231 -7.465 1.00 0.00 H new ATOM 0 HB ILE A 55 16.921 -5.483 -4.978 1.00 0.00 H new ATOM 0 HG12 ILE A 55 14.962 -6.629 -7.012 1.00 0.00 H new ATOM 0 HG13 ILE A 55 16.696 -6.754 -7.233 1.00 0.00 H new ATOM 0 HG21 ILE A 55 14.597 -5.817 -4.218 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.001 -4.088 -4.337 1.00 0.00 H new ATOM 0 HG23 ILE A 55 14.007 -4.858 -5.596 1.00 0.00 H new ATOM 0 HD11 ILE A 55 15.796 -8.801 -6.188 1.00 0.00 H new ATOM 0 HD12 ILE A 55 16.898 -7.965 -5.068 1.00 0.00 H new ATOM 0 HD13 ILE A 55 15.137 -7.838 -4.843 1.00 0.00 H new ATOM 903 N LYS A 56 15.658 -1.916 -6.634 1.00 0.00 N ATOM 904 CA LYS A 56 15.587 -0.532 -6.198 1.00 0.00 C ATOM 905 C LYS A 56 14.611 -0.380 -5.031 1.00 0.00 C ATOM 906 O LYS A 56 14.791 0.491 -4.178 1.00 0.00 O ATOM 907 CB LYS A 56 15.160 0.348 -7.383 1.00 0.00 C ATOM 908 CG LYS A 56 15.368 1.837 -7.068 1.00 0.00 C ATOM 909 CD LYS A 56 14.919 2.757 -8.211 1.00 0.00 C ATOM 910 CE LYS A 56 13.391 2.816 -8.327 1.00 0.00 C ATOM 911 NZ LYS A 56 12.971 3.814 -9.326 1.00 0.00 N ATOM 0 H LYS A 56 15.080 -2.120 -7.449 1.00 0.00 H new ATOM 0 HA LYS A 56 16.570 -0.214 -5.849 1.00 0.00 H new ATOM 0 HB2 LYS A 56 15.736 0.076 -8.268 1.00 0.00 H new ATOM 0 HB3 LYS A 56 14.111 0.165 -7.616 1.00 0.00 H new ATOM 0 HG2 LYS A 56 14.815 2.093 -6.164 1.00 0.00 H new ATOM 0 HG3 LYS A 56 16.423 2.015 -6.858 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.310 3.761 -8.045 1.00 0.00 H new ATOM 0 HD3 LYS A 56 15.342 2.402 -9.151 1.00 0.00 H new ATOM 0 HE2 LYS A 56 13.007 1.835 -8.605 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.959 3.064 -7.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.933 3.832 -9.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.319 4.753 -9.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.365 3.562 -10.255 1.00 0.00 H new ATOM 925 N GLY A 57 13.539 -1.176 -5.002 1.00 0.00 N ATOM 926 CA GLY A 57 12.486 -0.944 -4.037 1.00 0.00 C ATOM 927 C GLY A 57 11.440 -2.047 -4.055 1.00 0.00 C ATOM 928 O GLY A 57 11.682 -3.147 -4.551 1.00 0.00 O ATOM 0 H GLY A 57 13.387 -1.969 -5.626 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.919 -0.872 -3.039 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.007 0.012 -4.247 1.00 0.00 H new ATOM 932 N TYR A 58 10.268 -1.748 -3.496 1.00 0.00 N ATOM 933 CA TYR A 58 9.152 -2.667 -3.406 1.00 0.00 C ATOM 934 C TYR A 58 7.866 -1.854 -3.492 1.00 0.00 C ATOM 935 O TYR A 58 7.879 -0.652 -3.215 1.00 0.00 O ATOM 936 CB TYR A 58 9.202 -3.446 -2.084 1.00 0.00 C ATOM 937 CG TYR A 58 10.571 -3.968 -1.678 1.00 0.00 C ATOM 938 CD1 TYR A 58 11.485 -3.104 -1.048 1.00 0.00 C ATOM 939 CD2 TYR A 58 10.984 -5.265 -2.042 1.00 0.00 C ATOM 940 CE1 TYR A 58 12.808 -3.510 -0.823 1.00 0.00 C ATOM 941 CE2 TYR A 58 12.316 -5.666 -1.834 1.00 0.00 C ATOM 942 CZ TYR A 58 13.234 -4.778 -1.244 1.00 0.00 C ATOM 943 OH TYR A 58 14.535 -5.142 -1.069 1.00 0.00 O ATOM 0 H TYR A 58 10.071 -0.835 -3.085 1.00 0.00 H new ATOM 0 HA TYR A 58 9.197 -3.391 -4.220 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.829 -2.800 -1.289 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.518 -4.291 -2.156 1.00 0.00 H new ATOM 0 HD1 TYR A 58 11.165 -2.121 -0.735 1.00 0.00 H new ATOM 0 HD2 TYR A 58 10.276 -5.952 -2.482 1.00 0.00 H new ATOM 0 HE1 TYR A 58 13.499 -2.846 -0.325 1.00 0.00 H new ATOM 0 HE2 TYR A 58 12.634 -6.656 -2.127 1.00 0.00 H new ATOM 0 HH TYR A 58 14.670 -6.050 -1.412 1.00 0.00 H new ATOM 953 N GLU A 59 6.768 -2.521 -3.846 1.00 0.00 N ATOM 954 CA GLU A 59 5.421 -1.992 -3.790 1.00 0.00 C ATOM 955 C GLU A 59 4.584 -2.896 -2.890 1.00 0.00 C ATOM 956 O GLU A 59 4.848 -4.098 -2.805 1.00 0.00 O ATOM 957 CB GLU A 59 4.833 -1.836 -5.194 1.00 0.00 C ATOM 958 CG GLU A 59 4.340 -3.156 -5.799 1.00 0.00 C ATOM 959 CD GLU A 59 3.895 -3.017 -7.254 1.00 0.00 C ATOM 960 OE1 GLU A 59 3.810 -1.865 -7.732 1.00 0.00 O ATOM 961 OE2 GLU A 59 3.648 -4.077 -7.869 1.00 0.00 O ATOM 0 H GLU A 59 6.802 -3.480 -4.192 1.00 0.00 H new ATOM 0 HA GLU A 59 5.424 -0.990 -3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.003 -1.130 -5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.589 -1.404 -5.850 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.137 -3.897 -5.738 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.508 -3.533 -5.205 1.00 0.00 H new ATOM 968 N TYR A 60 3.596 -2.305 -2.218 1.00 0.00 N ATOM 969 CA TYR A 60 2.690 -2.965 -1.301 1.00 0.00 C ATOM 970 C TYR A 60 1.284 -2.505 -1.674 1.00 0.00 C ATOM 971 O TYR A 60 0.931 -1.350 -1.437 1.00 0.00 O ATOM 972 CB TYR A 60 3.014 -2.574 0.144 1.00 0.00 C ATOM 973 CG TYR A 60 4.438 -2.817 0.620 1.00 0.00 C ATOM 974 CD1 TYR A 60 5.480 -1.964 0.205 1.00 0.00 C ATOM 975 CD2 TYR A 60 4.690 -3.782 1.613 1.00 0.00 C ATOM 976 CE1 TYR A 60 6.777 -2.131 0.718 1.00 0.00 C ATOM 977 CE2 TYR A 60 5.969 -3.889 2.186 1.00 0.00 C ATOM 978 CZ TYR A 60 7.018 -3.078 1.727 1.00 0.00 C ATOM 979 OH TYR A 60 8.247 -3.172 2.309 1.00 0.00 O ATOM 0 H TYR A 60 3.404 -1.307 -2.308 1.00 0.00 H new ATOM 0 HA TYR A 60 2.780 -4.049 -1.371 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.792 -1.514 0.267 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.338 -3.120 0.803 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.281 -1.179 -0.510 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.898 -4.442 1.936 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.590 -1.531 0.336 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.145 -4.598 2.982 1.00 0.00 H new ATOM 0 HH TYR A 60 8.870 -2.566 1.857 1.00 0.00 H new ATOM 989 N GLN A 61 0.496 -3.393 -2.273 1.00 0.00 N ATOM 990 CA GLN A 61 -0.884 -3.126 -2.643 1.00 0.00 C ATOM 991 C GLN A 61 -1.780 -3.689 -1.545 1.00 0.00 C ATOM 992 O GLN A 61 -1.739 -4.890 -1.280 1.00 0.00 O ATOM 993 CB GLN A 61 -1.187 -3.712 -4.026 1.00 0.00 C ATOM 994 CG GLN A 61 -2.584 -3.290 -4.495 1.00 0.00 C ATOM 995 CD GLN A 61 -2.817 -3.658 -5.955 1.00 0.00 C ATOM 996 OE1 GLN A 61 -2.850 -4.831 -6.308 1.00 0.00 O ATOM 997 NE2 GLN A 61 -2.973 -2.661 -6.825 1.00 0.00 N ATOM 0 H GLN A 61 0.807 -4.333 -2.518 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.072 -2.055 -2.725 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.439 -3.373 -4.743 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.123 -4.799 -3.988 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.339 -3.771 -3.873 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.703 -2.214 -4.366 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.941 -1.694 -6.503 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -3.124 -2.865 -7.813 1.00 0.00 H new ATOM 1006 N LEU A 62 -2.552 -2.828 -0.878 1.00 0.00 N ATOM 1007 CA LEU A 62 -3.302 -3.200 0.312 1.00 0.00 C ATOM 1008 C LEU A 62 -4.620 -2.439 0.391 1.00 0.00 C ATOM 1009 O LEU A 62 -4.779 -1.400 -0.249 1.00 0.00 O ATOM 1010 CB LEU A 62 -2.423 -3.039 1.566 1.00 0.00 C ATOM 1011 CG LEU A 62 -1.666 -1.703 1.715 1.00 0.00 C ATOM 1012 CD1 LEU A 62 -2.561 -0.562 2.215 1.00 0.00 C ATOM 1013 CD2 LEU A 62 -0.527 -1.896 2.722 1.00 0.00 C ATOM 0 H LEU A 62 -2.671 -1.853 -1.153 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.574 -4.254 0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.055 -3.171 2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.692 -3.847 1.575 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.297 -1.427 0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.973 0.352 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.377 -0.404 1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.970 -0.822 3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.018 -0.959 2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.940 -2.198 3.685 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.152 -2.668 2.360 1.00 0.00 H new ATOM 1025 N TYR A 63 -5.573 -2.982 1.155 1.00 0.00 N ATOM 1026 CA TYR A 63 -6.881 -2.384 1.351 1.00 0.00 C ATOM 1027 C TYR A 63 -6.890 -1.590 2.653 1.00 0.00 C ATOM 1028 O TYR A 63 -6.815 -2.178 3.732 1.00 0.00 O ATOM 1029 CB TYR A 63 -7.956 -3.480 1.374 1.00 0.00 C ATOM 1030 CG TYR A 63 -8.761 -3.629 0.102 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -9.329 -2.493 -0.498 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -9.190 -4.903 -0.300 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -10.294 -2.626 -1.500 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -10.094 -5.043 -1.367 1.00 0.00 C ATOM 1035 CZ TYR A 63 -10.672 -3.902 -1.945 1.00 0.00 C ATOM 1036 OH TYR A 63 -11.681 -4.041 -2.843 1.00 0.00 O ATOM 0 H TYR A 63 -5.448 -3.861 1.658 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.100 -1.705 0.527 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.474 -4.433 1.592 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.642 -3.275 2.196 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.017 -1.508 -0.182 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -8.824 -5.780 0.213 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.749 -1.747 -1.932 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -10.343 -6.025 -1.741 1.00 0.00 H new ATOM 0 HH TYR A 63 -11.812 -4.991 -3.044 1.00 0.00 H new ATOM 1046 N VAL A 64 -7.001 -0.263 2.548 1.00 0.00 N ATOM 1047 CA VAL A 64 -7.094 0.629 3.690 1.00 0.00 C ATOM 1048 C VAL A 64 -8.557 1.019 3.920 1.00 0.00 C ATOM 1049 O VAL A 64 -9.278 1.362 2.980 1.00 0.00 O ATOM 1050 CB VAL A 64 -6.132 1.818 3.524 1.00 0.00 C ATOM 1051 CG1 VAL A 64 -6.420 2.708 2.310 1.00 0.00 C ATOM 1052 CG2 VAL A 64 -6.114 2.675 4.791 1.00 0.00 C ATOM 0 H VAL A 64 -7.029 0.222 1.651 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.769 0.124 4.600 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.154 1.369 3.348 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -5.693 3.519 2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.348 2.115 1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.424 3.124 2.394 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.428 3.511 4.655 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.116 3.056 4.987 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.785 2.069 5.635 1.00 0.00 H new ATOM 1062 N TYR A 65 -8.992 0.936 5.179 1.00 0.00 N ATOM 1063 CA TYR A 65 -10.300 1.350 5.645 1.00 0.00 C ATOM 1064 C TYR A 65 -10.179 2.795 6.133 1.00 0.00 C ATOM 1065 O TYR A 65 -9.374 3.080 7.027 1.00 0.00 O ATOM 1066 CB TYR A 65 -10.762 0.416 6.780 1.00 0.00 C ATOM 1067 CG TYR A 65 -11.907 -0.519 6.448 1.00 0.00 C ATOM 1068 CD1 TYR A 65 -13.114 0.003 5.943 1.00 0.00 C ATOM 1069 CD2 TYR A 65 -11.835 -1.876 6.816 1.00 0.00 C ATOM 1070 CE1 TYR A 65 -14.214 -0.842 5.725 1.00 0.00 C ATOM 1071 CE2 TYR A 65 -12.952 -2.711 6.639 1.00 0.00 C ATOM 1072 CZ TYR A 65 -14.133 -2.199 6.077 1.00 0.00 C ATOM 1073 OH TYR A 65 -15.200 -3.024 5.884 1.00 0.00 O ATOM 0 H TYR A 65 -8.410 0.561 5.928 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.041 1.293 4.848 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.910 -0.184 7.099 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.056 1.030 7.631 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -13.194 1.057 5.723 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.923 -2.275 7.234 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.120 -0.449 5.288 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.902 -3.748 6.936 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.971 -3.929 6.181 1.00 0.00 H new ATOM 1083 N ALA A 66 -10.976 3.697 5.552 1.00 0.00 N ATOM 1084 CA ALA A 66 -10.972 5.112 5.883 1.00 0.00 C ATOM 1085 C ALA A 66 -12.416 5.609 6.010 1.00 0.00 C ATOM 1086 O ALA A 66 -13.248 5.365 5.136 1.00 0.00 O ATOM 1087 CB ALA A 66 -10.188 5.885 4.821 1.00 0.00 C ATOM 0 H ALA A 66 -11.651 3.453 4.827 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.478 5.276 6.841 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.186 6.946 5.071 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.162 5.518 4.787 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.657 5.742 3.847 1.00 0.00 H new ATOM 1093 N SER A 67 -12.723 6.247 7.142 1.00 0.00 N ATOM 1094 CA SER A 67 -14.025 6.648 7.658 1.00 0.00 C ATOM 1095 C SER A 67 -14.781 5.393 8.089 1.00 0.00 C ATOM 1096 O SER A 67 -15.046 5.172 9.268 1.00 0.00 O ATOM 1097 CB SER A 67 -14.795 7.524 6.660 1.00 0.00 C ATOM 1098 OG SER A 67 -15.860 8.159 7.329 1.00 0.00 O ATOM 0 H SER A 67 -11.981 6.523 7.786 1.00 0.00 H new ATOM 0 HA SER A 67 -13.900 7.286 8.533 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.130 8.268 6.221 1.00 0.00 H new ATOM 0 HB3 SER A 67 -15.176 6.914 5.841 1.00 0.00 H new ATOM 0 HG SER A 67 -16.355 8.721 6.697 1.00 0.00 H new ATOM 1104 N ASP A 68 -15.056 4.571 7.083 1.00 0.00 N ATOM 1105 CA ASP A 68 -15.827 3.336 7.080 1.00 0.00 C ATOM 1106 C ASP A 68 -15.886 2.720 5.671 1.00 0.00 C ATOM 1107 O ASP A 68 -16.681 1.813 5.440 1.00 0.00 O ATOM 1108 CB ASP A 68 -17.255 3.599 7.586 1.00 0.00 C ATOM 1109 CG ASP A 68 -18.116 4.390 6.598 1.00 0.00 C ATOM 1110 OD1 ASP A 68 -17.581 5.344 5.989 1.00 0.00 O ATOM 1111 OD2 ASP A 68 -19.303 4.025 6.466 1.00 0.00 O ATOM 0 H ASP A 68 -14.705 4.778 6.148 1.00 0.00 H new ATOM 0 HA ASP A 68 -15.329 2.631 7.746 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -17.739 2.645 7.795 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -17.204 4.144 8.529 1.00 0.00 H new ATOM 1116 N LYS A 69 -15.084 3.216 4.719 1.00 0.00 N ATOM 1117 CA LYS A 69 -15.106 2.817 3.321 1.00 0.00 C ATOM 1118 C LYS A 69 -13.736 2.247 2.977 1.00 0.00 C ATOM 1119 O LYS A 69 -12.737 2.642 3.579 1.00 0.00 O ATOM 1120 CB LYS A 69 -15.421 4.039 2.451 1.00 0.00 C ATOM 1121 CG LYS A 69 -16.914 4.382 2.475 1.00 0.00 C ATOM 1122 CD LYS A 69 -17.156 5.668 1.675 1.00 0.00 C ATOM 1123 CE LYS A 69 -18.656 5.928 1.515 1.00 0.00 C ATOM 1124 NZ LYS A 69 -18.907 7.182 0.785 1.00 0.00 N ATOM 0 H LYS A 69 -14.382 3.929 4.916 1.00 0.00 H new ATOM 0 HA LYS A 69 -15.872 2.063 3.139 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.845 4.895 2.804 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -15.109 3.845 1.425 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -17.493 3.562 2.050 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -17.252 4.512 3.503 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -16.687 6.512 2.182 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -16.689 5.586 0.694 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -19.117 5.096 0.982 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -19.126 5.976 2.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -19.932 7.331 0.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -18.488 7.978 1.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -18.479 7.125 -0.161 1.00 0.00 H new ATOM 1138 N LEU A 70 -13.701 1.294 2.041 1.00 0.00 N ATOM 1139 CA LEU A 70 -12.521 0.502 1.750 1.00 0.00 C ATOM 1140 C LEU A 70 -11.915 0.947 0.417 1.00 0.00 C ATOM 1141 O LEU A 70 -12.590 0.909 -0.614 1.00 0.00 O ATOM 1142 CB LEU A 70 -12.925 -0.979 1.742 1.00 0.00 C ATOM 1143 CG LEU A 70 -11.710 -1.893 1.925 1.00 0.00 C ATOM 1144 CD1 LEU A 70 -11.238 -1.921 3.381 1.00 0.00 C ATOM 1145 CD2 LEU A 70 -12.075 -3.316 1.494 1.00 0.00 C ATOM 0 H LEU A 70 -14.506 1.054 1.462 1.00 0.00 H new ATOM 0 HA LEU A 70 -11.754 0.646 2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.645 -1.165 2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.422 -1.217 0.801 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.901 -1.500 1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.375 -2.580 3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.960 -0.914 3.693 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.043 -2.289 4.017 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.211 -3.968 1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.900 -3.681 2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.374 -3.313 0.446 1.00 0.00 H new ATOM 1157 N PHE A 71 -10.654 1.384 0.451 1.00 0.00 N ATOM 1158 CA PHE A 71 -9.926 1.906 -0.696 1.00 0.00 C ATOM 1159 C PHE A 71 -8.667 1.069 -0.887 1.00 0.00 C ATOM 1160 O PHE A 71 -8.013 0.715 0.093 1.00 0.00 O ATOM 1161 CB PHE A 71 -9.553 3.370 -0.454 1.00 0.00 C ATOM 1162 CG PHE A 71 -10.725 4.290 -0.167 1.00 0.00 C ATOM 1163 CD1 PHE A 71 -11.228 4.396 1.144 1.00 0.00 C ATOM 1164 CD2 PHE A 71 -11.237 5.125 -1.179 1.00 0.00 C ATOM 1165 CE1 PHE A 71 -12.238 5.328 1.440 1.00 0.00 C ATOM 1166 CE2 PHE A 71 -12.216 6.085 -0.872 1.00 0.00 C ATOM 1167 CZ PHE A 71 -12.730 6.176 0.433 1.00 0.00 C ATOM 0 H PHE A 71 -10.099 1.382 1.307 1.00 0.00 H new ATOM 0 HA PHE A 71 -10.547 1.853 -1.590 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -8.858 3.419 0.384 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -9.023 3.744 -1.330 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -10.837 3.760 1.924 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -10.877 5.027 -2.192 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -12.636 5.392 2.442 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -12.574 6.754 -1.640 1.00 0.00 H new ATOM 0 HZ PHE A 71 -13.502 6.896 0.662 1.00 0.00 H new ATOM 1177 N ARG A 72 -8.338 0.733 -2.134 1.00 0.00 N ATOM 1178 CA ARG A 72 -7.179 -0.078 -2.460 1.00 0.00 C ATOM 1179 C ARG A 72 -6.023 0.864 -2.791 1.00 0.00 C ATOM 1180 O ARG A 72 -6.107 1.632 -3.753 1.00 0.00 O ATOM 1181 CB ARG A 72 -7.519 -1.037 -3.609 1.00 0.00 C ATOM 1182 CG ARG A 72 -6.581 -2.250 -3.578 1.00 0.00 C ATOM 1183 CD ARG A 72 -6.953 -3.250 -4.675 1.00 0.00 C ATOM 1184 NE ARG A 72 -6.168 -4.483 -4.541 1.00 0.00 N ATOM 1185 CZ ARG A 72 -6.262 -5.541 -5.358 1.00 0.00 C ATOM 1186 NH1 ARG A 72 -7.102 -5.518 -6.398 1.00 0.00 N ATOM 1187 NH2 ARG A 72 -5.511 -6.621 -5.124 1.00 0.00 N ATOM 0 H ARG A 72 -8.878 1.022 -2.950 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.880 -0.703 -1.619 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.555 -1.366 -3.524 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.426 -0.520 -4.564 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.550 -1.922 -3.712 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.637 -2.734 -2.603 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.016 -3.482 -4.617 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.777 -2.805 -5.654 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.503 -4.539 -3.770 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.675 -4.692 -6.573 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.170 -6.326 -7.017 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.873 -6.636 -4.329 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.576 -7.431 -5.741 1.00 0.00 H new ATOM 1201 N ALA A 73 -4.967 0.831 -1.977 1.00 0.00 N ATOM 1202 CA ALA A 73 -3.826 1.723 -2.084 1.00 0.00 C ATOM 1203 C ALA A 73 -2.586 0.922 -2.457 1.00 0.00 C ATOM 1204 O ALA A 73 -2.348 -0.144 -1.887 1.00 0.00 O ATOM 1205 CB ALA A 73 -3.631 2.462 -0.759 1.00 0.00 C ATOM 0 H ALA A 73 -4.886 0.165 -1.209 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.002 2.462 -2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.775 3.132 -0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.525 3.042 -0.531 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.454 1.740 0.038 1.00 0.00 H new ATOM 1211 N ASP A 74 -1.806 1.443 -3.408 1.00 0.00 N ATOM 1212 CA ASP A 74 -0.487 0.947 -3.753 1.00 0.00 C ATOM 1213 C ASP A 74 0.548 1.879 -3.137 1.00 0.00 C ATOM 1214 O ASP A 74 0.769 2.997 -3.614 1.00 0.00 O ATOM 1215 CB ASP A 74 -0.323 0.820 -5.266 1.00 0.00 C ATOM 1216 CG ASP A 74 1.062 0.286 -5.621 1.00 0.00 C ATOM 1217 OD1 ASP A 74 1.379 -0.826 -5.147 1.00 0.00 O ATOM 1218 OD2 ASP A 74 1.772 0.997 -6.363 1.00 0.00 O ATOM 0 H ASP A 74 -2.091 2.245 -3.971 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.346 -0.056 -3.351 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.087 0.153 -5.664 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.473 1.792 -5.735 1.00 0.00 H new ATOM 1223 N ILE A 75 1.139 1.399 -2.049 1.00 0.00 N ATOM 1224 CA ILE A 75 2.212 2.042 -1.309 1.00 0.00 C ATOM 1225 C ILE A 75 3.525 1.532 -1.898 1.00 0.00 C ATOM 1226 O ILE A 75 3.533 0.491 -2.557 1.00 0.00 O ATOM 1227 CB ILE A 75 2.096 1.679 0.186 1.00 0.00 C ATOM 1228 CG1 ILE A 75 0.652 1.701 0.722 1.00 0.00 C ATOM 1229 CG2 ILE A 75 2.989 2.564 1.065 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -0.062 3.036 0.506 1.00 0.00 C ATOM 0 H ILE A 75 0.867 0.505 -1.640 1.00 0.00 H new ATOM 0 HA ILE A 75 2.162 3.128 -1.389 1.00 0.00 H new ATOM 0 HB ILE A 75 2.445 0.648 0.246 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.081 0.910 0.235 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.666 1.474 1.788 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.875 2.273 2.109 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.030 2.442 0.766 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.698 3.607 0.946 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.073 2.977 0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.486 3.828 1.016 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.108 3.256 -0.561 1.00 0.00 H new ATOM 1242 N SER A 76 4.640 2.226 -1.670 1.00 0.00 N ATOM 1243 CA SER A 76 5.927 1.762 -2.146 1.00 0.00 C ATOM 1244 C SER A 76 7.038 2.123 -1.180 1.00 0.00 C ATOM 1245 O SER A 76 6.812 2.904 -0.257 1.00 0.00 O ATOM 1246 CB SER A 76 6.163 2.324 -3.541 1.00 0.00 C ATOM 1247 OG SER A 76 6.060 3.729 -3.529 1.00 0.00 O ATOM 0 H SER A 76 4.670 3.108 -1.159 1.00 0.00 H new ATOM 0 HA SER A 76 5.928 0.674 -2.204 1.00 0.00 H new ATOM 0 HB2 SER A 76 7.150 2.029 -3.897 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.435 1.906 -4.236 1.00 0.00 H new ATOM 0 HG SER A 76 6.370 4.087 -4.387 1.00 0.00 H new ATOM 1253 N GLU A 77 8.209 1.517 -1.403 1.00 0.00 N ATOM 1254 CA GLU A 77 9.432 1.694 -0.643 1.00 0.00 C ATOM 1255 C GLU A 77 10.593 1.808 -1.625 1.00 0.00 C ATOM 1256 O GLU A 77 10.724 0.946 -2.494 1.00 0.00 O ATOM 1257 CB GLU A 77 9.632 0.463 0.246 1.00 0.00 C ATOM 1258 CG GLU A 77 10.889 0.543 1.127 1.00 0.00 C ATOM 1259 CD GLU A 77 11.246 -0.811 1.732 1.00 0.00 C ATOM 1260 OE1 GLU A 77 10.383 -1.715 1.679 1.00 0.00 O ATOM 1261 OE2 GLU A 77 12.394 -0.927 2.209 1.00 0.00 O ATOM 0 H GLU A 77 8.326 0.851 -2.167 1.00 0.00 H new ATOM 0 HA GLU A 77 9.380 2.590 -0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.757 0.339 0.885 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.695 -0.424 -0.384 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.727 0.907 0.532 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.727 1.266 1.926 1.00 0.00 H new ATOM 1268 N ASP A 78 11.448 2.822 -1.449 1.00 0.00 N ATOM 1269 CA ASP A 78 12.719 2.968 -2.138 1.00 0.00 C ATOM 1270 C ASP A 78 13.809 2.459 -1.195 1.00 0.00 C ATOM 1271 O ASP A 78 14.126 3.116 -0.198 1.00 0.00 O ATOM 1272 CB ASP A 78 12.945 4.441 -2.496 1.00 0.00 C ATOM 1273 CG ASP A 78 12.107 4.862 -3.699 1.00 0.00 C ATOM 1274 OD1 ASP A 78 12.522 4.511 -4.825 1.00 0.00 O ATOM 1275 OD2 ASP A 78 11.072 5.527 -3.475 1.00 0.00 O ATOM 0 H ASP A 78 11.260 3.585 -0.799 1.00 0.00 H new ATOM 0 HA ASP A 78 12.734 2.397 -3.066 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.693 5.067 -1.640 1.00 0.00 H new ATOM 0 HB3 ASP A 78 14.001 4.606 -2.712 1.00 0.00 H new ATOM 1280 N TYR A 79 14.376 1.290 -1.511 1.00 0.00 N ATOM 1281 CA TYR A 79 15.331 0.581 -0.666 1.00 0.00 C ATOM 1282 C TYR A 79 16.493 1.487 -0.266 1.00 0.00 C ATOM 1283 O TYR A 79 16.939 1.450 0.877 1.00 0.00 O ATOM 1284 CB TYR A 79 15.842 -0.666 -1.400 1.00 0.00 C ATOM 1285 CG TYR A 79 16.839 -1.493 -0.611 1.00 0.00 C ATOM 1286 CD1 TYR A 79 16.427 -2.184 0.544 1.00 0.00 C ATOM 1287 CD2 TYR A 79 18.185 -1.558 -1.019 1.00 0.00 C ATOM 1288 CE1 TYR A 79 17.350 -2.953 1.273 1.00 0.00 C ATOM 1289 CE2 TYR A 79 19.109 -2.320 -0.283 1.00 0.00 C ATOM 1290 CZ TYR A 79 18.689 -3.022 0.858 1.00 0.00 C ATOM 1291 OH TYR A 79 19.578 -3.773 1.568 1.00 0.00 O ATOM 0 H TYR A 79 14.176 0.802 -2.384 1.00 0.00 H new ATOM 0 HA TYR A 79 14.825 0.274 0.249 1.00 0.00 H new ATOM 0 HB2 TYR A 79 14.990 -1.295 -1.658 1.00 0.00 H new ATOM 0 HB3 TYR A 79 16.306 -0.357 -2.337 1.00 0.00 H new ATOM 0 HD1 TYR A 79 15.399 -2.123 0.871 1.00 0.00 H new ATOM 0 HD2 TYR A 79 18.508 -1.022 -1.899 1.00 0.00 H new ATOM 0 HE1 TYR A 79 17.029 -3.491 2.153 1.00 0.00 H new ATOM 0 HE2 TYR A 79 20.142 -2.365 -0.595 1.00 0.00 H new ATOM 0 HH TYR A 79 20.462 -3.716 1.149 1.00 0.00 H new ATOM 1301 N LYS A 80 16.927 2.343 -1.196 1.00 0.00 N ATOM 1302 CA LYS A 80 17.999 3.310 -1.044 1.00 0.00 C ATOM 1303 C LYS A 80 17.940 4.041 0.296 1.00 0.00 C ATOM 1304 O LYS A 80 18.978 4.287 0.905 1.00 0.00 O ATOM 1305 CB LYS A 80 17.888 4.309 -2.201 1.00 0.00 C ATOM 1306 CG LYS A 80 18.320 3.697 -3.539 1.00 0.00 C ATOM 1307 CD LYS A 80 17.978 4.663 -4.683 1.00 0.00 C ATOM 1308 CE LYS A 80 18.590 4.209 -6.012 1.00 0.00 C ATOM 1309 NZ LYS A 80 20.051 4.404 -6.039 1.00 0.00 N ATOM 0 H LYS A 80 16.510 2.375 -2.126 1.00 0.00 H new ATOM 0 HA LYS A 80 18.955 2.787 -1.064 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.859 4.659 -2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 80 18.506 5.181 -1.986 1.00 0.00 H new ATOM 0 HG2 LYS A 80 19.391 3.495 -3.529 1.00 0.00 H new ATOM 0 HG3 LYS A 80 17.817 2.743 -3.693 1.00 0.00 H new ATOM 0 HD2 LYS A 80 16.895 4.735 -4.787 1.00 0.00 H new ATOM 0 HD3 LYS A 80 18.341 5.661 -4.437 1.00 0.00 H new ATOM 0 HE2 LYS A 80 18.361 3.156 -6.176 1.00 0.00 H new ATOM 0 HE3 LYS A 80 18.134 4.766 -6.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 20.407 4.230 -7.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 20.276 5.379 -5.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 20.502 3.740 -5.378 1.00 0.00 H new ATOM 1323 N THR A 81 16.731 4.402 0.732 1.00 0.00 N ATOM 1324 CA THR A 81 16.520 5.086 2.010 1.00 0.00 C ATOM 1325 C THR A 81 15.581 4.278 2.918 1.00 0.00 C ATOM 1326 O THR A 81 15.247 4.727 4.010 1.00 0.00 O ATOM 1327 CB THR A 81 15.974 6.503 1.733 1.00 0.00 C ATOM 1328 OG1 THR A 81 16.636 7.077 0.622 1.00 0.00 O ATOM 1329 CG2 THR A 81 16.171 7.468 2.907 1.00 0.00 C ATOM 0 H THR A 81 15.872 4.229 0.210 1.00 0.00 H new ATOM 0 HA THR A 81 17.468 5.173 2.542 1.00 0.00 H new ATOM 0 HB THR A 81 14.907 6.371 1.553 1.00 0.00 H new ATOM 0 HG1 THR A 81 16.279 7.974 0.456 1.00 0.00 H new ATOM 0 HG21 THR A 81 15.765 8.446 2.646 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.653 7.083 3.785 1.00 0.00 H new ATOM 0 HG23 THR A 81 17.235 7.563 3.125 1.00 0.00 H new ATOM 1337 N ARG A 82 15.108 3.110 2.459 1.00 0.00 N ATOM 1338 CA ARG A 82 13.991 2.392 3.069 1.00 0.00 C ATOM 1339 C ARG A 82 12.790 3.346 3.201 1.00 0.00 C ATOM 1340 O ARG A 82 11.970 3.219 4.109 1.00 0.00 O ATOM 1341 CB ARG A 82 14.412 1.783 4.418 1.00 0.00 C ATOM 1342 CG ARG A 82 13.522 0.592 4.804 1.00 0.00 C ATOM 1343 CD ARG A 82 13.611 0.278 6.300 1.00 0.00 C ATOM 1344 NE ARG A 82 14.980 -0.072 6.699 1.00 0.00 N ATOM 1345 CZ ARG A 82 15.342 -0.409 7.944 1.00 0.00 C ATOM 1346 NH1 ARG A 82 14.434 -0.442 8.926 1.00 0.00 N ATOM 1347 NH2 ARG A 82 16.617 -0.717 8.200 1.00 0.00 N ATOM 0 H ARG A 82 15.498 2.636 1.644 1.00 0.00 H new ATOM 0 HA ARG A 82 13.691 1.559 2.434 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.451 1.458 4.363 1.00 0.00 H new ATOM 0 HB3 ARG A 82 14.357 2.546 5.195 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.487 0.810 4.539 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.820 -0.285 4.230 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.274 1.141 6.874 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.940 -0.547 6.540 1.00 0.00 H new ATOM 0 HE ARG A 82 15.704 -0.058 5.980 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.461 -0.210 8.729 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.715 -0.699 9.872 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.308 -0.695 7.450 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.899 -0.974 9.146 1.00 0.00 H new ATOM 1361 N GLY A 83 12.705 4.328 2.298 1.00 0.00 N ATOM 1362 CA GLY A 83 11.775 5.436 2.423 1.00 0.00 C ATOM 1363 C GLY A 83 10.508 5.079 1.679 1.00 0.00 C ATOM 1364 O GLY A 83 10.589 4.671 0.520 1.00 0.00 O ATOM 0 H GLY A 83 13.285 4.370 1.460 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.556 5.632 3.473 1.00 0.00 H new ATOM 0 HA3 GLY A 83 12.212 6.347 2.013 1.00 0.00 H new ATOM 1368 N ARG A 84 9.363 5.204 2.351 1.00 0.00 N ATOM 1369 CA ARG A 84 8.076 4.833 1.792 1.00 0.00 C ATOM 1370 C ARG A 84 7.240 6.046 1.408 1.00 0.00 C ATOM 1371 O ARG A 84 7.582 7.186 1.714 1.00 0.00 O ATOM 1372 CB ARG A 84 7.321 3.885 2.727 1.00 0.00 C ATOM 1373 CG ARG A 84 8.123 2.599 2.967 1.00 0.00 C ATOM 1374 CD ARG A 84 7.233 1.489 3.536 1.00 0.00 C ATOM 1375 NE ARG A 84 7.882 0.170 3.524 1.00 0.00 N ATOM 1376 CZ ARG A 84 8.815 -0.243 4.390 1.00 0.00 C ATOM 1377 NH1 ARG A 84 9.336 0.611 5.278 1.00 0.00 N ATOM 1378 NH2 ARG A 84 9.216 -1.518 4.367 1.00 0.00 N ATOM 0 H ARG A 84 9.309 5.568 3.302 1.00 0.00 H new ATOM 0 HA ARG A 84 8.270 4.293 0.865 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.130 4.382 3.678 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.351 3.638 2.295 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.570 2.266 2.030 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.942 2.802 3.657 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.955 1.742 4.559 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.310 1.439 2.958 1.00 0.00 H new ATOM 0 HE ARG A 84 7.598 -0.485 2.795 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.022 1.581 5.297 1.00 0.00 H new ATOM 0 HH12 ARG A 84 10.047 0.292 5.936 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.811 -2.168 3.693 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.927 -1.841 5.024 1.00 0.00 H new ATOM 1392 N LYS A 85 6.149 5.749 0.704 1.00 0.00 N ATOM 1393 CA LYS A 85 5.316 6.696 -0.028 1.00 0.00 C ATOM 1394 C LYS A 85 4.104 6.023 -0.680 1.00 0.00 C ATOM 1395 O LYS A 85 4.105 4.813 -0.889 1.00 0.00 O ATOM 1396 CB LYS A 85 6.164 7.365 -1.117 1.00 0.00 C ATOM 1397 CG LYS A 85 6.591 6.325 -2.162 1.00 0.00 C ATOM 1398 CD LYS A 85 7.902 6.675 -2.854 1.00 0.00 C ATOM 1399 CE LYS A 85 7.745 7.893 -3.774 1.00 0.00 C ATOM 1400 NZ LYS A 85 8.963 8.122 -4.570 1.00 0.00 N ATOM 0 H LYS A 85 5.806 4.791 0.626 1.00 0.00 H new ATOM 0 HA LYS A 85 4.941 7.430 0.685 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.594 8.161 -1.596 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.045 7.828 -0.671 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.691 5.353 -1.679 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.806 6.229 -2.912 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.667 6.880 -2.105 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.247 5.820 -3.436 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.896 7.741 -4.440 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.527 8.778 -3.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.827 8.952 -5.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.768 8.290 -3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.156 7.286 -5.158 1.00 0.00 H new ATOM 1414 N LEU A 86 3.093 6.821 -1.041 1.00 0.00 N ATOM 1415 CA LEU A 86 1.920 6.404 -1.803 1.00 0.00 C ATOM 1416 C LEU A 86 2.213 6.574 -3.296 1.00 0.00 C ATOM 1417 O LEU A 86 2.787 7.595 -3.673 1.00 0.00 O ATOM 1418 CB LEU A 86 0.747 7.304 -1.377 1.00 0.00 C ATOM 1419 CG LEU A 86 -0.587 7.042 -2.091 1.00 0.00 C ATOM 1420 CD1 LEU A 86 -1.105 5.630 -1.798 1.00 0.00 C ATOM 1421 CD2 LEU A 86 -1.610 8.074 -1.601 1.00 0.00 C ATOM 0 H LEU A 86 3.073 7.812 -0.799 1.00 0.00 H new ATOM 0 HA LEU A 86 1.672 5.359 -1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.593 7.186 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.030 8.343 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.437 7.128 -3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.051 5.474 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.377 4.896 -2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.257 5.514 -0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.565 7.904 -2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.739 7.975 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.254 9.078 -1.833 1.00 0.00 H new ATOM 1433 N LEU A 87 1.813 5.615 -4.142 1.00 0.00 N ATOM 1434 CA LEU A 87 1.842 5.784 -5.596 1.00 0.00 C ATOM 1435 C LEU A 87 0.432 6.023 -6.128 1.00 0.00 C ATOM 1436 O LEU A 87 0.184 7.039 -6.773 1.00 0.00 O ATOM 1437 CB LEU A 87 2.478 4.570 -6.289 1.00 0.00 C ATOM 1438 CG LEU A 87 4.001 4.499 -6.105 1.00 0.00 C ATOM 1439 CD1 LEU A 87 4.510 3.161 -6.654 1.00 0.00 C ATOM 1440 CD2 LEU A 87 4.736 5.636 -6.829 1.00 0.00 C ATOM 0 H LEU A 87 1.463 4.707 -3.837 1.00 0.00 H new ATOM 0 HA LEU A 87 2.458 6.655 -5.821 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.028 3.658 -5.896 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.248 4.606 -7.354 1.00 0.00 H new ATOM 0 HG LEU A 87 4.204 4.595 -5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.591 3.103 -6.527 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.037 2.342 -6.113 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.265 3.085 -7.713 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.809 5.538 -6.666 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.525 5.583 -7.897 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.396 6.595 -6.439 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.489 5.087 -5.882 1.00 0.00 N ATOM 1453 CA ARG A 88 -1.858 5.163 -6.379 1.00 0.00 C ATOM 1454 C ARG A 88 -2.821 4.770 -5.266 1.00 0.00 C ATOM 1455 O ARG A 88 -2.462 3.996 -4.379 1.00 0.00 O ATOM 1456 CB ARG A 88 -2.029 4.274 -7.621 1.00 0.00 C ATOM 1457 CG ARG A 88 -1.609 5.035 -8.886 1.00 0.00 C ATOM 1458 CD ARG A 88 -1.655 4.145 -10.132 1.00 0.00 C ATOM 1459 NE ARG A 88 -0.528 3.204 -10.152 1.00 0.00 N ATOM 1460 CZ ARG A 88 -0.189 2.445 -11.204 1.00 0.00 C ATOM 1461 NH1 ARG A 88 -0.958 2.426 -12.298 1.00 0.00 N ATOM 1462 NH2 ARG A 88 0.927 1.713 -11.156 1.00 0.00 N ATOM 0 H ARG A 88 -0.300 4.251 -5.328 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.083 6.186 -6.682 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.427 3.371 -7.515 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.068 3.956 -7.708 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.267 5.893 -9.028 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.600 5.425 -8.756 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.594 3.593 -10.153 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.630 4.766 -11.027 1.00 0.00 H new ATOM 0 HE ARG A 88 0.036 3.122 -9.306 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.807 2.991 -12.335 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.696 1.847 -13.096 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.515 1.734 -10.323 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.191 1.133 -11.952 1.00 0.00 H new ATOM 1476 N PHE A 89 -4.030 5.332 -5.308 1.00 0.00 N ATOM 1477 CA PHE A 89 -5.067 5.162 -4.305 1.00 0.00 C ATOM 1478 C PHE A 89 -6.396 5.130 -5.044 1.00 0.00 C ATOM 1479 O PHE A 89 -6.834 6.167 -5.536 1.00 0.00 O ATOM 1480 CB PHE A 89 -5.005 6.331 -3.317 1.00 0.00 C ATOM 1481 CG PHE A 89 -5.865 6.156 -2.082 1.00 0.00 C ATOM 1482 CD1 PHE A 89 -7.249 6.397 -2.150 1.00 0.00 C ATOM 1483 CD2 PHE A 89 -5.271 5.848 -0.842 1.00 0.00 C ATOM 1484 CE1 PHE A 89 -8.033 6.312 -0.990 1.00 0.00 C ATOM 1485 CE2 PHE A 89 -6.057 5.786 0.321 1.00 0.00 C ATOM 1486 CZ PHE A 89 -7.443 5.999 0.245 1.00 0.00 C ATOM 0 H PHE A 89 -4.319 5.941 -6.074 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.939 4.241 -3.736 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.970 6.473 -3.006 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.311 7.242 -3.832 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.708 6.647 -3.095 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.209 5.659 -0.785 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -9.097 6.488 -1.047 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.595 5.574 1.274 1.00 0.00 H new ATOM 0 HZ PHE A 89 -8.053 5.922 1.133 1.00 0.00 H new ATOM 1496 N ASN A 90 -7.011 3.953 -5.159 1.00 0.00 N ATOM 1497 CA ASN A 90 -8.241 3.776 -5.908 1.00 0.00 C ATOM 1498 C ASN A 90 -9.339 3.372 -4.938 1.00 0.00 C ATOM 1499 O ASN A 90 -9.084 2.663 -3.965 1.00 0.00 O ATOM 1500 CB ASN A 90 -8.072 2.672 -6.954 1.00 0.00 C ATOM 1501 CG ASN A 90 -6.954 2.929 -7.963 1.00 0.00 C ATOM 1502 OD1 ASN A 90 -6.493 4.051 -8.144 1.00 0.00 O ATOM 1503 ND2 ASN A 90 -6.503 1.880 -8.644 1.00 0.00 N ATOM 0 H ASN A 90 -6.663 3.095 -4.731 1.00 0.00 H new ATOM 0 HA ASN A 90 -8.495 4.707 -6.415 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -7.875 1.730 -6.443 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -9.012 2.551 -7.493 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -5.760 2.000 -9.332 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -6.900 0.955 -8.478 1.00 0.00 H new ATOM 1510 N GLY A 91 -10.570 3.783 -5.228 1.00 0.00 N ATOM 1511 CA GLY A 91 -11.735 3.361 -4.476 1.00 0.00 C ATOM 1512 C GLY A 91 -12.775 4.476 -4.361 1.00 0.00 C ATOM 1513 O GLY A 91 -12.663 5.485 -5.060 1.00 0.00 O ATOM 0 H GLY A 91 -10.783 4.421 -5.995 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -12.185 2.494 -4.960 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.429 3.046 -3.478 1.00 0.00 H new ATOM 1517 N PRO A 92 -13.774 4.302 -3.481 1.00 0.00 N ATOM 1518 CA PRO A 92 -13.959 3.105 -2.674 1.00 0.00 C ATOM 1519 C PRO A 92 -14.302 1.917 -3.572 1.00 0.00 C ATOM 1520 O PRO A 92 -14.999 2.083 -4.571 1.00 0.00 O ATOM 1521 CB PRO A 92 -15.096 3.431 -1.712 1.00 0.00 C ATOM 1522 CG PRO A 92 -15.919 4.474 -2.471 1.00 0.00 C ATOM 1523 CD PRO A 92 -14.873 5.232 -3.289 1.00 0.00 C ATOM 0 HA PRO A 92 -13.057 2.828 -2.127 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.688 2.547 -1.476 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -14.722 3.825 -0.767 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -16.667 4.006 -3.111 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -16.453 5.137 -1.790 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -15.283 5.556 -4.245 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -14.540 6.128 -2.765 1.00 0.00 H new