USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 577 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 Set 1.1: A 59 MET CE :methyl -146:sc= -0.225 (180deg=-1.3) USER MOD Set 1.2: A 63 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 71 MET CE :methyl 163:sc= -0.633 (180deg=-1.33) USER MOD Set 2.1: A 38 TYR OH : rot 30:sc= 0.452 USER MOD Set 2.2: A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -178:sc= 0 (180deg=-0.00336) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot -120:sc= -2.59 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -5.55! C(o=-5.5!,f=-13!) USER MOD Single : A 37 TYR OH : rot 30:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.524 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.185 USER MOD Single : A 48 LYS NZ :NH3+ -148:sc= -2.07! (180deg=-4.22!) USER MOD Single : A 50 GLN :FLIP amide:sc= -3.16! C(o=-5!,f=-3.2!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -20:sc= -2.54 USER MOD Single : A 62 SER OG : rot -55:sc= 0.888 USER MOD Single : A 68 THR OG1 : rot -141:sc= -2.35! USER MOD Single : A 70 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.135 11.248 -1.427 1.00 0.00 N ATOM 2 CA GLY A 1 -17.792 11.976 -1.496 1.00 0.00 C ATOM 3 C GLY A 1 -16.540 11.186 -1.666 1.00 0.00 C ATOM 4 O GLY A 1 -15.521 11.701 -2.082 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.900 11.942 -1.308 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.286 10.714 -2.306 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.133 10.592 -0.620 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.846 12.685 -2.322 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.689 12.560 -0.581 1.00 0.00 H new ATOM 10 N SER A 2 -16.578 9.919 -1.350 1.00 0.00 N ATOM 11 CA SER A 2 -15.358 9.076 -1.501 1.00 0.00 C ATOM 12 C SER A 2 -15.320 8.479 -2.908 1.00 0.00 C ATOM 13 O SER A 2 -14.399 7.774 -3.269 1.00 0.00 O ATOM 14 CB SER A 2 -15.389 7.949 -0.468 1.00 0.00 C ATOM 15 OG SER A 2 -16.444 7.050 -0.787 1.00 0.00 O ATOM 0 H SER A 2 -17.401 9.432 -0.994 1.00 0.00 H new ATOM 0 HA SER A 2 -14.470 9.689 -1.345 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.435 7.421 -0.460 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.535 8.359 0.531 1.00 0.00 H new ATOM 0 HG SER A 2 -16.466 6.325 -0.128 1.00 0.00 H new ATOM 21 N MET A 3 -16.315 8.754 -3.706 1.00 0.00 N ATOM 22 CA MET A 3 -16.336 8.200 -5.090 1.00 0.00 C ATOM 23 C MET A 3 -15.980 6.713 -5.049 1.00 0.00 C ATOM 24 O MET A 3 -16.329 6.007 -4.125 1.00 0.00 O ATOM 25 CB MET A 3 -15.317 8.946 -5.952 1.00 0.00 C ATOM 26 CG MET A 3 -15.726 10.416 -6.071 1.00 0.00 C ATOM 27 SD MET A 3 -17.304 10.535 -6.948 1.00 0.00 S ATOM 28 CE MET A 3 -16.632 10.535 -8.628 1.00 0.00 C ATOM 0 H MET A 3 -17.114 9.338 -3.460 1.00 0.00 H new ATOM 0 HA MET A 3 -17.332 8.323 -5.517 1.00 0.00 H new ATOM 0 HB2 MET A 3 -14.324 8.869 -5.509 1.00 0.00 H new ATOM 0 HB3 MET A 3 -15.261 8.492 -6.941 1.00 0.00 H new ATOM 0 HG2 MET A 3 -15.814 10.861 -5.080 1.00 0.00 H new ATOM 0 HG3 MET A 3 -14.958 10.976 -6.605 1.00 0.00 H new ATOM 0 HE1 MET A 3 -17.446 10.639 -9.345 1.00 0.00 H new ATOM 0 HE2 MET A 3 -15.939 11.368 -8.743 1.00 0.00 H new ATOM 0 HE3 MET A 3 -16.106 9.598 -8.809 1.00 0.00 H new ATOM 38 N GLU A 4 -15.287 6.233 -6.046 1.00 0.00 N ATOM 39 CA GLU A 4 -14.925 4.788 -6.072 1.00 0.00 C ATOM 40 C GLU A 4 -13.542 4.598 -5.445 1.00 0.00 C ATOM 41 O GLU A 4 -12.774 3.750 -5.855 1.00 0.00 O ATOM 42 CB GLU A 4 -14.899 4.295 -7.521 1.00 0.00 C ATOM 43 CG GLU A 4 -13.913 5.139 -8.331 1.00 0.00 C ATOM 44 CD GLU A 4 -13.934 4.687 -9.792 1.00 0.00 C ATOM 45 OE1 GLU A 4 -14.127 3.505 -10.023 1.00 0.00 O ATOM 46 OE2 GLU A 4 -13.754 5.529 -10.655 1.00 0.00 O ATOM 0 H GLU A 4 -14.957 6.778 -6.842 1.00 0.00 H new ATOM 0 HA GLU A 4 -15.663 4.218 -5.507 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.608 3.245 -7.554 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.896 4.363 -7.957 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.179 6.194 -8.262 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -12.908 5.036 -7.922 1.00 0.00 H new ATOM 53 N ARG A 5 -13.217 5.381 -4.453 1.00 0.00 N ATOM 54 CA ARG A 5 -11.888 5.239 -3.796 1.00 0.00 C ATOM 55 C ARG A 5 -10.782 5.408 -4.840 1.00 0.00 C ATOM 56 O ARG A 5 -10.885 4.925 -5.949 1.00 0.00 O ATOM 57 CB ARG A 5 -11.779 3.852 -3.157 1.00 0.00 C ATOM 58 CG ARG A 5 -12.636 3.805 -1.891 1.00 0.00 C ATOM 59 CD ARG A 5 -13.095 2.368 -1.638 1.00 0.00 C ATOM 60 NE ARG A 5 -11.935 1.548 -1.190 1.00 0.00 N ATOM 61 CZ ARG A 5 -12.062 0.256 -1.054 1.00 0.00 C ATOM 62 NH1 ARG A 5 -13.205 -0.317 -1.312 1.00 0.00 N ATOM 63 NH2 ARG A 5 -11.044 -0.461 -0.662 1.00 0.00 N ATOM 0 H ARG A 5 -13.815 6.113 -4.069 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.781 6.003 -3.026 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.109 3.088 -3.861 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.739 3.633 -2.914 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -12.064 4.171 -1.038 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.500 4.460 -2.000 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -13.879 2.353 -0.881 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -13.523 1.946 -2.547 1.00 0.00 H new ATOM 0 HE ARG A 5 -11.041 1.996 -0.989 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -13.999 0.244 -1.620 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -13.305 -1.327 -1.206 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -10.150 -0.012 -0.462 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -11.142 -1.471 -0.555 1.00 0.00 H new ATOM 77 N LYS A 6 -9.725 6.090 -4.493 1.00 0.00 N ATOM 78 CA LYS A 6 -8.624 6.308 -5.473 1.00 0.00 C ATOM 79 C LYS A 6 -7.826 5.012 -5.640 1.00 0.00 C ATOM 80 O LYS A 6 -7.846 4.146 -4.789 1.00 0.00 O ATOM 81 CB LYS A 6 -7.698 7.413 -4.964 1.00 0.00 C ATOM 82 CG LYS A 6 -8.406 8.766 -5.079 1.00 0.00 C ATOM 83 CD LYS A 6 -9.228 9.022 -3.815 1.00 0.00 C ATOM 84 CE LYS A 6 -9.954 10.363 -3.939 1.00 0.00 C ATOM 85 NZ LYS A 6 -10.775 10.599 -2.719 1.00 0.00 N ATOM 0 H LYS A 6 -9.576 6.506 -3.573 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.047 6.602 -6.434 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.422 7.222 -3.927 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.774 7.423 -5.543 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.673 9.561 -5.216 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.054 8.776 -5.955 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.950 8.218 -3.669 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.577 9.029 -2.941 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.231 11.169 -4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.590 10.364 -4.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.268 11.511 -2.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.474 9.835 -2.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.157 10.616 -1.883 1.00 0.00 H new ATOM 99 N ARG A 7 -7.127 4.871 -6.733 1.00 0.00 N ATOM 100 CA ARG A 7 -6.344 3.624 -6.962 1.00 0.00 C ATOM 101 C ARG A 7 -5.125 3.940 -7.831 1.00 0.00 C ATOM 102 O ARG A 7 -5.201 4.712 -8.766 1.00 0.00 O ATOM 103 CB ARG A 7 -7.224 2.594 -7.671 1.00 0.00 C ATOM 104 CG ARG A 7 -8.373 2.182 -6.748 1.00 0.00 C ATOM 105 CD ARG A 7 -9.151 1.029 -7.383 1.00 0.00 C ATOM 106 NE ARG A 7 -8.279 -0.177 -7.460 1.00 0.00 N ATOM 107 CZ ARG A 7 -8.734 -1.279 -7.995 1.00 0.00 C ATOM 108 NH1 ARG A 7 -9.949 -1.321 -8.463 1.00 0.00 N ATOM 109 NH2 ARG A 7 -7.970 -2.334 -8.061 1.00 0.00 N ATOM 0 H ARG A 7 -7.064 5.566 -7.477 1.00 0.00 H new ATOM 0 HA ARG A 7 -6.012 3.221 -6.005 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.619 3.013 -8.596 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.632 1.721 -7.944 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.982 1.879 -5.777 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -9.036 3.030 -6.575 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -10.042 0.810 -6.794 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.489 1.310 -8.380 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.327 -0.142 -7.095 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.544 -0.494 -8.412 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.305 -2.181 -8.881 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -7.019 -2.298 -7.695 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.324 -3.195 -8.478 1.00 0.00 H new ATOM 123 N TRP A 8 -4.001 3.348 -7.532 1.00 0.00 N ATOM 124 CA TRP A 8 -2.785 3.603 -8.353 1.00 0.00 C ATOM 125 C TRP A 8 -1.706 2.578 -7.995 1.00 0.00 C ATOM 126 O TRP A 8 -1.530 2.221 -6.847 1.00 0.00 O ATOM 127 CB TRP A 8 -2.264 5.011 -8.068 1.00 0.00 C ATOM 128 CG TRP A 8 -2.835 5.503 -6.777 1.00 0.00 C ATOM 129 CD1 TRP A 8 -2.829 4.814 -5.612 1.00 0.00 C ATOM 130 CD2 TRP A 8 -3.495 6.773 -6.498 1.00 0.00 C ATOM 131 NE1 TRP A 8 -3.442 5.580 -4.637 1.00 0.00 N ATOM 132 CE2 TRP A 8 -3.870 6.795 -5.133 1.00 0.00 C ATOM 133 CE3 TRP A 8 -3.802 7.894 -7.289 1.00 0.00 C ATOM 134 CZ2 TRP A 8 -4.527 7.891 -4.574 1.00 0.00 C ATOM 135 CZ3 TRP A 8 -4.461 9.001 -6.729 1.00 0.00 C ATOM 136 CH2 TRP A 8 -4.823 8.998 -5.374 1.00 0.00 C ATOM 0 H TRP A 8 -3.873 2.699 -6.755 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.035 3.515 -9.410 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -1.175 5.004 -8.017 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -2.541 5.684 -8.880 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -2.414 3.828 -5.467 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -3.563 5.283 -3.669 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.529 7.904 -8.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -4.805 7.884 -3.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.690 9.858 -7.345 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -5.331 9.851 -4.949 1.00 0.00 H new ATOM 147 N GLU A 9 -0.981 2.100 -8.970 1.00 0.00 N ATOM 148 CA GLU A 9 0.106 1.123 -8.682 1.00 0.00 C ATOM 149 C GLU A 9 1.398 1.877 -8.365 1.00 0.00 C ATOM 150 O GLU A 9 1.753 2.829 -9.031 1.00 0.00 O ATOM 151 CB GLU A 9 0.323 0.227 -9.902 1.00 0.00 C ATOM 152 CG GLU A 9 -0.894 -0.680 -10.094 1.00 0.00 C ATOM 153 CD GLU A 9 -0.690 -1.555 -11.332 1.00 0.00 C ATOM 154 OE1 GLU A 9 0.350 -1.430 -11.957 1.00 0.00 O ATOM 155 OE2 GLU A 9 -1.578 -2.335 -11.635 1.00 0.00 O ATOM 0 H GLU A 9 -1.095 2.344 -9.954 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.175 0.509 -7.827 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.478 0.838 -10.791 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.221 -0.376 -9.768 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -1.037 -1.306 -9.213 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.795 -0.078 -10.206 1.00 0.00 H new ATOM 162 N CYS A 10 2.108 1.459 -7.352 1.00 0.00 N ATOM 163 CA CYS A 10 3.373 2.156 -6.989 1.00 0.00 C ATOM 164 C CYS A 10 4.554 1.455 -7.663 1.00 0.00 C ATOM 165 O CYS A 10 4.598 0.244 -7.754 1.00 0.00 O ATOM 166 CB CYS A 10 3.557 2.121 -5.470 1.00 0.00 C ATOM 167 SG CYS A 10 2.041 2.693 -4.664 1.00 0.00 S ATOM 0 H CYS A 10 1.866 0.664 -6.760 1.00 0.00 H new ATOM 0 HA CYS A 10 3.326 3.192 -7.325 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.794 1.108 -5.145 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.396 2.753 -5.180 1.00 0.00 H new ATOM 0 HG CYS A 10 2.303 3.742 -3.942 1.00 0.00 H new ATOM 173 N PRO A 11 5.504 2.217 -8.130 1.00 0.00 N ATOM 174 CA PRO A 11 6.717 1.676 -8.805 1.00 0.00 C ATOM 175 C PRO A 11 7.653 0.959 -7.828 1.00 0.00 C ATOM 176 O PRO A 11 8.543 0.232 -8.225 1.00 0.00 O ATOM 177 CB PRO A 11 7.398 2.918 -9.382 1.00 0.00 C ATOM 178 CG PRO A 11 6.936 4.057 -8.534 1.00 0.00 C ATOM 179 CD PRO A 11 5.521 3.687 -8.064 1.00 0.00 C ATOM 0 HA PRO A 11 6.461 0.930 -9.558 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.483 2.821 -9.351 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.121 3.068 -10.426 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.603 4.207 -7.685 1.00 0.00 H new ATOM 0 HG3 PRO A 11 6.928 4.988 -9.101 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.329 4.045 -7.052 1.00 0.00 H new ATOM 0 HD3 PRO A 11 4.758 4.125 -8.707 1.00 0.00 H new ATOM 187 N ALA A 12 7.459 1.156 -6.552 1.00 0.00 N ATOM 188 CA ALA A 12 8.335 0.483 -5.552 1.00 0.00 C ATOM 189 C ALA A 12 7.721 -0.862 -5.159 1.00 0.00 C ATOM 190 O ALA A 12 8.353 -1.681 -4.522 1.00 0.00 O ATOM 191 CB ALA A 12 8.463 1.368 -4.311 1.00 0.00 C ATOM 0 H ALA A 12 6.732 1.754 -6.159 1.00 0.00 H new ATOM 0 HA ALA A 12 9.322 0.318 -5.985 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.104 0.877 -3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.900 2.326 -4.591 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.476 1.532 -3.878 1.00 0.00 H new ATOM 197 N LEU A 13 6.494 -1.098 -5.533 1.00 0.00 N ATOM 198 CA LEU A 13 5.841 -2.390 -5.180 1.00 0.00 C ATOM 199 C LEU A 13 5.894 -3.333 -6.383 1.00 0.00 C ATOM 200 O LEU A 13 5.870 -2.904 -7.520 1.00 0.00 O ATOM 201 CB LEU A 13 4.383 -2.136 -4.794 1.00 0.00 C ATOM 202 CG LEU A 13 4.296 -1.815 -3.302 1.00 0.00 C ATOM 203 CD1 LEU A 13 5.318 -0.731 -2.952 1.00 0.00 C ATOM 204 CD2 LEU A 13 2.889 -1.312 -2.970 1.00 0.00 C ATOM 0 H LEU A 13 5.915 -0.451 -6.068 1.00 0.00 H new ATOM 0 HA LEU A 13 6.365 -2.844 -4.339 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.980 -1.309 -5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.777 -3.013 -5.024 1.00 0.00 H new ATOM 0 HG LEU A 13 4.508 -2.715 -2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.256 -0.502 -1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.321 -1.086 -3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.106 0.169 -3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.826 -1.083 -1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.678 -0.412 -3.548 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.159 -2.082 -3.219 1.00 0.00 H new ATOM 216 N PRO A 14 5.966 -4.611 -6.129 1.00 0.00 N ATOM 217 CA PRO A 14 6.002 -5.647 -7.199 1.00 0.00 C ATOM 218 C PRO A 14 4.659 -5.776 -7.926 1.00 0.00 C ATOM 219 O PRO A 14 3.610 -5.561 -7.354 1.00 0.00 O ATOM 220 CB PRO A 14 6.327 -6.939 -6.447 1.00 0.00 C ATOM 221 CG PRO A 14 5.859 -6.714 -5.047 1.00 0.00 C ATOM 222 CD PRO A 14 6.018 -5.207 -4.785 1.00 0.00 C ATOM 0 HA PRO A 14 6.727 -5.401 -7.974 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.821 -7.793 -6.897 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.396 -7.151 -6.474 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.821 -7.023 -4.928 1.00 0.00 H new ATOM 0 HG3 PRO A 14 6.449 -7.297 -4.340 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.221 -4.825 -4.147 1.00 0.00 H new ATOM 0 HD3 PRO A 14 6.961 -4.985 -4.285 1.00 0.00 H new ATOM 230 N GLN A 15 4.687 -6.123 -9.184 1.00 0.00 N ATOM 231 CA GLN A 15 3.414 -6.253 -9.947 1.00 0.00 C ATOM 232 C GLN A 15 2.460 -7.183 -9.195 1.00 0.00 C ATOM 233 O GLN A 15 2.820 -8.277 -8.811 1.00 0.00 O ATOM 234 CB GLN A 15 3.708 -6.835 -11.332 1.00 0.00 C ATOM 235 CG GLN A 15 4.619 -8.055 -11.190 1.00 0.00 C ATOM 236 CD GLN A 15 4.946 -8.613 -12.577 1.00 0.00 C ATOM 237 OE1 GLN A 15 4.805 -7.925 -13.570 1.00 0.00 O ATOM 238 NE2 GLN A 15 5.379 -9.839 -12.688 1.00 0.00 N ATOM 0 H GLN A 15 5.535 -6.322 -9.715 1.00 0.00 H new ATOM 0 HA GLN A 15 2.953 -5.271 -10.055 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.778 -7.118 -11.824 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.185 -6.083 -11.960 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.537 -7.778 -10.672 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.130 -8.819 -10.585 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.497 -10.416 -11.855 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.599 -10.221 -13.608 1.00 0.00 H new ATOM 247 N GLY A 16 1.245 -6.757 -8.983 1.00 0.00 N ATOM 248 CA GLY A 16 0.266 -7.621 -8.267 1.00 0.00 C ATOM 249 C GLY A 16 -0.263 -6.884 -7.035 1.00 0.00 C ATOM 250 O GLY A 16 -1.349 -7.150 -6.559 1.00 0.00 O ATOM 0 H GLY A 16 0.888 -5.847 -9.275 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.559 -7.880 -8.930 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.741 -8.556 -7.968 1.00 0.00 H new ATOM 254 N TRP A 17 0.495 -5.958 -6.515 1.00 0.00 N ATOM 255 CA TRP A 17 0.031 -5.200 -5.319 1.00 0.00 C ATOM 256 C TRP A 17 -0.807 -4.002 -5.768 1.00 0.00 C ATOM 257 O TRP A 17 -0.626 -3.475 -6.848 1.00 0.00 O ATOM 258 CB TRP A 17 1.241 -4.708 -4.526 1.00 0.00 C ATOM 259 CG TRP A 17 1.951 -5.878 -3.922 1.00 0.00 C ATOM 260 CD1 TRP A 17 2.342 -6.982 -4.598 1.00 0.00 C ATOM 261 CD2 TRP A 17 2.358 -6.079 -2.537 1.00 0.00 C ATOM 262 NE1 TRP A 17 2.963 -7.848 -3.716 1.00 0.00 N ATOM 263 CE2 TRP A 17 2.997 -7.336 -2.434 1.00 0.00 C ATOM 264 CE3 TRP A 17 2.234 -5.300 -1.373 1.00 0.00 C ATOM 265 CZ2 TRP A 17 3.498 -7.805 -1.218 1.00 0.00 C ATOM 266 CZ3 TRP A 17 2.737 -5.769 -0.147 1.00 0.00 C ATOM 267 CH2 TRP A 17 3.368 -7.019 -0.071 1.00 0.00 C ATOM 0 H TRP A 17 1.415 -5.694 -6.867 1.00 0.00 H new ATOM 0 HA TRP A 17 -0.575 -5.851 -4.689 1.00 0.00 H new ATOM 0 HB2 TRP A 17 1.917 -4.156 -5.179 1.00 0.00 H new ATOM 0 HB3 TRP A 17 0.921 -4.020 -3.744 1.00 0.00 H new ATOM 0 HD1 TRP A 17 2.194 -7.159 -5.653 1.00 0.00 H new ATOM 0 HE1 TRP A 17 3.349 -8.754 -3.980 1.00 0.00 H new ATOM 0 HE3 TRP A 17 1.750 -4.336 -1.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 3.983 -8.769 -1.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.637 -5.163 0.741 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.753 -7.374 0.874 1.00 0.00 H new ATOM 278 N GLU A 18 -1.725 -3.565 -4.948 1.00 0.00 N ATOM 279 CA GLU A 18 -2.581 -2.410 -5.335 1.00 0.00 C ATOM 280 C GLU A 18 -2.577 -1.371 -4.212 1.00 0.00 C ATOM 281 O GLU A 18 -2.487 -1.704 -3.047 1.00 0.00 O ATOM 282 CB GLU A 18 -4.014 -2.894 -5.575 1.00 0.00 C ATOM 283 CG GLU A 18 -4.040 -3.832 -6.784 1.00 0.00 C ATOM 284 CD GLU A 18 -3.720 -3.038 -8.053 1.00 0.00 C ATOM 285 OE1 GLU A 18 -3.669 -1.822 -7.970 1.00 0.00 O ATOM 286 OE2 GLU A 18 -3.528 -3.660 -9.084 1.00 0.00 O ATOM 0 H GLU A 18 -1.918 -3.959 -4.027 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.191 -1.960 -6.248 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.387 -3.412 -4.691 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.673 -2.043 -5.747 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.314 -4.634 -6.651 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.020 -4.301 -6.873 1.00 0.00 H new ATOM 293 N ARG A 19 -2.672 -0.115 -4.551 1.00 0.00 N ATOM 294 CA ARG A 19 -2.683 0.943 -3.503 1.00 0.00 C ATOM 295 C ARG A 19 -3.888 1.861 -3.719 1.00 0.00 C ATOM 296 O ARG A 19 -4.081 2.408 -4.787 1.00 0.00 O ATOM 297 CB ARG A 19 -1.394 1.763 -3.591 1.00 0.00 C ATOM 298 CG ARG A 19 -1.477 2.950 -2.629 1.00 0.00 C ATOM 299 CD ARG A 19 -0.193 3.775 -2.725 1.00 0.00 C ATOM 300 NE ARG A 19 -0.288 4.949 -1.812 1.00 0.00 N ATOM 301 CZ ARG A 19 -0.827 6.061 -2.232 1.00 0.00 C ATOM 302 NH1 ARG A 19 -1.285 6.145 -3.450 1.00 0.00 N ATOM 303 NH2 ARG A 19 -0.908 7.090 -1.432 1.00 0.00 N ATOM 0 H ARG A 19 -2.743 0.224 -5.510 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.751 0.479 -2.519 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.536 1.139 -3.342 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.245 2.118 -4.611 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.339 3.570 -2.873 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.618 2.595 -1.608 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.667 3.161 -2.457 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.039 4.110 -3.751 1.00 0.00 H new ATOM 0 HE ARG A 19 0.068 4.883 -0.859 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.222 5.341 -4.075 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.706 7.014 -3.778 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.550 7.025 -0.479 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.329 7.959 -1.760 1.00 0.00 H new ATOM 317 N GLU A 20 -4.701 2.036 -2.713 1.00 0.00 N ATOM 318 CA GLU A 20 -5.897 2.911 -2.867 1.00 0.00 C ATOM 319 C GLU A 20 -6.006 3.843 -1.658 1.00 0.00 C ATOM 320 O GLU A 20 -5.779 3.445 -0.532 1.00 0.00 O ATOM 321 CB GLU A 20 -7.154 2.045 -2.958 1.00 0.00 C ATOM 322 CG GLU A 20 -7.304 1.225 -1.675 1.00 0.00 C ATOM 323 CD GLU A 20 -8.535 0.322 -1.787 1.00 0.00 C ATOM 324 OE1 GLU A 20 -9.292 0.500 -2.726 1.00 0.00 O ATOM 325 OE2 GLU A 20 -8.698 -0.532 -0.931 1.00 0.00 O ATOM 0 H GLU A 20 -4.589 1.611 -1.792 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.798 3.505 -3.776 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.032 2.674 -3.105 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.090 1.382 -3.821 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.411 0.622 -1.510 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.404 1.889 -0.816 1.00 0.00 H new ATOM 332 N GLU A 21 -6.353 5.081 -1.882 1.00 0.00 N ATOM 333 CA GLU A 21 -6.472 6.040 -0.747 1.00 0.00 C ATOM 334 C GLU A 21 -7.948 6.223 -0.389 1.00 0.00 C ATOM 335 O GLU A 21 -8.819 6.092 -1.225 1.00 0.00 O ATOM 336 CB GLU A 21 -5.874 7.388 -1.153 1.00 0.00 C ATOM 337 CG GLU A 21 -5.964 8.364 0.022 1.00 0.00 C ATOM 338 CD GLU A 21 -5.331 9.699 -0.372 1.00 0.00 C ATOM 339 OE1 GLU A 21 -6.003 10.480 -1.026 1.00 0.00 O ATOM 340 OE2 GLU A 21 -4.185 9.917 -0.014 1.00 0.00 O ATOM 0 H GLU A 21 -6.559 5.470 -2.802 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.934 5.650 0.117 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.834 7.260 -1.454 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.408 7.790 -2.014 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.006 8.513 0.305 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.454 7.950 0.892 1.00 0.00 H new ATOM 347 N VAL A 22 -8.237 6.523 0.848 1.00 0.00 N ATOM 348 CA VAL A 22 -9.659 6.703 1.257 1.00 0.00 C ATOM 349 C VAL A 22 -9.782 7.942 2.149 1.00 0.00 C ATOM 350 O VAL A 22 -9.145 8.042 3.177 1.00 0.00 O ATOM 351 CB VAL A 22 -10.126 5.471 2.032 1.00 0.00 C ATOM 352 CG1 VAL A 22 -11.654 5.436 2.064 1.00 0.00 C ATOM 353 CG2 VAL A 22 -9.604 4.208 1.342 1.00 0.00 C ATOM 0 H VAL A 22 -7.551 6.651 1.592 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.278 6.831 0.369 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.742 5.517 3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.986 4.557 2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.028 6.335 2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.038 5.390 1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.936 3.328 1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.989 4.164 0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.515 4.231 1.317 1.00 0.00 H new ATOM 363 N PRO A 23 -10.604 8.875 1.750 1.00 0.00 N ATOM 364 CA PRO A 23 -10.807 10.146 2.499 1.00 0.00 C ATOM 365 C PRO A 23 -11.695 9.953 3.732 1.00 0.00 C ATOM 366 O PRO A 23 -12.671 9.229 3.699 1.00 0.00 O ATOM 367 CB PRO A 23 -11.494 11.058 1.483 1.00 0.00 C ATOM 368 CG PRO A 23 -12.227 10.140 0.559 1.00 0.00 C ATOM 369 CD PRO A 23 -11.428 8.816 0.532 1.00 0.00 C ATOM 0 HA PRO A 23 -9.868 10.548 2.880 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.178 11.749 1.975 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.766 11.662 0.941 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -13.246 9.971 0.907 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.299 10.571 -0.440 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.090 7.950 0.539 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.812 8.739 -0.364 1.00 0.00 H new ATOM 377 N ARG A 24 -11.367 10.594 4.819 1.00 0.00 N ATOM 378 CA ARG A 24 -12.212 10.472 6.041 1.00 0.00 C ATOM 379 C ARG A 24 -13.288 11.559 6.029 1.00 0.00 C ATOM 380 O ARG A 24 -13.240 12.485 5.244 1.00 0.00 O ATOM 381 CB ARG A 24 -11.335 10.634 7.286 1.00 0.00 C ATOM 382 CG ARG A 24 -12.155 10.298 8.533 1.00 0.00 C ATOM 383 CD ARG A 24 -11.216 10.119 9.727 1.00 0.00 C ATOM 384 NE ARG A 24 -10.379 8.903 9.522 1.00 0.00 N ATOM 385 CZ ARG A 24 -9.362 8.670 10.306 1.00 0.00 C ATOM 386 NH1 ARG A 24 -9.079 9.503 11.272 1.00 0.00 N ATOM 387 NH2 ARG A 24 -8.627 7.607 10.127 1.00 0.00 N ATOM 0 H ARG A 24 -10.550 11.197 4.915 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.688 9.492 6.057 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.467 9.978 7.221 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.959 11.655 7.349 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.871 11.094 8.736 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.730 9.387 8.369 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.580 10.997 9.838 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.793 10.025 10.647 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.601 8.252 8.768 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.653 10.335 11.413 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.284 9.322 11.885 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.847 6.956 9.373 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.833 7.427 10.741 1.00 0.00 H new ATOM 401 N ARG A 25 -14.259 11.455 6.896 1.00 0.00 N ATOM 402 CA ARG A 25 -15.351 12.469 6.916 1.00 0.00 C ATOM 403 C ARG A 25 -15.371 13.170 8.275 1.00 0.00 C ATOM 404 O ARG A 25 -14.341 13.489 8.835 1.00 0.00 O ATOM 405 CB ARG A 25 -16.694 11.775 6.680 1.00 0.00 C ATOM 406 CG ARG A 25 -16.693 11.108 5.303 1.00 0.00 C ATOM 407 CD ARG A 25 -17.998 10.336 5.108 1.00 0.00 C ATOM 408 NE ARG A 25 -18.047 9.194 6.063 1.00 0.00 N ATOM 409 CZ ARG A 25 -19.115 8.445 6.131 1.00 0.00 C ATOM 410 NH1 ARG A 25 -20.138 8.698 5.363 1.00 0.00 N ATOM 411 NH2 ARG A 25 -19.158 7.444 6.967 1.00 0.00 N ATOM 0 H ARG A 25 -14.343 10.712 7.590 1.00 0.00 H new ATOM 0 HA ARG A 25 -15.179 13.205 6.131 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -16.871 11.030 7.456 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -17.505 12.500 6.743 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -16.584 11.861 4.523 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -15.842 10.432 5.215 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -18.851 10.996 5.269 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -18.067 9.970 4.083 1.00 0.00 H new ATOM 0 HE ARG A 25 -17.247 8.997 6.664 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -20.104 9.480 4.710 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -20.972 8.113 5.416 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -18.358 7.246 7.568 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -19.992 6.859 7.020 1.00 0.00 H new ATOM 425 N SER A 26 -16.536 13.414 8.810 1.00 0.00 N ATOM 426 CA SER A 26 -16.620 14.107 10.127 1.00 0.00 C ATOM 427 C SER A 26 -15.492 13.617 11.034 1.00 0.00 C ATOM 428 O SER A 26 -14.852 12.620 10.763 1.00 0.00 O ATOM 429 CB SER A 26 -17.969 13.800 10.777 1.00 0.00 C ATOM 430 OG SER A 26 -18.216 12.402 10.710 1.00 0.00 O ATOM 0 H SER A 26 -17.432 13.164 8.393 1.00 0.00 H new ATOM 0 HA SER A 26 -16.524 15.183 9.980 1.00 0.00 H new ATOM 0 HB2 SER A 26 -17.969 14.131 11.815 1.00 0.00 H new ATOM 0 HB3 SER A 26 -18.763 14.346 10.268 1.00 0.00 H new ATOM 0 HG SER A 26 -19.080 12.202 11.128 1.00 0.00 H new ATOM 436 N GLY A 27 -15.242 14.308 12.113 1.00 0.00 N ATOM 437 CA GLY A 27 -14.141 13.891 13.027 1.00 0.00 C ATOM 438 C GLY A 27 -12.983 14.886 12.921 1.00 0.00 C ATOM 439 O GLY A 27 -12.795 15.527 11.907 1.00 0.00 O ATOM 0 H GLY A 27 -15.752 15.143 12.401 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -14.504 13.847 14.054 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.798 12.889 12.767 1.00 0.00 H new ATOM 443 N LEU A 28 -12.206 15.018 13.961 1.00 0.00 N ATOM 444 CA LEU A 28 -11.065 15.976 13.919 1.00 0.00 C ATOM 445 C LEU A 28 -10.118 15.591 12.781 1.00 0.00 C ATOM 446 O LEU A 28 -9.626 16.436 12.058 1.00 0.00 O ATOM 447 CB LEU A 28 -10.308 15.925 15.249 1.00 0.00 C ATOM 448 CG LEU A 28 -11.205 16.461 16.367 1.00 0.00 C ATOM 449 CD1 LEU A 28 -10.493 16.305 17.712 1.00 0.00 C ATOM 450 CD2 LEU A 28 -11.499 17.942 16.117 1.00 0.00 C ATOM 0 H LEU A 28 -12.311 14.505 14.836 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.443 16.985 13.753 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.007 14.901 15.469 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.396 16.518 15.184 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.140 15.900 16.383 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.132 16.687 18.508 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.281 15.251 17.891 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.559 16.866 17.696 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.138 18.325 16.913 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.563 18.501 16.102 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.005 18.056 15.158 1.00 0.00 H new ATOM 462 N SER A 29 -9.859 14.323 12.612 1.00 0.00 N ATOM 463 CA SER A 29 -8.965 13.886 11.505 1.00 0.00 C ATOM 464 C SER A 29 -9.680 14.079 10.166 1.00 0.00 C ATOM 465 O SER A 29 -9.452 13.351 9.220 1.00 0.00 O ATOM 466 CB SER A 29 -8.613 12.409 11.687 1.00 0.00 C ATOM 467 OG SER A 29 -7.472 12.299 12.528 1.00 0.00 O ATOM 0 H SER A 29 -10.229 13.571 13.194 1.00 0.00 H new ATOM 0 HA SER A 29 -8.052 14.481 11.518 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.455 11.874 12.125 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.412 11.949 10.719 1.00 0.00 H new ATOM 0 HG SER A 29 -7.244 11.353 12.648 1.00 0.00 H new ATOM 473 N ALA A 30 -10.545 15.052 10.078 1.00 0.00 N ATOM 474 CA ALA A 30 -11.277 15.287 8.802 1.00 0.00 C ATOM 475 C ALA A 30 -10.289 15.738 7.725 1.00 0.00 C ATOM 476 O ALA A 30 -9.281 16.353 8.011 1.00 0.00 O ATOM 477 CB ALA A 30 -12.334 16.372 9.013 1.00 0.00 C ATOM 0 H ALA A 30 -10.776 15.695 10.835 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.763 14.364 8.486 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.870 16.544 8.080 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.037 16.050 9.781 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.849 17.296 9.329 1.00 0.00 H new ATOM 483 N GLY A 31 -10.570 15.440 6.486 1.00 0.00 N ATOM 484 CA GLY A 31 -9.647 15.854 5.392 1.00 0.00 C ATOM 485 C GLY A 31 -8.454 14.898 5.341 1.00 0.00 C ATOM 486 O GLY A 31 -7.742 14.832 4.359 1.00 0.00 O ATOM 0 H GLY A 31 -11.399 14.928 6.184 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.172 15.848 4.437 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.302 16.874 5.560 1.00 0.00 H new ATOM 490 N HIS A 32 -8.230 14.159 6.393 1.00 0.00 N ATOM 491 CA HIS A 32 -7.084 13.204 6.400 1.00 0.00 C ATOM 492 C HIS A 32 -7.389 12.034 5.464 1.00 0.00 C ATOM 493 O HIS A 32 -8.452 11.448 5.513 1.00 0.00 O ATOM 494 CB HIS A 32 -6.869 12.678 7.822 1.00 0.00 C ATOM 495 CG HIS A 32 -6.426 13.806 8.713 1.00 0.00 C ATOM 496 ND1 HIS A 32 -7.282 14.834 9.085 1.00 0.00 N ATOM 497 CD2 HIS A 32 -5.223 14.082 9.314 1.00 0.00 C ATOM 498 CE1 HIS A 32 -6.586 15.674 9.876 1.00 0.00 C ATOM 499 NE2 HIS A 32 -5.331 15.259 10.046 1.00 0.00 N ATOM 0 H HIS A 32 -8.789 14.174 7.246 1.00 0.00 H new ATOM 0 HA HIS A 32 -6.183 13.714 6.060 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -7.792 12.241 8.203 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -6.119 11.887 7.819 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -4.331 13.479 9.231 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -6.994 16.571 10.317 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -4.602 15.711 10.598 1.00 0.00 H new ATOM 508 N ARG A 33 -6.465 11.689 4.611 1.00 0.00 N ATOM 509 CA ARG A 33 -6.709 10.567 3.661 1.00 0.00 C ATOM 510 C ARG A 33 -5.883 9.352 4.084 1.00 0.00 C ATOM 511 O ARG A 33 -4.676 9.329 3.942 1.00 0.00 O ATOM 512 CB ARG A 33 -6.299 10.996 2.250 1.00 0.00 C ATOM 513 CG ARG A 33 -6.695 12.457 2.024 1.00 0.00 C ATOM 514 CD ARG A 33 -8.202 12.545 1.777 1.00 0.00 C ATOM 515 NE ARG A 33 -8.910 12.707 3.078 1.00 0.00 N ATOM 516 CZ ARG A 33 -10.084 13.274 3.114 1.00 0.00 C ATOM 517 NH1 ARG A 33 -10.639 13.701 2.014 1.00 0.00 N ATOM 518 NH2 ARG A 33 -10.706 13.415 4.254 1.00 0.00 N ATOM 0 H ARG A 33 -5.551 12.135 4.530 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.768 10.307 3.669 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.223 10.876 2.120 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.783 10.359 1.510 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.422 13.057 2.892 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.152 12.864 1.171 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.425 13.387 1.122 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.551 11.645 1.270 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.477 12.375 3.940 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.155 13.592 1.123 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.557 14.144 2.045 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.274 13.082 5.116 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.624 13.858 4.283 1.00 0.00 H new ATOM 532 N ASP A 34 -6.524 8.341 4.604 1.00 0.00 N ATOM 533 CA ASP A 34 -5.776 7.122 5.024 1.00 0.00 C ATOM 534 C ASP A 34 -5.434 6.283 3.792 1.00 0.00 C ATOM 535 O ASP A 34 -6.261 6.067 2.928 1.00 0.00 O ATOM 536 CB ASP A 34 -6.641 6.297 5.979 1.00 0.00 C ATOM 537 CG ASP A 34 -5.868 5.055 6.424 1.00 0.00 C ATOM 538 OD1 ASP A 34 -4.858 4.755 5.807 1.00 0.00 O ATOM 539 OD2 ASP A 34 -6.298 4.422 7.375 1.00 0.00 O ATOM 0 H ASP A 34 -7.532 8.306 4.756 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.856 7.416 5.529 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.917 6.897 6.846 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.568 6.004 5.486 1.00 0.00 H new ATOM 544 N VAL A 35 -4.223 5.808 3.703 1.00 0.00 N ATOM 545 CA VAL A 35 -3.828 4.987 2.524 1.00 0.00 C ATOM 546 C VAL A 35 -3.742 3.516 2.933 1.00 0.00 C ATOM 547 O VAL A 35 -3.088 3.165 3.894 1.00 0.00 O ATOM 548 CB VAL A 35 -2.465 5.454 2.010 1.00 0.00 C ATOM 549 CG1 VAL A 35 -2.094 4.666 0.753 1.00 0.00 C ATOM 550 CG2 VAL A 35 -2.531 6.946 1.674 1.00 0.00 C ATOM 0 H VAL A 35 -3.489 5.953 4.396 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.572 5.102 1.736 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.711 5.286 2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.123 5.000 0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.047 3.603 0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.848 4.833 -0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.560 7.280 1.308 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.286 7.113 0.906 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.794 7.509 2.569 1.00 0.00 H new ATOM 560 N PHE A 36 -4.399 2.650 2.210 1.00 0.00 N ATOM 561 CA PHE A 36 -4.341 1.200 2.548 1.00 0.00 C ATOM 562 C PHE A 36 -3.651 0.440 1.413 1.00 0.00 C ATOM 563 O PHE A 36 -3.824 0.749 0.251 1.00 0.00 O ATOM 564 CB PHE A 36 -5.760 0.662 2.734 1.00 0.00 C ATOM 565 CG PHE A 36 -6.319 1.158 4.045 1.00 0.00 C ATOM 566 CD1 PHE A 36 -6.116 0.420 5.217 1.00 0.00 C ATOM 567 CD2 PHE A 36 -7.040 2.358 4.089 1.00 0.00 C ATOM 568 CE1 PHE A 36 -6.635 0.881 6.433 1.00 0.00 C ATOM 569 CE2 PHE A 36 -7.558 2.819 5.306 1.00 0.00 C ATOM 570 CZ PHE A 36 -7.355 2.081 6.478 1.00 0.00 C ATOM 0 H PHE A 36 -4.973 2.884 1.400 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.778 1.064 3.471 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.395 0.987 1.910 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.752 -0.428 2.719 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.559 -0.505 5.183 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.196 2.928 3.185 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.480 0.311 7.337 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -8.114 3.744 5.340 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.754 2.437 7.417 1.00 0.00 H new ATOM 580 N TYR A 37 -2.870 -0.553 1.741 1.00 0.00 N ATOM 581 CA TYR A 37 -2.161 -1.324 0.682 1.00 0.00 C ATOM 582 C TYR A 37 -2.743 -2.737 0.604 1.00 0.00 C ATOM 583 O TYR A 37 -3.091 -3.331 1.605 1.00 0.00 O ATOM 584 CB TYR A 37 -0.670 -1.404 1.018 1.00 0.00 C ATOM 585 CG TYR A 37 -0.131 -0.012 1.246 1.00 0.00 C ATOM 586 CD1 TYR A 37 -0.220 0.575 2.515 1.00 0.00 C ATOM 587 CD2 TYR A 37 0.456 0.693 0.189 1.00 0.00 C ATOM 588 CE1 TYR A 37 0.280 1.865 2.727 1.00 0.00 C ATOM 589 CE2 TYR A 37 0.956 1.984 0.400 1.00 0.00 C ATOM 590 CZ TYR A 37 0.868 2.570 1.668 1.00 0.00 C ATOM 591 OH TYR A 37 1.361 3.841 1.876 1.00 0.00 O ATOM 0 H TYR A 37 -2.693 -0.863 2.696 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.290 -0.824 -0.278 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.519 -2.015 1.908 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.128 -1.887 0.205 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.675 0.032 3.330 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.523 0.241 -0.790 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.213 2.317 3.706 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.410 2.527 -0.416 1.00 0.00 H new ATOM 0 HH TYR A 37 1.666 3.926 2.803 1.00 0.00 H new ATOM 601 N TYR A 38 -2.852 -3.280 -0.578 1.00 0.00 N ATOM 602 CA TYR A 38 -3.407 -4.655 -0.717 1.00 0.00 C ATOM 603 C TYR A 38 -2.345 -5.574 -1.325 1.00 0.00 C ATOM 604 O TYR A 38 -1.669 -5.220 -2.270 1.00 0.00 O ATOM 605 CB TYR A 38 -4.634 -4.619 -1.630 1.00 0.00 C ATOM 606 CG TYR A 38 -5.764 -3.908 -0.927 1.00 0.00 C ATOM 607 CD1 TYR A 38 -5.675 -2.535 -0.670 1.00 0.00 C ATOM 608 CD2 TYR A 38 -6.902 -4.622 -0.530 1.00 0.00 C ATOM 609 CE1 TYR A 38 -6.723 -1.874 -0.018 1.00 0.00 C ATOM 610 CE2 TYR A 38 -7.951 -3.961 0.122 1.00 0.00 C ATOM 611 CZ TYR A 38 -7.861 -2.588 0.379 1.00 0.00 C ATOM 612 OH TYR A 38 -8.893 -1.938 1.022 1.00 0.00 O ATOM 0 H TYR A 38 -2.581 -2.831 -1.453 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.695 -5.032 0.264 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.392 -4.108 -2.562 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.935 -5.633 -1.892 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.797 -1.985 -0.975 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.971 -5.682 -0.727 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.654 -0.814 0.179 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.829 -4.511 0.426 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.930 -1.006 0.721 1.00 0.00 H new ATOM 622 N SER A 39 -2.194 -6.756 -0.789 1.00 0.00 N ATOM 623 CA SER A 39 -1.183 -7.700 -1.343 1.00 0.00 C ATOM 624 C SER A 39 -1.854 -8.629 -2.356 1.00 0.00 C ATOM 625 O SER A 39 -3.050 -8.574 -2.565 1.00 0.00 O ATOM 626 CB SER A 39 -0.587 -8.532 -0.206 1.00 0.00 C ATOM 627 OG SER A 39 -1.063 -9.867 -0.302 1.00 0.00 O ATOM 0 H SER A 39 -2.726 -7.107 0.007 1.00 0.00 H new ATOM 0 HA SER A 39 -0.391 -7.136 -1.836 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.502 -8.517 -0.261 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.864 -8.103 0.757 1.00 0.00 H new ATOM 0 HG SER A 39 -0.682 -10.403 0.424 1.00 0.00 H new ATOM 633 N PRO A 40 -1.084 -9.477 -2.979 1.00 0.00 N ATOM 634 CA PRO A 40 -1.597 -10.445 -3.990 1.00 0.00 C ATOM 635 C PRO A 40 -2.722 -11.322 -3.434 1.00 0.00 C ATOM 636 O PRO A 40 -3.598 -11.757 -4.155 1.00 0.00 O ATOM 637 CB PRO A 40 -0.375 -11.299 -4.334 1.00 0.00 C ATOM 638 CG PRO A 40 0.809 -10.466 -3.967 1.00 0.00 C ATOM 639 CD PRO A 40 0.369 -9.605 -2.785 1.00 0.00 C ATOM 0 HA PRO A 40 -2.028 -9.936 -4.852 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.383 -12.237 -3.779 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.361 -11.556 -5.393 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.659 -11.093 -3.698 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.124 -9.845 -4.806 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.607 -10.078 -1.832 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.862 -8.633 -2.790 1.00 0.00 H new ATOM 647 N SER A 41 -2.705 -11.587 -2.156 1.00 0.00 N ATOM 648 CA SER A 41 -3.765 -12.446 -1.558 1.00 0.00 C ATOM 649 C SER A 41 -4.922 -11.570 -1.076 1.00 0.00 C ATOM 650 O SER A 41 -5.923 -12.057 -0.590 1.00 0.00 O ATOM 651 CB SER A 41 -3.185 -13.220 -0.374 1.00 0.00 C ATOM 652 OG SER A 41 -2.136 -14.063 -0.832 1.00 0.00 O ATOM 0 H SER A 41 -2.002 -11.245 -1.500 1.00 0.00 H new ATOM 0 HA SER A 41 -4.130 -13.147 -2.308 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.808 -12.527 0.378 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.964 -13.815 0.103 1.00 0.00 H new ATOM 0 HG SER A 41 -1.761 -14.559 -0.075 1.00 0.00 H new ATOM 658 N GLY A 42 -4.795 -10.277 -1.208 1.00 0.00 N ATOM 659 CA GLY A 42 -5.891 -9.371 -0.762 1.00 0.00 C ATOM 660 C GLY A 42 -5.695 -9.018 0.713 1.00 0.00 C ATOM 661 O GLY A 42 -6.625 -8.641 1.399 1.00 0.00 O ATOM 0 H GLY A 42 -3.980 -9.810 -1.605 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.895 -8.464 -1.366 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.857 -9.854 -0.906 1.00 0.00 H new ATOM 665 N LYS A 43 -4.494 -9.137 1.207 1.00 0.00 N ATOM 666 CA LYS A 43 -4.240 -8.809 2.638 1.00 0.00 C ATOM 667 C LYS A 43 -4.237 -7.289 2.819 1.00 0.00 C ATOM 668 O LYS A 43 -3.563 -6.571 2.109 1.00 0.00 O ATOM 669 CB LYS A 43 -2.883 -9.375 3.060 1.00 0.00 C ATOM 670 CG LYS A 43 -2.589 -8.974 4.507 1.00 0.00 C ATOM 671 CD LYS A 43 -1.203 -9.483 4.905 1.00 0.00 C ATOM 672 CE LYS A 43 -0.785 -8.842 6.230 1.00 0.00 C ATOM 673 NZ LYS A 43 -1.440 -9.561 7.358 1.00 0.00 N ATOM 0 H LYS A 43 -3.677 -9.447 0.681 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.024 -9.248 3.255 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.885 -10.461 2.966 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.100 -8.999 2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.634 -7.890 4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.346 -9.390 5.172 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.217 -10.569 5.002 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.478 -9.242 4.127 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.299 -8.882 6.340 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.068 -7.789 6.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.156 -9.126 8.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.473 -9.501 7.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.149 -10.559 7.349 1.00 0.00 H new ATOM 687 N LYS A 44 -4.988 -6.794 3.765 1.00 0.00 N ATOM 688 CA LYS A 44 -5.015 -5.322 4.000 1.00 0.00 C ATOM 689 C LYS A 44 -4.007 -4.960 5.091 1.00 0.00 C ATOM 690 O LYS A 44 -4.089 -5.435 6.208 1.00 0.00 O ATOM 691 CB LYS A 44 -6.419 -4.903 4.444 1.00 0.00 C ATOM 692 CG LYS A 44 -7.395 -5.075 3.278 1.00 0.00 C ATOM 693 CD LYS A 44 -8.805 -4.698 3.733 1.00 0.00 C ATOM 694 CE LYS A 44 -8.900 -3.179 3.895 1.00 0.00 C ATOM 695 NZ LYS A 44 -10.329 -2.759 3.822 1.00 0.00 N ATOM 0 H LYS A 44 -5.583 -7.344 4.384 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.754 -4.802 3.078 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.739 -5.508 5.293 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.412 -3.865 4.777 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.092 -4.447 2.440 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.379 -6.106 2.925 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.538 -5.043 3.004 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.038 -5.190 4.677 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.470 -2.877 4.850 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.324 -2.683 3.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.394 -1.727 3.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.725 -3.034 2.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.866 -3.222 4.582 1.00 0.00 H new ATOM 709 N PHE A 45 -3.056 -4.122 4.781 1.00 0.00 N ATOM 710 CA PHE A 45 -2.045 -3.728 5.803 1.00 0.00 C ATOM 711 C PHE A 45 -1.712 -2.244 5.642 1.00 0.00 C ATOM 712 O PHE A 45 -1.783 -1.696 4.561 1.00 0.00 O ATOM 713 CB PHE A 45 -0.776 -4.560 5.613 1.00 0.00 C ATOM 714 CG PHE A 45 -0.433 -4.628 4.144 1.00 0.00 C ATOM 715 CD1 PHE A 45 -1.220 -5.395 3.276 1.00 0.00 C ATOM 716 CD2 PHE A 45 0.671 -3.923 3.649 1.00 0.00 C ATOM 717 CE1 PHE A 45 -0.902 -5.457 1.914 1.00 0.00 C ATOM 718 CE2 PHE A 45 0.988 -3.985 2.288 1.00 0.00 C ATOM 719 CZ PHE A 45 0.203 -4.753 1.419 1.00 0.00 C ATOM 0 H PHE A 45 -2.935 -3.693 3.864 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.447 -3.905 6.800 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.049 -4.116 6.170 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.924 -5.564 6.010 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.072 -5.938 3.657 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.278 -3.331 4.318 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.509 -6.048 1.244 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.839 -3.440 1.907 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.449 -4.802 0.369 1.00 0.00 H new ATOM 729 N ARG A 46 -1.350 -1.590 6.712 1.00 0.00 N ATOM 730 CA ARG A 46 -0.995 -0.144 6.616 1.00 0.00 C ATOM 731 C ARG A 46 0.164 0.160 7.566 1.00 0.00 C ATOM 732 O ARG A 46 0.004 0.846 8.557 1.00 0.00 O ATOM 733 CB ARG A 46 -2.208 0.704 7.002 1.00 0.00 C ATOM 734 CG ARG A 46 -2.912 0.074 8.206 1.00 0.00 C ATOM 735 CD ARG A 46 -3.879 1.087 8.821 1.00 0.00 C ATOM 736 NE ARG A 46 -3.109 2.241 9.363 1.00 0.00 N ATOM 737 CZ ARG A 46 -3.735 3.319 9.749 1.00 0.00 C ATOM 738 NH1 ARG A 46 -5.036 3.386 9.658 1.00 0.00 N ATOM 739 NH2 ARG A 46 -3.061 4.331 10.224 1.00 0.00 N ATOM 0 H ARG A 46 -1.285 -1.993 7.647 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.698 0.091 5.594 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.893 1.719 7.242 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.897 0.775 6.161 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.454 -0.820 7.897 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.177 -0.239 8.947 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.589 1.431 8.069 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.458 0.617 9.616 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.093 2.189 9.432 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.563 2.596 9.285 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.526 4.228 9.960 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.045 4.279 10.294 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.551 5.173 10.526 1.00 0.00 H new ATOM 753 N SER A 47 1.332 -0.343 7.274 1.00 0.00 N ATOM 754 CA SER A 47 2.501 -0.078 8.159 1.00 0.00 C ATOM 755 C SER A 47 3.778 -0.036 7.317 1.00 0.00 C ATOM 756 O SER A 47 4.047 -0.926 6.534 1.00 0.00 O ATOM 757 CB SER A 47 2.614 -1.190 9.201 1.00 0.00 C ATOM 758 OG SER A 47 1.316 -1.682 9.508 1.00 0.00 O ATOM 0 H SER A 47 1.527 -0.926 6.460 1.00 0.00 H new ATOM 0 HA SER A 47 2.366 0.879 8.663 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.241 -1.997 8.821 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.094 -0.811 10.103 1.00 0.00 H new ATOM 0 HG SER A 47 1.386 -2.396 10.175 1.00 0.00 H new ATOM 764 N LYS A 48 4.569 0.992 7.471 1.00 0.00 N ATOM 765 CA LYS A 48 5.818 1.096 6.669 1.00 0.00 C ATOM 766 C LYS A 48 6.728 -0.093 6.986 1.00 0.00 C ATOM 767 O LYS A 48 7.317 -0.688 6.105 1.00 0.00 O ATOM 768 CB LYS A 48 6.542 2.398 7.019 1.00 0.00 C ATOM 769 CG LYS A 48 7.120 3.020 5.748 1.00 0.00 C ATOM 770 CD LYS A 48 8.219 2.113 5.189 1.00 0.00 C ATOM 771 CE LYS A 48 9.284 2.968 4.499 1.00 0.00 C ATOM 772 NZ LYS A 48 8.638 4.155 3.870 1.00 0.00 N ATOM 0 H LYS A 48 4.403 1.763 8.118 1.00 0.00 H new ATOM 0 HA LYS A 48 5.569 1.092 5.608 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.851 3.094 7.495 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.340 2.201 7.735 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.333 3.155 5.006 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.525 4.008 5.966 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.669 1.531 5.993 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.793 1.402 4.481 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.033 3.289 5.223 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.804 2.380 3.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.161 4.420 3.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.655 3.924 3.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.646 4.950 4.540 1.00 0.00 H new ATOM 786 N PRO A 49 6.839 -0.432 8.241 1.00 0.00 N ATOM 787 CA PRO A 49 7.685 -1.570 8.699 1.00 0.00 C ATOM 788 C PRO A 49 7.273 -2.897 8.051 1.00 0.00 C ATOM 789 O PRO A 49 8.103 -3.702 7.679 1.00 0.00 O ATOM 790 CB PRO A 49 7.448 -1.618 10.210 1.00 0.00 C ATOM 791 CG PRO A 49 6.947 -0.260 10.577 1.00 0.00 C ATOM 792 CD PRO A 49 6.164 0.237 9.363 1.00 0.00 C ATOM 0 HA PRO A 49 8.731 -1.429 8.427 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.721 -2.388 10.469 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.368 -1.855 10.745 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.311 -0.304 11.461 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.773 0.411 10.811 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.111 -0.037 9.422 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.207 1.322 9.271 1.00 0.00 H new ATOM 800 N GLN A 50 5.995 -3.128 7.914 1.00 0.00 N ATOM 801 CA GLN A 50 5.533 -4.399 7.290 1.00 0.00 C ATOM 802 C GLN A 50 5.960 -4.432 5.821 1.00 0.00 C ATOM 803 O GLN A 50 6.352 -5.458 5.302 1.00 0.00 O ATOM 804 CB GLN A 50 4.007 -4.484 7.378 1.00 0.00 C ATOM 805 CG GLN A 50 3.534 -5.806 6.771 1.00 0.00 C ATOM 806 CD GLN A 50 2.021 -5.940 6.955 1.00 0.00 C ATOM 807 OE1 GLN A 50 1.362 -6.804 6.233 1.00 0.00 O flip ATOM 808 NE2 GLN A 50 1.433 -5.253 7.768 1.00 0.00 N flip ATOM 0 H GLN A 50 5.253 -2.492 8.207 1.00 0.00 H new ATOM 0 HA GLN A 50 5.977 -5.244 7.816 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.688 -4.414 8.418 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.554 -3.646 6.848 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.787 -5.843 5.711 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.045 -6.642 7.250 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.948 -4.577 8.333 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.425 -5.352 7.885 1.00 0.00 H new ATOM 817 N LEU A 51 5.890 -3.317 5.147 1.00 0.00 N ATOM 818 CA LEU A 51 6.285 -3.288 3.711 1.00 0.00 C ATOM 819 C LEU A 51 7.782 -3.581 3.588 1.00 0.00 C ATOM 820 O LEU A 51 8.204 -4.363 2.758 1.00 0.00 O ATOM 821 CB LEU A 51 5.985 -1.905 3.128 1.00 0.00 C ATOM 822 CG LEU A 51 4.575 -1.892 2.541 1.00 0.00 C ATOM 823 CD1 LEU A 51 3.571 -2.322 3.612 1.00 0.00 C ATOM 824 CD2 LEU A 51 4.234 -0.478 2.065 1.00 0.00 C ATOM 0 H LEU A 51 5.576 -2.425 5.529 1.00 0.00 H new ATOM 0 HA LEU A 51 5.721 -4.043 3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.074 -1.145 3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.714 -1.659 2.356 1.00 0.00 H new ATOM 0 HG LEU A 51 4.527 -2.583 1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.565 -2.312 3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.812 -3.329 3.954 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.619 -1.632 4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.228 -0.468 1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.283 0.211 2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.948 -0.169 1.302 1.00 0.00 H new ATOM 836 N ALA A 52 8.586 -2.961 4.406 1.00 0.00 N ATOM 837 CA ALA A 52 10.056 -3.195 4.325 1.00 0.00 C ATOM 838 C ALA A 52 10.382 -4.589 4.864 1.00 0.00 C ATOM 839 O ALA A 52 11.104 -5.349 4.252 1.00 0.00 O ATOM 840 CB ALA A 52 10.786 -2.142 5.160 1.00 0.00 C ATOM 0 H ALA A 52 8.290 -2.303 5.127 1.00 0.00 H new ATOM 0 HA ALA A 52 10.378 -3.123 3.286 1.00 0.00 H new ATOM 0 HB1 ALA A 52 11.861 -2.312 5.101 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.555 -1.149 4.776 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.463 -2.214 6.199 1.00 0.00 H new ATOM 846 N ARG A 53 9.855 -4.931 6.009 1.00 0.00 N ATOM 847 CA ARG A 53 10.145 -6.270 6.593 1.00 0.00 C ATOM 848 C ARG A 53 9.697 -7.361 5.616 1.00 0.00 C ATOM 849 O ARG A 53 10.290 -8.419 5.539 1.00 0.00 O ATOM 850 CB ARG A 53 9.389 -6.426 7.913 1.00 0.00 C ATOM 851 CG ARG A 53 10.022 -5.523 8.974 1.00 0.00 C ATOM 852 CD ARG A 53 9.211 -5.610 10.268 1.00 0.00 C ATOM 853 NE ARG A 53 9.264 -7.002 10.795 1.00 0.00 N ATOM 854 CZ ARG A 53 8.364 -7.413 11.647 1.00 0.00 C ATOM 855 NH1 ARG A 53 7.419 -6.602 12.038 1.00 0.00 N ATOM 856 NH2 ARG A 53 8.409 -8.632 12.109 1.00 0.00 N ATOM 0 H ARG A 53 9.236 -4.340 6.564 1.00 0.00 H new ATOM 0 HA ARG A 53 11.216 -6.362 6.775 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.340 -6.164 7.776 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.418 -7.465 8.240 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.053 -5.827 9.157 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.051 -4.493 8.619 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.609 -4.915 11.007 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.177 -5.319 10.082 1.00 0.00 H new ATOM 0 HE ARG A 53 10.004 -7.635 10.490 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.384 -5.648 11.678 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.715 -6.922 12.704 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.148 -9.266 11.805 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.705 -8.951 12.775 1.00 0.00 H new ATOM 870 N TYR A 54 8.656 -7.112 4.871 1.00 0.00 N ATOM 871 CA TYR A 54 8.153 -8.146 3.925 1.00 0.00 C ATOM 872 C TYR A 54 8.915 -8.040 2.602 1.00 0.00 C ATOM 873 O TYR A 54 9.490 -8.999 2.127 1.00 0.00 O ATOM 874 CB TYR A 54 6.660 -7.927 3.674 1.00 0.00 C ATOM 875 CG TYR A 54 6.056 -9.183 3.094 1.00 0.00 C ATOM 876 CD1 TYR A 54 5.874 -10.310 3.904 1.00 0.00 C ATOM 877 CD2 TYR A 54 5.677 -9.220 1.747 1.00 0.00 C ATOM 878 CE1 TYR A 54 5.314 -11.475 3.366 1.00 0.00 C ATOM 879 CE2 TYR A 54 5.117 -10.385 1.209 1.00 0.00 C ATOM 880 CZ TYR A 54 4.936 -11.513 2.019 1.00 0.00 C ATOM 881 OH TYR A 54 4.384 -12.661 1.488 1.00 0.00 O ATOM 0 H TYR A 54 8.132 -6.237 4.877 1.00 0.00 H new ATOM 0 HA TYR A 54 8.306 -9.136 4.354 1.00 0.00 H new ATOM 0 HB2 TYR A 54 6.158 -7.667 4.606 1.00 0.00 H new ATOM 0 HB3 TYR A 54 6.514 -7.091 2.989 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.165 -10.281 4.944 1.00 0.00 H new ATOM 0 HD2 TYR A 54 5.817 -8.350 1.123 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.174 -12.345 3.991 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.825 -10.414 0.170 1.00 0.00 H new ATOM 0 HH TYR A 54 4.178 -12.517 0.541 1.00 0.00 H new ATOM 891 N LEU A 55 8.920 -6.881 2.001 1.00 0.00 N ATOM 892 CA LEU A 55 9.611 -6.725 0.690 1.00 0.00 C ATOM 893 C LEU A 55 11.040 -6.229 0.924 1.00 0.00 C ATOM 894 O LEU A 55 11.761 -5.923 -0.006 1.00 0.00 O ATOM 895 CB LEU A 55 8.853 -5.709 -0.168 1.00 0.00 C ATOM 896 CG LEU A 55 7.446 -6.236 -0.455 1.00 0.00 C ATOM 897 CD1 LEU A 55 6.636 -5.158 -1.181 1.00 0.00 C ATOM 898 CD2 LEU A 55 7.537 -7.483 -1.336 1.00 0.00 C ATOM 0 H LEU A 55 8.476 -6.036 2.361 1.00 0.00 H new ATOM 0 HA LEU A 55 9.639 -7.686 0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.796 -4.751 0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.386 -5.536 -1.103 1.00 0.00 H new ATOM 0 HG LEU A 55 6.955 -6.490 0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.633 -5.533 -1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.570 -4.269 -0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.128 -4.904 -2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.534 -7.858 -1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.028 -7.230 -2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.114 -8.251 -0.821 1.00 0.00 H new ATOM 910 N GLY A 56 11.456 -6.148 2.157 1.00 0.00 N ATOM 911 CA GLY A 56 12.836 -5.663 2.449 1.00 0.00 C ATOM 912 C GLY A 56 13.827 -6.346 1.505 1.00 0.00 C ATOM 913 O GLY A 56 14.355 -5.737 0.596 1.00 0.00 O ATOM 0 H GLY A 56 10.901 -6.396 2.976 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.886 -4.581 2.326 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.097 -5.878 3.485 1.00 0.00 H new ATOM 917 N GLY A 57 14.085 -7.609 1.713 1.00 0.00 N ATOM 918 CA GLY A 57 15.059 -8.324 0.840 1.00 0.00 C ATOM 919 C GLY A 57 14.607 -8.225 -0.618 1.00 0.00 C ATOM 920 O GLY A 57 15.398 -7.978 -1.507 1.00 0.00 O ATOM 0 H GLY A 57 13.664 -8.176 2.449 1.00 0.00 H new ATOM 0 HA2 GLY A 57 16.052 -7.890 0.954 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.132 -9.370 1.139 1.00 0.00 H new ATOM 924 N SER A 58 13.341 -8.416 -0.872 1.00 0.00 N ATOM 925 CA SER A 58 12.843 -8.347 -2.274 1.00 0.00 C ATOM 926 C SER A 58 13.170 -6.972 -2.864 1.00 0.00 C ATOM 927 O SER A 58 13.453 -6.843 -4.039 1.00 0.00 O ATOM 928 CB SER A 58 11.329 -8.561 -2.289 1.00 0.00 C ATOM 929 OG SER A 58 10.685 -7.393 -1.798 1.00 0.00 O ATOM 0 H SER A 58 12.630 -8.617 -0.168 1.00 0.00 H new ATOM 0 HA SER A 58 13.325 -9.122 -2.869 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.991 -8.778 -3.302 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.066 -9.421 -1.674 1.00 0.00 H new ATOM 0 HG SER A 58 11.325 -6.859 -1.282 1.00 0.00 H new ATOM 935 N MET A 59 13.131 -5.946 -2.059 1.00 0.00 N ATOM 936 CA MET A 59 13.431 -4.582 -2.577 1.00 0.00 C ATOM 937 C MET A 59 13.549 -3.606 -1.405 1.00 0.00 C ATOM 938 O MET A 59 13.111 -3.885 -0.306 1.00 0.00 O ATOM 939 CB MET A 59 12.302 -4.129 -3.506 1.00 0.00 C ATOM 940 CG MET A 59 12.834 -4.011 -4.936 1.00 0.00 C ATOM 941 SD MET A 59 13.789 -2.483 -5.101 1.00 0.00 S ATOM 942 CE MET A 59 12.396 -1.333 -5.008 1.00 0.00 C ATOM 0 H MET A 59 12.904 -5.993 -1.066 1.00 0.00 H new ATOM 0 HA MET A 59 14.370 -4.602 -3.130 1.00 0.00 H new ATOM 0 HB2 MET A 59 11.479 -4.843 -3.471 1.00 0.00 H new ATOM 0 HB3 MET A 59 11.906 -3.169 -3.174 1.00 0.00 H new ATOM 0 HG2 MET A 59 13.460 -4.871 -5.175 1.00 0.00 H new ATOM 0 HG3 MET A 59 12.006 -4.013 -5.645 1.00 0.00 H new ATOM 0 HE1 MET A 59 12.593 -0.470 -5.644 1.00 0.00 H new ATOM 0 HE2 MET A 59 11.488 -1.833 -5.346 1.00 0.00 H new ATOM 0 HE3 MET A 59 12.266 -1.002 -3.978 1.00 0.00 H new ATOM 952 N ASP A 60 14.136 -2.463 -1.629 1.00 0.00 N ATOM 953 CA ASP A 60 14.279 -1.469 -0.527 1.00 0.00 C ATOM 954 C ASP A 60 13.127 -0.464 -0.593 1.00 0.00 C ATOM 955 O ASP A 60 13.009 0.297 -1.534 1.00 0.00 O ATOM 956 CB ASP A 60 15.611 -0.731 -0.675 1.00 0.00 C ATOM 957 CG ASP A 60 15.870 0.110 0.576 1.00 0.00 C ATOM 958 OD1 ASP A 60 14.937 0.309 1.336 1.00 0.00 O ATOM 959 OD2 ASP A 60 16.998 0.540 0.753 1.00 0.00 O ATOM 0 H ASP A 60 14.523 -2.174 -2.527 1.00 0.00 H new ATOM 0 HA ASP A 60 14.255 -1.985 0.433 1.00 0.00 H new ATOM 0 HB2 ASP A 60 16.421 -1.446 -0.820 1.00 0.00 H new ATOM 0 HB3 ASP A 60 15.589 -0.092 -1.558 1.00 0.00 H new ATOM 964 N LEU A 61 12.278 -0.454 0.396 1.00 0.00 N ATOM 965 CA LEU A 61 11.124 0.488 0.378 1.00 0.00 C ATOM 966 C LEU A 61 11.368 1.614 1.385 1.00 0.00 C ATOM 967 O LEU A 61 10.534 2.473 1.585 1.00 0.00 O ATOM 968 CB LEU A 61 9.846 -0.265 0.755 1.00 0.00 C ATOM 969 CG LEU A 61 9.548 -1.329 -0.302 1.00 0.00 C ATOM 970 CD1 LEU A 61 8.318 -2.136 0.118 1.00 0.00 C ATOM 971 CD2 LEU A 61 9.274 -0.648 -1.645 1.00 0.00 C ATOM 0 H LEU A 61 12.333 -1.057 1.216 1.00 0.00 H new ATOM 0 HA LEU A 61 11.016 0.911 -0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.962 -0.732 1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.011 0.431 0.831 1.00 0.00 H new ATOM 0 HG LEU A 61 10.405 -1.996 -0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.106 -2.894 -0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.510 -2.620 1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.461 -1.470 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.061 -1.405 -2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.417 0.018 -1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.149 -0.071 -1.946 1.00 0.00 H new ATOM 983 N SER A 62 12.508 1.616 2.020 1.00 0.00 N ATOM 984 CA SER A 62 12.803 2.684 3.018 1.00 0.00 C ATOM 985 C SER A 62 12.583 4.056 2.375 1.00 0.00 C ATOM 986 O SER A 62 12.117 4.981 3.009 1.00 0.00 O ATOM 987 CB SER A 62 14.255 2.564 3.478 1.00 0.00 C ATOM 988 OG SER A 62 15.117 2.694 2.355 1.00 0.00 O ATOM 0 H SER A 62 13.247 0.925 1.891 1.00 0.00 H new ATOM 0 HA SER A 62 12.140 2.574 3.876 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.480 3.335 4.215 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.416 1.602 3.965 1.00 0.00 H new ATOM 0 HG SER A 62 14.870 2.033 1.675 1.00 0.00 H new ATOM 994 N THR A 63 12.916 4.194 1.122 1.00 0.00 N ATOM 995 CA THR A 63 12.724 5.504 0.439 1.00 0.00 C ATOM 996 C THR A 63 11.264 5.641 0.000 1.00 0.00 C ATOM 997 O THR A 63 10.923 6.495 -0.797 1.00 0.00 O ATOM 998 CB THR A 63 13.635 5.580 -0.788 1.00 0.00 C ATOM 999 OG1 THR A 63 13.371 4.474 -1.640 1.00 0.00 O ATOM 1000 CG2 THR A 63 15.098 5.545 -0.342 1.00 0.00 C ATOM 0 H THR A 63 13.313 3.456 0.541 1.00 0.00 H new ATOM 0 HA THR A 63 12.974 6.312 1.127 1.00 0.00 H new ATOM 0 HB THR A 63 13.444 6.508 -1.327 1.00 0.00 H new ATOM 0 HG1 THR A 63 13.952 4.522 -2.428 1.00 0.00 H new ATOM 0 HG21 THR A 63 15.746 5.599 -1.217 1.00 0.00 H new ATOM 0 HG22 THR A 63 15.299 6.393 0.312 1.00 0.00 H new ATOM 0 HG23 THR A 63 15.292 4.617 0.197 1.00 0.00 H new ATOM 1008 N PHE A 64 10.400 4.809 0.511 1.00 0.00 N ATOM 1009 CA PHE A 64 8.965 4.892 0.121 1.00 0.00 C ATOM 1010 C PHE A 64 8.239 5.864 1.056 1.00 0.00 C ATOM 1011 O PHE A 64 8.386 5.808 2.260 1.00 0.00 O ATOM 1012 CB PHE A 64 8.324 3.507 0.229 1.00 0.00 C ATOM 1013 CG PHE A 64 6.957 3.532 -0.412 1.00 0.00 C ATOM 1014 CD1 PHE A 64 6.839 3.674 -1.799 1.00 0.00 C ATOM 1015 CD2 PHE A 64 5.810 3.411 0.380 1.00 0.00 C ATOM 1016 CE1 PHE A 64 5.571 3.697 -2.394 1.00 0.00 C ATOM 1017 CE2 PHE A 64 4.543 3.434 -0.214 1.00 0.00 C ATOM 1018 CZ PHE A 64 4.424 3.577 -1.602 1.00 0.00 C ATOM 0 H PHE A 64 10.626 4.075 1.182 1.00 0.00 H new ATOM 0 HA PHE A 64 8.888 5.248 -0.906 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.953 2.764 -0.261 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.241 3.214 1.276 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.725 3.766 -2.410 1.00 0.00 H new ATOM 0 HD2 PHE A 64 5.902 3.300 1.450 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.479 3.807 -3.464 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.658 3.342 0.398 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.447 3.595 -2.061 1.00 0.00 H new ATOM 1028 N ASP A 65 7.456 6.754 0.509 1.00 0.00 N ATOM 1029 CA ASP A 65 6.727 7.731 1.365 1.00 0.00 C ATOM 1030 C ASP A 65 5.449 7.084 1.903 1.00 0.00 C ATOM 1031 O ASP A 65 4.542 6.767 1.160 1.00 0.00 O ATOM 1032 CB ASP A 65 6.364 8.965 0.538 1.00 0.00 C ATOM 1033 CG ASP A 65 5.678 9.998 1.432 1.00 0.00 C ATOM 1034 OD1 ASP A 65 5.305 9.641 2.539 1.00 0.00 O ATOM 1035 OD2 ASP A 65 5.535 11.128 0.997 1.00 0.00 O ATOM 0 H ASP A 65 7.290 6.846 -0.493 1.00 0.00 H new ATOM 0 HA ASP A 65 7.363 8.028 2.199 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.262 9.394 0.093 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.704 8.684 -0.283 1.00 0.00 H new ATOM 1040 N PHE A 66 5.371 6.884 3.190 1.00 0.00 N ATOM 1041 CA PHE A 66 4.159 6.238 3.772 1.00 0.00 C ATOM 1042 C PHE A 66 3.004 7.242 3.789 1.00 0.00 C ATOM 1043 O PHE A 66 1.888 6.924 3.430 1.00 0.00 O ATOM 1044 CB PHE A 66 4.460 5.783 5.200 1.00 0.00 C ATOM 1045 CG PHE A 66 3.310 4.955 5.719 1.00 0.00 C ATOM 1046 CD1 PHE A 66 3.122 3.648 5.253 1.00 0.00 C ATOM 1047 CD2 PHE A 66 2.428 5.495 6.663 1.00 0.00 C ATOM 1048 CE1 PHE A 66 2.054 2.880 5.733 1.00 0.00 C ATOM 1049 CE2 PHE A 66 1.361 4.727 7.144 1.00 0.00 C ATOM 1050 CZ PHE A 66 1.173 3.419 6.679 1.00 0.00 C ATOM 0 H PHE A 66 6.093 7.139 3.864 1.00 0.00 H new ATOM 0 HA PHE A 66 3.881 5.375 3.167 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.380 5.199 5.220 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.618 6.649 5.843 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.801 3.232 4.523 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.571 6.504 7.020 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.910 1.872 5.374 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.682 5.143 7.874 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.349 2.827 7.050 1.00 0.00 H new ATOM 1060 N ARG A 67 3.264 8.452 4.205 1.00 0.00 N ATOM 1061 CA ARG A 67 2.177 9.469 4.261 1.00 0.00 C ATOM 1062 C ARG A 67 1.559 9.632 2.870 1.00 0.00 C ATOM 1063 O ARG A 67 0.353 9.654 2.715 1.00 0.00 O ATOM 1064 CB ARG A 67 2.755 10.810 4.721 1.00 0.00 C ATOM 1065 CG ARG A 67 1.621 11.718 5.199 1.00 0.00 C ATOM 1066 CD ARG A 67 1.143 12.592 4.037 1.00 0.00 C ATOM 1067 NE ARG A 67 0.055 13.492 4.509 1.00 0.00 N ATOM 1068 CZ ARG A 67 -1.184 13.080 4.502 1.00 0.00 C ATOM 1069 NH1 ARG A 67 -1.469 11.878 4.082 1.00 0.00 N ATOM 1070 NH2 ARG A 67 -2.137 13.870 4.916 1.00 0.00 N ATOM 0 H ARG A 67 4.181 8.779 4.508 1.00 0.00 H new ATOM 0 HA ARG A 67 1.411 9.143 4.964 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.472 10.652 5.526 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.295 11.285 3.902 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.795 11.117 5.580 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.965 12.345 6.022 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.973 13.181 3.645 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.783 11.966 3.221 1.00 0.00 H new ATOM 0 HE ARG A 67 0.278 14.431 4.838 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.724 11.261 3.759 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.437 11.556 4.076 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.914 14.809 5.245 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.105 13.548 4.910 1.00 0.00 H new ATOM 1084 N THR A 68 2.373 9.745 1.858 1.00 0.00 N ATOM 1085 CA THR A 68 1.830 9.910 0.479 1.00 0.00 C ATOM 1086 C THR A 68 1.745 8.543 -0.203 1.00 0.00 C ATOM 1087 O THR A 68 1.115 8.390 -1.230 1.00 0.00 O ATOM 1088 CB THR A 68 2.755 10.825 -0.327 1.00 0.00 C ATOM 1089 OG1 THR A 68 3.999 10.172 -0.538 1.00 0.00 O ATOM 1090 CG2 THR A 68 2.985 12.126 0.442 1.00 0.00 C ATOM 0 H THR A 68 3.391 9.730 1.925 1.00 0.00 H new ATOM 0 HA THR A 68 0.835 10.353 0.531 1.00 0.00 H new ATOM 0 HB THR A 68 2.295 11.050 -1.289 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.728 10.821 -0.450 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.644 12.777 -0.133 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.030 12.627 0.603 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.445 11.903 1.405 1.00 0.00 H new ATOM 1098 N GLY A 69 2.374 7.548 0.360 1.00 0.00 N ATOM 1099 CA GLY A 69 2.324 6.191 -0.253 1.00 0.00 C ATOM 1100 C GLY A 69 2.950 6.237 -1.648 1.00 0.00 C ATOM 1101 O GLY A 69 2.466 5.621 -2.577 1.00 0.00 O ATOM 0 H GLY A 69 2.921 7.616 1.218 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.859 5.477 0.374 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.292 5.847 -0.317 1.00 0.00 H new ATOM 1105 N LYS A 70 4.025 6.961 -1.802 1.00 0.00 N ATOM 1106 CA LYS A 70 4.679 7.047 -3.137 1.00 0.00 C ATOM 1107 C LYS A 70 6.197 6.956 -2.968 1.00 0.00 C ATOM 1108 O LYS A 70 6.732 7.242 -1.915 1.00 0.00 O ATOM 1109 CB LYS A 70 4.318 8.380 -3.796 1.00 0.00 C ATOM 1110 CG LYS A 70 2.822 8.402 -4.119 1.00 0.00 C ATOM 1111 CD LYS A 70 2.456 9.750 -4.743 1.00 0.00 C ATOM 1112 CE LYS A 70 0.953 9.786 -5.031 1.00 0.00 C ATOM 1113 NZ LYS A 70 0.644 8.887 -6.179 1.00 0.00 N ATOM 0 H LYS A 70 4.478 7.496 -1.061 1.00 0.00 H new ATOM 0 HA LYS A 70 4.334 6.226 -3.765 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.569 9.206 -3.131 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.900 8.516 -4.708 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.575 7.592 -4.806 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.240 8.239 -3.212 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.728 10.561 -4.068 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.018 9.901 -5.665 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.395 9.471 -4.149 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.640 10.805 -5.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.322 9.074 -6.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.320 9.063 -6.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.719 7.896 -5.873 1.00 0.00 H new ATOM 1127 N MET A 71 6.897 6.562 -3.997 1.00 0.00 N ATOM 1128 CA MET A 71 8.378 6.447 -3.891 1.00 0.00 C ATOM 1129 C MET A 71 9.015 7.814 -4.155 1.00 0.00 C ATOM 1130 O MET A 71 8.808 8.416 -5.191 1.00 0.00 O ATOM 1131 CB MET A 71 8.886 5.440 -4.925 1.00 0.00 C ATOM 1132 CG MET A 71 10.341 5.080 -4.615 1.00 0.00 C ATOM 1133 SD MET A 71 10.837 3.657 -5.617 1.00 0.00 S ATOM 1134 CE MET A 71 11.489 2.645 -4.265 1.00 0.00 C ATOM 0 H MET A 71 6.506 6.315 -4.906 1.00 0.00 H new ATOM 0 HA MET A 71 8.646 6.108 -2.891 1.00 0.00 H new ATOM 0 HB2 MET A 71 8.267 4.543 -4.909 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.810 5.862 -5.927 1.00 0.00 H new ATOM 0 HG2 MET A 71 10.990 5.930 -4.825 1.00 0.00 H new ATOM 0 HG3 MET A 71 10.452 4.849 -3.556 1.00 0.00 H new ATOM 0 HE1 MET A 71 11.575 1.610 -4.595 1.00 0.00 H new ATOM 0 HE2 MET A 71 12.472 3.016 -3.974 1.00 0.00 H new ATOM 0 HE3 MET A 71 10.813 2.699 -3.412 1.00 0.00 H new ATOM 1144 N LEU A 72 9.785 8.308 -3.226 1.00 0.00 N ATOM 1145 CA LEU A 72 10.432 9.636 -3.424 1.00 0.00 C ATOM 1146 C LEU A 72 11.828 9.439 -4.019 1.00 0.00 C ATOM 1147 CB LEU A 72 10.549 10.353 -2.077 1.00 0.00 C ATOM 1148 CG LEU A 72 11.099 11.763 -2.294 1.00 0.00 C ATOM 1149 CD1 LEU A 72 10.381 12.740 -1.361 1.00 0.00 C ATOM 1150 CD2 LEU A 72 12.599 11.778 -1.991 1.00 0.00 C ATOM 0 H LEU A 72 9.994 7.850 -2.339 1.00 0.00 H new ATOM 0 HA LEU A 72 9.828 10.237 -4.104 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.573 10.403 -1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.206 9.794 -1.411 1.00 0.00 H new ATOM 0 HG LEU A 72 10.934 12.061 -3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 72 10.773 13.745 -1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.313 12.730 -1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.545 12.442 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 72 12.991 12.783 -2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 72 12.764 11.479 -0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 72 13.111 11.082 -2.655 1.00 0.00 H new TER 1162 LEU A 72