USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 592 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 42 THR OG1 : rot -65:sc= 0.141 USER MOD Set 1.2: A 45 GLN : amide:sc= 0.298 K(o=0.44,f=-6.4!) USER MOD Set 2.1: A 22 GLN : amide:sc= -0.142 X(o=-0.51,f=-0.41) USER MOD Set 2.2: A 26 LYS NZ :NH3+ -115:sc= -0.369 (180deg=-1.97!) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0737 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -55:sc= 0.536 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -130:sc= -0.352 (180deg=-0.414) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0196 USER MOD Single : A 33 LYS NZ :NH3+ -123:sc= -0.0303 (180deg=-0.666) USER MOD Single : A 35 SER OG : rot -140:sc= -0.113 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -125:sc= 0.118 USER MOD Single : A 47 LYS NZ :NH3+ 165:sc=-0.00103 (180deg=-0.132) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -85:sc= 0.0098 USER MOD Single : A 52 GLN : amide:sc= -0.113 K(o=-0.11,f=-0.85) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.129) USER MOD Single : A 56 ASN : amide:sc= -1.22 K(o=-1.2,f=-6.3!) USER MOD Single : A 57 LYS NZ :NH3+ -118:sc= -1.84 (180deg=-5.11!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 26:sc= 0.0298 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.021) USER MOD Single : A 69 GLN : amide:sc= -0.0994 K(o=-0.099,f=-1.5!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.618 -11.670 -10.314 1.00 0.00 N ATOM 2 CA GLY A 1 -18.245 -10.529 -9.500 1.00 0.00 C ATOM 3 C GLY A 1 -18.884 -9.241 -9.979 1.00 0.00 C ATOM 4 O GLY A 1 -19.800 -9.263 -10.801 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.037 -12.405 -9.710 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.311 -11.374 -11.030 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.773 -12.050 -10.787 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.537 -10.713 -8.466 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.161 -10.419 -9.510 1.00 0.00 H new ATOM 8 N SER A 2 -18.402 -8.114 -9.464 1.00 0.00 N ATOM 9 CA SER A 2 -18.936 -6.811 -9.840 1.00 0.00 C ATOM 10 C SER A 2 -17.886 -5.986 -10.579 1.00 0.00 C ATOM 11 O SER A 2 -18.165 -5.399 -11.624 1.00 0.00 O ATOM 12 CB SER A 2 -19.414 -6.055 -8.600 1.00 0.00 C ATOM 13 OG SER A 2 -20.624 -6.601 -8.104 1.00 0.00 O ATOM 0 H SER A 2 -17.642 -8.078 -8.785 1.00 0.00 H new ATOM 0 HA SER A 2 -19.783 -6.972 -10.507 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.648 -6.098 -7.826 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.560 -5.003 -8.845 1.00 0.00 H new ATOM 0 HG SER A 2 -20.907 -6.101 -7.310 1.00 0.00 H new ATOM 19 N SER A 3 -16.677 -5.948 -10.028 1.00 0.00 N ATOM 20 CA SER A 3 -15.586 -5.192 -10.631 1.00 0.00 C ATOM 21 C SER A 3 -16.050 -3.798 -11.039 1.00 0.00 C ATOM 22 O SER A 3 -15.707 -3.306 -12.113 1.00 0.00 O ATOM 23 CB SER A 3 -15.036 -5.936 -11.850 1.00 0.00 C ATOM 24 OG SER A 3 -13.880 -5.294 -12.360 1.00 0.00 O ATOM 0 H SER A 3 -16.428 -6.432 -9.165 1.00 0.00 H new ATOM 0 HA SER A 3 -14.795 -5.089 -9.889 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.794 -6.963 -11.575 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.800 -5.985 -12.625 1.00 0.00 H new ATOM 0 HG SER A 3 -14.085 -4.355 -12.553 1.00 0.00 H new ATOM 30 N GLY A 4 -16.835 -3.165 -10.172 1.00 0.00 N ATOM 31 CA GLY A 4 -17.335 -1.833 -10.459 1.00 0.00 C ATOM 32 C GLY A 4 -17.653 -1.050 -9.201 1.00 0.00 C ATOM 33 O GLY A 4 -18.557 -1.411 -8.448 1.00 0.00 O ATOM 0 H GLY A 4 -17.133 -3.551 -9.276 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.594 -1.289 -11.045 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.233 -1.910 -11.072 1.00 0.00 H new ATOM 37 N SER A 5 -16.907 0.026 -8.971 1.00 0.00 N ATOM 38 CA SER A 5 -17.110 0.860 -7.792 1.00 0.00 C ATOM 39 C SER A 5 -17.349 2.313 -8.190 1.00 0.00 C ATOM 40 O SER A 5 -16.408 3.052 -8.480 1.00 0.00 O ATOM 41 CB SER A 5 -15.900 0.767 -6.861 1.00 0.00 C ATOM 42 OG SER A 5 -16.048 -0.297 -5.937 1.00 0.00 O ATOM 0 H SER A 5 -16.156 0.341 -9.586 1.00 0.00 H new ATOM 0 HA SER A 5 -17.992 0.495 -7.266 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.995 0.618 -7.450 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.779 1.707 -6.322 1.00 0.00 H new ATOM 0 HG SER A 5 -15.261 -0.336 -5.355 1.00 0.00 H new ATOM 48 N SER A 6 -18.616 2.716 -8.200 1.00 0.00 N ATOM 49 CA SER A 6 -18.981 4.080 -8.565 1.00 0.00 C ATOM 50 C SER A 6 -18.330 5.088 -7.622 1.00 0.00 C ATOM 51 O SER A 6 -17.529 5.921 -8.042 1.00 0.00 O ATOM 52 CB SER A 6 -20.501 4.248 -8.539 1.00 0.00 C ATOM 53 OG SER A 6 -20.876 5.559 -8.926 1.00 0.00 O ATOM 0 H SER A 6 -19.406 2.118 -7.960 1.00 0.00 H new ATOM 0 HA SER A 6 -18.619 4.268 -9.576 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.962 3.522 -9.209 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.876 4.040 -7.537 1.00 0.00 H new ATOM 0 HG SER A 6 -21.852 5.640 -8.903 1.00 0.00 H new ATOM 59 N GLY A 7 -18.682 5.004 -6.342 1.00 0.00 N ATOM 60 CA GLY A 7 -18.125 5.914 -5.359 1.00 0.00 C ATOM 61 C GLY A 7 -17.315 5.195 -4.297 1.00 0.00 C ATOM 62 O GLY A 7 -17.697 5.170 -3.127 1.00 0.00 O ATOM 0 H GLY A 7 -19.343 4.322 -5.969 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.492 6.644 -5.862 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.933 6.468 -4.882 1.00 0.00 H new ATOM 66 N TYR A 8 -16.197 4.607 -4.706 1.00 0.00 N ATOM 67 CA TYR A 8 -15.334 3.880 -3.782 1.00 0.00 C ATOM 68 C TYR A 8 -13.921 3.753 -4.343 1.00 0.00 C ATOM 69 O TYR A 8 -13.678 4.034 -5.516 1.00 0.00 O ATOM 70 CB TYR A 8 -15.909 2.492 -3.499 1.00 0.00 C ATOM 71 CG TYR A 8 -15.554 1.956 -2.130 1.00 0.00 C ATOM 72 CD1 TYR A 8 -16.086 2.526 -0.980 1.00 0.00 C ATOM 73 CD2 TYR A 8 -14.684 0.882 -1.987 1.00 0.00 C ATOM 74 CE1 TYR A 8 -15.764 2.041 0.272 1.00 0.00 C ATOM 75 CE2 TYR A 8 -14.357 0.389 -0.739 1.00 0.00 C ATOM 76 CZ TYR A 8 -14.899 0.972 0.388 1.00 0.00 C ATOM 77 OH TYR A 8 -14.575 0.485 1.633 1.00 0.00 O ATOM 0 H TYR A 8 -15.867 4.619 -5.671 1.00 0.00 H new ATOM 0 HA TYR A 8 -15.286 4.443 -2.850 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -16.994 2.531 -3.594 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -15.548 1.797 -4.257 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -16.763 3.363 -1.067 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -14.256 0.425 -2.867 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -16.187 2.496 1.156 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -13.681 -0.448 -0.646 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.956 -0.269 1.538 1.00 0.00 H new ATOM 87 N SER A 9 -12.991 3.325 -3.494 1.00 0.00 N ATOM 88 CA SER A 9 -11.600 3.163 -3.902 1.00 0.00 C ATOM 89 C SER A 9 -10.990 1.917 -3.268 1.00 0.00 C ATOM 90 O SER A 9 -10.749 1.874 -2.061 1.00 0.00 O ATOM 91 CB SER A 9 -10.785 4.398 -3.514 1.00 0.00 C ATOM 92 OG SER A 9 -11.380 5.581 -4.018 1.00 0.00 O ATOM 0 H SER A 9 -13.176 3.084 -2.520 1.00 0.00 H new ATOM 0 HA SER A 9 -11.576 3.047 -4.986 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.708 4.460 -2.429 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.770 4.304 -3.901 1.00 0.00 H new ATOM 0 HG SER A 9 -10.841 6.356 -3.755 1.00 0.00 H new ATOM 98 N VAL A 10 -10.743 0.902 -4.091 1.00 0.00 N ATOM 99 CA VAL A 10 -10.160 -0.346 -3.612 1.00 0.00 C ATOM 100 C VAL A 10 -8.637 -0.299 -3.672 1.00 0.00 C ATOM 101 O VAL A 10 -7.969 -1.329 -3.572 1.00 0.00 O ATOM 102 CB VAL A 10 -10.659 -1.549 -4.434 1.00 0.00 C ATOM 103 CG1 VAL A 10 -9.818 -1.724 -5.689 1.00 0.00 C ATOM 104 CG2 VAL A 10 -10.640 -2.814 -3.589 1.00 0.00 C ATOM 0 H VAL A 10 -10.938 0.920 -5.092 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.476 -0.467 -2.576 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.688 -1.358 -4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -10.185 -2.579 -6.257 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.887 -0.825 -6.301 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.778 -1.894 -5.409 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.996 -3.655 -4.185 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.622 -3.012 -3.253 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.289 -2.683 -2.723 1.00 0.00 H new ATOM 114 N LYS A 11 -8.093 0.902 -3.836 1.00 0.00 N ATOM 115 CA LYS A 11 -6.648 1.085 -3.908 1.00 0.00 C ATOM 116 C LYS A 11 -5.934 0.164 -2.924 1.00 0.00 C ATOM 117 O LYS A 11 -6.456 -0.137 -1.850 1.00 0.00 O ATOM 118 CB LYS A 11 -6.283 2.542 -3.616 1.00 0.00 C ATOM 119 CG LYS A 11 -4.836 2.880 -3.929 1.00 0.00 C ATOM 120 CD LYS A 11 -4.640 4.376 -4.113 1.00 0.00 C ATOM 121 CE LYS A 11 -3.176 4.767 -3.978 1.00 0.00 C ATOM 122 NZ LYS A 11 -2.889 6.073 -4.633 1.00 0.00 N ATOM 0 H LYS A 11 -8.632 1.764 -3.922 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.324 0.831 -4.917 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.934 3.195 -4.198 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.478 2.753 -2.564 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.196 2.525 -3.122 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.527 2.358 -4.834 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.008 4.674 -5.095 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.231 4.915 -3.373 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.911 4.824 -2.922 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.551 3.993 -4.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.063 5.974 -5.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.713 6.369 -5.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.690 6.790 -3.906 1.00 0.00 H new ATOM 136 N TRP A 12 -4.739 -0.279 -3.297 1.00 0.00 N ATOM 137 CA TRP A 12 -3.952 -1.165 -2.445 1.00 0.00 C ATOM 138 C TRP A 12 -3.806 -0.584 -1.043 1.00 0.00 C ATOM 139 O TRP A 12 -4.010 0.612 -0.831 1.00 0.00 O ATOM 140 CB TRP A 12 -2.571 -1.402 -3.059 1.00 0.00 C ATOM 141 CG TRP A 12 -2.576 -2.424 -4.156 1.00 0.00 C ATOM 142 CD1 TRP A 12 -3.469 -2.517 -5.185 1.00 0.00 C ATOM 143 CD2 TRP A 12 -1.645 -3.497 -4.330 1.00 0.00 C ATOM 144 NE1 TRP A 12 -3.149 -3.584 -5.989 1.00 0.00 N ATOM 145 CE2 TRP A 12 -2.034 -4.201 -5.487 1.00 0.00 C ATOM 146 CE3 TRP A 12 -0.520 -3.931 -3.624 1.00 0.00 C ATOM 147 CZ2 TRP A 12 -1.337 -5.314 -5.949 1.00 0.00 C ATOM 148 CZ3 TRP A 12 0.170 -5.036 -4.084 1.00 0.00 C ATOM 149 CH2 TRP A 12 -0.239 -5.717 -5.238 1.00 0.00 C ATOM 0 H TRP A 12 -4.293 -0.040 -4.183 1.00 0.00 H new ATOM 0 HA TRP A 12 -4.477 -2.117 -2.370 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -2.189 -0.460 -3.452 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -1.883 -1.723 -2.276 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.304 -1.850 -5.343 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.659 -3.870 -6.825 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -0.196 -3.412 -2.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.652 -5.841 -6.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 1.040 -5.381 -3.545 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.323 -6.576 -5.573 1.00 0.00 H new ATOM 160 N THR A 13 -3.452 -1.438 -0.088 1.00 0.00 N ATOM 161 CA THR A 13 -3.280 -1.009 1.295 1.00 0.00 C ATOM 162 C THR A 13 -1.847 -1.232 1.765 1.00 0.00 C ATOM 163 O THR A 13 -1.169 -2.150 1.304 1.00 0.00 O ATOM 164 CB THR A 13 -4.241 -1.757 2.238 1.00 0.00 C ATOM 165 OG1 THR A 13 -4.166 -3.166 1.997 1.00 0.00 O ATOM 166 CG2 THR A 13 -5.672 -1.279 2.044 1.00 0.00 C ATOM 0 H THR A 13 -3.279 -2.431 -0.247 1.00 0.00 H new ATOM 0 HA THR A 13 -3.508 0.056 1.327 1.00 0.00 H new ATOM 0 HB THR A 13 -3.942 -1.548 3.265 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.779 -3.634 2.602 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.332 -1.822 2.721 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.731 -0.212 2.258 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.980 -1.460 1.014 1.00 0.00 H new ATOM 174 N ILE A 14 -1.394 -0.388 2.686 1.00 0.00 N ATOM 175 CA ILE A 14 -0.042 -0.496 3.219 1.00 0.00 C ATOM 176 C ILE A 14 0.325 -1.949 3.501 1.00 0.00 C ATOM 177 O ILE A 14 1.302 -2.468 2.963 1.00 0.00 O ATOM 178 CB ILE A 14 0.119 0.322 4.514 1.00 0.00 C ATOM 179 CG1 ILE A 14 -0.183 1.799 4.251 1.00 0.00 C ATOM 180 CG2 ILE A 14 1.523 0.156 5.075 1.00 0.00 C ATOM 181 CD1 ILE A 14 -0.463 2.592 5.509 1.00 0.00 C ATOM 0 H ILE A 14 -1.943 0.377 3.078 1.00 0.00 H new ATOM 0 HA ILE A 14 0.629 -0.096 2.459 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.592 -0.050 5.251 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.663 2.247 3.729 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.043 1.873 3.586 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.621 0.740 5.990 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.705 -0.896 5.295 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.251 0.505 4.343 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.669 3.630 5.247 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.327 2.169 6.021 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.405 2.549 6.167 1.00 0.00 H new ATOM 193 N GLU A 15 -0.468 -2.600 4.347 1.00 0.00 N ATOM 194 CA GLU A 15 -0.227 -3.995 4.699 1.00 0.00 C ATOM 195 C GLU A 15 0.119 -4.816 3.460 1.00 0.00 C ATOM 196 O GLU A 15 0.993 -5.681 3.501 1.00 0.00 O ATOM 197 CB GLU A 15 -1.455 -4.588 5.391 1.00 0.00 C ATOM 198 CG GLU A 15 -1.354 -6.085 5.633 1.00 0.00 C ATOM 199 CD GLU A 15 -0.678 -6.419 6.949 1.00 0.00 C ATOM 200 OE1 GLU A 15 0.058 -5.557 7.474 1.00 0.00 O ATOM 201 OE2 GLU A 15 -0.885 -7.543 7.454 1.00 0.00 O ATOM 0 H GLU A 15 -1.282 -2.184 4.801 1.00 0.00 H new ATOM 0 HA GLU A 15 0.620 -4.030 5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.603 -4.083 6.346 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.337 -4.385 4.784 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.354 -6.519 5.622 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.798 -6.545 4.816 1.00 0.00 H new ATOM 208 N GLU A 16 -0.575 -4.539 2.360 1.00 0.00 N ATOM 209 CA GLU A 16 -0.342 -5.254 1.111 1.00 0.00 C ATOM 210 C GLU A 16 0.950 -4.785 0.448 1.00 0.00 C ATOM 211 O GLU A 16 1.748 -5.594 -0.025 1.00 0.00 O ATOM 212 CB GLU A 16 -1.520 -5.052 0.155 1.00 0.00 C ATOM 213 CG GLU A 16 -2.742 -5.881 0.512 1.00 0.00 C ATOM 214 CD GLU A 16 -3.896 -5.663 -0.447 1.00 0.00 C ATOM 215 OE1 GLU A 16 -4.136 -4.499 -0.830 1.00 0.00 O ATOM 216 OE2 GLU A 16 -4.559 -6.655 -0.815 1.00 0.00 O ATOM 0 H GLU A 16 -1.302 -3.825 2.309 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.247 -6.315 1.342 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.796 -3.997 0.149 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.203 -5.304 -0.857 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.472 -6.937 0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.063 -5.631 1.523 1.00 0.00 H new ATOM 223 N LYS A 17 1.150 -3.471 0.419 1.00 0.00 N ATOM 224 CA LYS A 17 2.345 -2.892 -0.184 1.00 0.00 C ATOM 225 C LYS A 17 3.606 -3.429 0.484 1.00 0.00 C ATOM 226 O LYS A 17 4.604 -3.700 -0.182 1.00 0.00 O ATOM 227 CB LYS A 17 2.307 -1.366 -0.075 1.00 0.00 C ATOM 228 CG LYS A 17 1.609 -0.690 -1.242 1.00 0.00 C ATOM 229 CD LYS A 17 1.268 0.757 -0.926 1.00 0.00 C ATOM 230 CE LYS A 17 -0.107 0.879 -0.287 1.00 0.00 C ATOM 231 NZ LYS A 17 -0.199 2.066 0.608 1.00 0.00 N ATOM 0 H LYS A 17 0.500 -2.787 0.806 1.00 0.00 H new ATOM 0 HA LYS A 17 2.365 -3.175 -1.236 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.801 -1.089 0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.328 -0.990 -0.006 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.250 -0.730 -2.123 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.697 -1.235 -1.487 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.020 1.171 -0.255 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.298 1.347 -1.842 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.865 0.953 -1.067 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.324 -0.024 0.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.151 2.114 1.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.507 1.984 1.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.017 2.930 0.058 1.00 0.00 H new ATOM 245 N GLU A 18 3.553 -3.581 1.804 1.00 0.00 N ATOM 246 CA GLU A 18 4.692 -4.087 2.561 1.00 0.00 C ATOM 247 C GLU A 18 4.937 -5.562 2.255 1.00 0.00 C ATOM 248 O GLU A 18 6.080 -6.018 2.215 1.00 0.00 O ATOM 249 CB GLU A 18 4.461 -3.897 4.061 1.00 0.00 C ATOM 250 CG GLU A 18 3.247 -4.644 4.589 1.00 0.00 C ATOM 251 CD GLU A 18 3.309 -4.871 6.087 1.00 0.00 C ATOM 252 OE1 GLU A 18 4.413 -5.144 6.602 1.00 0.00 O ATOM 253 OE2 GLU A 18 2.251 -4.776 6.745 1.00 0.00 O ATOM 0 H GLU A 18 2.734 -3.361 2.371 1.00 0.00 H new ATOM 0 HA GLU A 18 5.574 -3.521 2.262 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.346 -4.231 4.602 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.342 -2.834 4.270 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.345 -4.081 4.347 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.168 -5.606 4.082 1.00 0.00 H new ATOM 260 N LEU A 19 3.855 -6.303 2.041 1.00 0.00 N ATOM 261 CA LEU A 19 3.951 -7.727 1.740 1.00 0.00 C ATOM 262 C LEU A 19 4.481 -7.950 0.327 1.00 0.00 C ATOM 263 O LEU A 19 5.375 -8.768 0.110 1.00 0.00 O ATOM 264 CB LEU A 19 2.583 -8.394 1.895 1.00 0.00 C ATOM 265 CG LEU A 19 2.175 -8.765 3.321 1.00 0.00 C ATOM 266 CD1 LEU A 19 0.728 -9.231 3.358 1.00 0.00 C ATOM 267 CD2 LEU A 19 3.098 -9.840 3.877 1.00 0.00 C ATOM 0 H LEU A 19 2.902 -5.941 2.070 1.00 0.00 H new ATOM 0 HA LEU A 19 4.650 -8.176 2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.826 -7.725 1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.572 -9.299 1.288 1.00 0.00 H new ATOM 0 HG LEU A 19 2.265 -7.877 3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.455 -9.491 4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.079 -8.431 3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.611 -10.106 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.793 -10.092 4.893 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.040 -10.729 3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.123 -9.470 3.887 1.00 0.00 H new ATOM 279 N PHE A 20 3.925 -7.215 -0.631 1.00 0.00 N ATOM 280 CA PHE A 20 4.343 -7.332 -2.023 1.00 0.00 C ATOM 281 C PHE A 20 5.858 -7.203 -2.149 1.00 0.00 C ATOM 282 O PHE A 20 6.508 -8.021 -2.799 1.00 0.00 O ATOM 283 CB PHE A 20 3.656 -6.263 -2.875 1.00 0.00 C ATOM 284 CG PHE A 20 4.364 -5.981 -4.169 1.00 0.00 C ATOM 285 CD1 PHE A 20 5.491 -5.175 -4.197 1.00 0.00 C ATOM 286 CD2 PHE A 20 3.903 -6.522 -5.359 1.00 0.00 C ATOM 287 CE1 PHE A 20 6.146 -4.914 -5.386 1.00 0.00 C ATOM 288 CE2 PHE A 20 4.553 -6.265 -6.551 1.00 0.00 C ATOM 289 CZ PHE A 20 5.675 -5.459 -6.565 1.00 0.00 C ATOM 0 H PHE A 20 3.184 -6.533 -0.469 1.00 0.00 H new ATOM 0 HA PHE A 20 4.049 -8.318 -2.383 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.636 -6.582 -3.090 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.587 -5.340 -2.299 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.862 -4.745 -3.278 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.026 -7.152 -5.355 1.00 0.00 H new ATOM 0 HE1 PHE A 20 7.024 -4.285 -5.393 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.184 -6.694 -7.471 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.183 -5.255 -7.496 1.00 0.00 H new ATOM 299 N GLU A 21 6.412 -6.170 -1.522 1.00 0.00 N ATOM 300 CA GLU A 21 7.850 -5.933 -1.566 1.00 0.00 C ATOM 301 C GLU A 21 8.610 -7.077 -0.900 1.00 0.00 C ATOM 302 O GLU A 21 9.501 -7.676 -1.501 1.00 0.00 O ATOM 303 CB GLU A 21 8.193 -4.610 -0.878 1.00 0.00 C ATOM 304 CG GLU A 21 8.171 -3.414 -1.814 1.00 0.00 C ATOM 305 CD GLU A 21 9.495 -3.203 -2.522 1.00 0.00 C ATOM 306 OE1 GLU A 21 10.361 -2.499 -1.962 1.00 0.00 O ATOM 307 OE2 GLU A 21 9.665 -3.741 -3.636 1.00 0.00 O ATOM 0 H GLU A 21 5.887 -5.485 -0.978 1.00 0.00 H new ATOM 0 HA GLU A 21 8.152 -5.879 -2.612 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.486 -4.438 -0.066 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.182 -4.690 -0.428 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.385 -3.552 -2.556 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.920 -2.518 -1.247 1.00 0.00 H new ATOM 314 N GLN A 22 8.251 -7.373 0.345 1.00 0.00 N ATOM 315 CA GLN A 22 8.899 -8.443 1.093 1.00 0.00 C ATOM 316 C GLN A 22 9.158 -9.652 0.200 1.00 0.00 C ATOM 317 O GLN A 22 10.293 -10.108 0.068 1.00 0.00 O ATOM 318 CB GLN A 22 8.038 -8.852 2.289 1.00 0.00 C ATOM 319 CG GLN A 22 8.837 -9.445 3.439 1.00 0.00 C ATOM 320 CD GLN A 22 8.030 -10.429 4.264 1.00 0.00 C ATOM 321 OE1 GLN A 22 7.804 -10.219 5.456 1.00 0.00 O ATOM 322 NE2 GLN A 22 7.590 -11.510 3.632 1.00 0.00 N ATOM 0 H GLN A 22 7.515 -6.887 0.857 1.00 0.00 H new ATOM 0 HA GLN A 22 9.857 -8.070 1.455 1.00 0.00 H new ATOM 0 HB2 GLN A 22 7.492 -7.980 2.648 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.296 -9.579 1.960 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.719 -9.947 3.042 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.191 -8.640 4.084 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.801 -11.644 2.643 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.041 -12.207 4.135 1.00 0.00 H new ATOM 331 N GLY A 23 8.096 -10.168 -0.411 1.00 0.00 N ATOM 332 CA GLY A 23 8.229 -11.320 -1.284 1.00 0.00 C ATOM 333 C GLY A 23 8.902 -10.978 -2.597 1.00 0.00 C ATOM 334 O GLY A 23 9.541 -11.829 -3.217 1.00 0.00 O ATOM 0 H GLY A 23 7.146 -9.809 -0.317 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.805 -12.093 -0.775 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.242 -11.737 -1.483 1.00 0.00 H new ATOM 338 N LEU A 24 8.759 -9.728 -3.026 1.00 0.00 N ATOM 339 CA LEU A 24 9.358 -9.275 -4.276 1.00 0.00 C ATOM 340 C LEU A 24 10.881 -9.335 -4.204 1.00 0.00 C ATOM 341 O LEU A 24 11.548 -9.627 -5.196 1.00 0.00 O ATOM 342 CB LEU A 24 8.907 -7.848 -4.593 1.00 0.00 C ATOM 343 CG LEU A 24 9.397 -7.267 -5.920 1.00 0.00 C ATOM 344 CD1 LEU A 24 8.503 -7.719 -7.063 1.00 0.00 C ATOM 345 CD2 LEU A 24 9.450 -5.748 -5.850 1.00 0.00 C ATOM 0 H LEU A 24 8.233 -9.011 -2.526 1.00 0.00 H new ATOM 0 HA LEU A 24 9.024 -9.941 -5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.817 -7.824 -4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.243 -7.195 -3.788 1.00 0.00 H new ATOM 0 HG LEU A 24 10.405 -7.637 -6.107 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.867 -7.296 -7.999 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.517 -8.807 -7.127 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.483 -7.379 -6.884 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.801 -5.352 -6.803 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.454 -5.358 -5.640 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.133 -5.444 -5.057 1.00 0.00 H new ATOM 357 N ALA A 25 11.423 -9.058 -3.023 1.00 0.00 N ATOM 358 CA ALA A 25 12.867 -9.084 -2.821 1.00 0.00 C ATOM 359 C ALA A 25 13.351 -10.495 -2.503 1.00 0.00 C ATOM 360 O ALA A 25 14.440 -10.896 -2.912 1.00 0.00 O ATOM 361 CB ALA A 25 13.261 -8.125 -1.707 1.00 0.00 C ATOM 0 H ALA A 25 10.885 -8.813 -2.192 1.00 0.00 H new ATOM 0 HA ALA A 25 13.345 -8.764 -3.747 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.342 -8.154 -1.567 1.00 0.00 H new ATOM 0 HB2 ALA A 25 12.957 -7.113 -1.974 1.00 0.00 H new ATOM 0 HB3 ALA A 25 12.767 -8.420 -0.781 1.00 0.00 H new ATOM 367 N LYS A 26 12.534 -11.244 -1.770 1.00 0.00 N ATOM 368 CA LYS A 26 12.878 -12.611 -1.396 1.00 0.00 C ATOM 369 C LYS A 26 12.711 -13.557 -2.581 1.00 0.00 C ATOM 370 O LYS A 26 13.674 -14.177 -3.033 1.00 0.00 O ATOM 371 CB LYS A 26 12.004 -13.078 -0.230 1.00 0.00 C ATOM 372 CG LYS A 26 12.654 -14.152 0.624 1.00 0.00 C ATOM 373 CD LYS A 26 11.635 -14.857 1.504 1.00 0.00 C ATOM 374 CE LYS A 26 11.206 -13.982 2.672 1.00 0.00 C ATOM 375 NZ LYS A 26 10.150 -13.010 2.277 1.00 0.00 N ATOM 0 H LYS A 26 11.629 -10.927 -1.423 1.00 0.00 H new ATOM 0 HA LYS A 26 13.923 -12.625 -1.087 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.764 -12.221 0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.061 -13.459 -0.623 1.00 0.00 H new ATOM 0 HG2 LYS A 26 13.147 -14.881 -0.019 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.427 -13.704 1.248 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.762 -15.125 0.909 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.060 -15.787 1.882 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.836 -14.612 3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.071 -13.442 3.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.522 -12.042 2.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.863 -13.190 1.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.327 -13.118 2.904 1.00 0.00 H new ATOM 389 N PHE A 27 11.484 -13.661 -3.081 1.00 0.00 N ATOM 390 CA PHE A 27 11.192 -14.531 -4.214 1.00 0.00 C ATOM 391 C PHE A 27 11.655 -13.896 -5.522 1.00 0.00 C ATOM 392 O PHE A 27 11.994 -14.592 -6.478 1.00 0.00 O ATOM 393 CB PHE A 27 9.693 -14.829 -4.282 1.00 0.00 C ATOM 394 CG PHE A 27 9.197 -15.674 -3.144 1.00 0.00 C ATOM 395 CD1 PHE A 27 9.785 -16.897 -2.864 1.00 0.00 C ATOM 396 CD2 PHE A 27 8.144 -15.245 -2.352 1.00 0.00 C ATOM 397 CE1 PHE A 27 9.331 -17.677 -1.818 1.00 0.00 C ATOM 398 CE2 PHE A 27 7.685 -16.020 -1.304 1.00 0.00 C ATOM 399 CZ PHE A 27 8.280 -17.238 -1.036 1.00 0.00 C ATOM 0 H PHE A 27 10.676 -13.154 -2.719 1.00 0.00 H new ATOM 0 HA PHE A 27 11.736 -15.465 -4.072 1.00 0.00 H new ATOM 0 HB2 PHE A 27 9.144 -13.888 -4.291 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.474 -15.335 -5.222 1.00 0.00 H new ATOM 0 HD1 PHE A 27 10.608 -17.245 -3.471 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.676 -14.293 -2.556 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.797 -18.629 -1.612 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.863 -15.674 -0.695 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.924 -17.846 -0.217 1.00 0.00 H new ATOM 409 N GLY A 28 11.667 -12.566 -5.555 1.00 0.00 N ATOM 410 CA GLY A 28 12.089 -11.858 -6.750 1.00 0.00 C ATOM 411 C GLY A 28 10.926 -11.238 -7.498 1.00 0.00 C ATOM 412 O GLY A 28 10.065 -10.594 -6.897 1.00 0.00 O ATOM 0 H GLY A 28 11.392 -11.967 -4.776 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.798 -11.077 -6.475 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.615 -12.547 -7.410 1.00 0.00 H new ATOM 416 N ARG A 29 10.900 -11.429 -8.812 1.00 0.00 N ATOM 417 CA ARG A 29 9.836 -10.881 -9.644 1.00 0.00 C ATOM 418 C ARG A 29 8.754 -11.926 -9.901 1.00 0.00 C ATOM 419 O ARG A 29 8.063 -11.881 -10.920 1.00 0.00 O ATOM 420 CB ARG A 29 10.404 -10.381 -10.973 1.00 0.00 C ATOM 421 CG ARG A 29 11.035 -9.001 -10.885 1.00 0.00 C ATOM 422 CD ARG A 29 11.087 -8.325 -12.246 1.00 0.00 C ATOM 423 NE ARG A 29 9.795 -7.760 -12.627 1.00 0.00 N ATOM 424 CZ ARG A 29 9.587 -7.098 -13.759 1.00 0.00 C ATOM 425 NH1 ARG A 29 10.581 -6.919 -14.619 1.00 0.00 N ATOM 426 NH2 ARG A 29 8.382 -6.614 -14.035 1.00 0.00 N ATOM 0 H ARG A 29 11.604 -11.960 -9.324 1.00 0.00 H new ATOM 0 HA ARG A 29 9.388 -10.043 -9.111 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.151 -11.091 -11.329 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.605 -10.359 -11.715 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.465 -8.383 -10.192 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.044 -9.086 -10.481 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.837 -7.535 -12.230 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.402 -9.048 -12.998 1.00 0.00 H new ATOM 0 HE ARG A 29 9.009 -7.881 -11.988 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.508 -7.290 -14.411 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.418 -6.410 -15.488 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.615 -6.750 -13.377 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.224 -6.106 -14.905 1.00 0.00 H new ATOM 440 N ARG A 30 8.614 -12.866 -8.973 1.00 0.00 N ATOM 441 CA ARG A 30 7.618 -13.924 -9.100 1.00 0.00 C ATOM 442 C ARG A 30 6.246 -13.436 -8.644 1.00 0.00 C ATOM 443 O ARG A 30 6.021 -13.207 -7.456 1.00 0.00 O ATOM 444 CB ARG A 30 8.035 -15.147 -8.281 1.00 0.00 C ATOM 445 CG ARG A 30 8.988 -16.076 -9.016 1.00 0.00 C ATOM 446 CD ARG A 30 10.414 -15.549 -8.984 1.00 0.00 C ATOM 447 NE ARG A 30 11.218 -16.079 -10.082 1.00 0.00 N ATOM 448 CZ ARG A 30 12.512 -15.822 -10.236 1.00 0.00 C ATOM 449 NH1 ARG A 30 13.145 -15.047 -9.367 1.00 0.00 N ATOM 450 NH2 ARG A 30 13.175 -16.341 -11.261 1.00 0.00 N ATOM 0 H ARG A 30 9.178 -12.917 -8.124 1.00 0.00 H new ATOM 0 HA ARG A 30 7.554 -14.204 -10.151 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.508 -14.812 -7.358 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.143 -15.705 -7.998 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.955 -17.067 -8.562 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.663 -16.188 -10.050 1.00 0.00 H new ATOM 0 HD2 ARG A 30 10.399 -14.460 -9.038 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.878 -15.815 -8.034 1.00 0.00 H new ATOM 0 HE ARG A 30 10.761 -16.679 -10.768 1.00 0.00 H new ATOM 0 HH11 ARG A 30 12.638 -14.646 -8.578 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.139 -14.851 -9.488 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.691 -16.938 -11.932 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.169 -16.143 -11.378 1.00 0.00 H new ATOM 464 N TRP A 31 5.333 -13.280 -9.596 1.00 0.00 N ATOM 465 CA TRP A 31 3.983 -12.819 -9.292 1.00 0.00 C ATOM 466 C TRP A 31 3.123 -13.963 -8.767 1.00 0.00 C ATOM 467 O TRP A 31 2.231 -13.755 -7.943 1.00 0.00 O ATOM 468 CB TRP A 31 3.338 -12.209 -10.537 1.00 0.00 C ATOM 469 CG TRP A 31 4.288 -11.392 -11.359 1.00 0.00 C ATOM 470 CD1 TRP A 31 4.454 -11.444 -12.714 1.00 0.00 C ATOM 471 CD2 TRP A 31 5.205 -10.403 -10.879 1.00 0.00 C ATOM 472 NE1 TRP A 31 5.418 -10.546 -13.104 1.00 0.00 N ATOM 473 CE2 TRP A 31 5.894 -9.895 -11.998 1.00 0.00 C ATOM 474 CE3 TRP A 31 5.509 -9.895 -9.613 1.00 0.00 C ATOM 475 CZ2 TRP A 31 6.868 -8.906 -11.886 1.00 0.00 C ATOM 476 CZ3 TRP A 31 6.476 -8.914 -9.504 1.00 0.00 C ATOM 477 CH2 TRP A 31 7.145 -8.427 -10.634 1.00 0.00 C ATOM 0 H TRP A 31 5.503 -13.466 -10.584 1.00 0.00 H new ATOM 0 HA TRP A 31 4.052 -12.056 -8.517 1.00 0.00 H new ATOM 0 HB2 TRP A 31 2.930 -13.009 -11.155 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.500 -11.582 -10.233 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.908 -12.095 -13.381 1.00 0.00 H new ATOM 0 HE1 TRP A 31 5.729 -10.390 -14.063 1.00 0.00 H new ATOM 0 HE3 TRP A 31 4.997 -10.263 -8.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 7.386 -8.530 -12.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 6.720 -8.516 -8.530 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.894 -7.658 -10.515 1.00 0.00 H new ATOM 488 N THR A 32 3.396 -15.172 -9.247 1.00 0.00 N ATOM 489 CA THR A 32 2.646 -16.349 -8.826 1.00 0.00 C ATOM 490 C THR A 32 2.928 -16.688 -7.367 1.00 0.00 C ATOM 491 O THR A 32 2.108 -17.312 -6.694 1.00 0.00 O ATOM 492 CB THR A 32 2.983 -17.572 -9.700 1.00 0.00 C ATOM 493 OG1 THR A 32 4.395 -17.638 -9.927 1.00 0.00 O ATOM 494 CG2 THR A 32 2.253 -17.502 -11.033 1.00 0.00 C ATOM 0 H THR A 32 4.131 -15.362 -9.928 1.00 0.00 H new ATOM 0 HA THR A 32 1.589 -16.109 -8.942 1.00 0.00 H new ATOM 0 HB THR A 32 2.658 -18.469 -9.172 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.601 -18.419 -10.482 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.506 -18.376 -11.633 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.177 -17.481 -10.858 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.551 -16.598 -11.564 1.00 0.00 H new ATOM 502 N LYS A 33 4.093 -16.272 -6.883 1.00 0.00 N ATOM 503 CA LYS A 33 4.484 -16.530 -5.502 1.00 0.00 C ATOM 504 C LYS A 33 3.941 -15.449 -4.572 1.00 0.00 C ATOM 505 O LYS A 33 3.333 -15.750 -3.545 1.00 0.00 O ATOM 506 CB LYS A 33 6.008 -16.598 -5.386 1.00 0.00 C ATOM 507 CG LYS A 33 6.639 -17.660 -6.270 1.00 0.00 C ATOM 508 CD LYS A 33 6.727 -18.999 -5.558 1.00 0.00 C ATOM 509 CE LYS A 33 7.947 -19.069 -4.652 1.00 0.00 C ATOM 510 NZ LYS A 33 9.216 -18.931 -5.419 1.00 0.00 N ATOM 0 H LYS A 33 4.783 -15.754 -7.427 1.00 0.00 H new ATOM 0 HA LYS A 33 4.060 -17.489 -5.204 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.427 -15.626 -5.645 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.276 -16.795 -4.348 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.053 -17.770 -7.182 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.637 -17.340 -6.569 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.825 -19.159 -4.968 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.773 -19.802 -6.294 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.888 -18.280 -3.902 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.948 -20.018 -4.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.819 -19.761 -5.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.002 -18.865 -6.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.715 -18.071 -5.113 1.00 0.00 H new ATOM 524 N ILE A 34 4.163 -14.192 -4.940 1.00 0.00 N ATOM 525 CA ILE A 34 3.694 -13.068 -4.140 1.00 0.00 C ATOM 526 C ILE A 34 2.180 -13.113 -3.964 1.00 0.00 C ATOM 527 O ILE A 34 1.665 -12.885 -2.870 1.00 0.00 O ATOM 528 CB ILE A 34 4.085 -11.721 -4.777 1.00 0.00 C ATOM 529 CG1 ILE A 34 5.606 -11.618 -4.911 1.00 0.00 C ATOM 530 CG2 ILE A 34 3.541 -10.566 -3.950 1.00 0.00 C ATOM 531 CD1 ILE A 34 6.055 -10.580 -5.915 1.00 0.00 C ATOM 0 H ILE A 34 4.665 -13.926 -5.787 1.00 0.00 H new ATOM 0 HA ILE A 34 4.174 -13.153 -3.165 1.00 0.00 H new ATOM 0 HB ILE A 34 3.647 -11.666 -5.774 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.033 -11.378 -3.937 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.004 -12.590 -5.203 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.826 -9.621 -4.413 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.454 -10.633 -3.902 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.953 -10.615 -2.942 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.144 -10.562 -5.957 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.658 -10.830 -6.899 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.687 -9.599 -5.613 1.00 0.00 H new ATOM 543 N SER A 35 1.472 -13.411 -5.049 1.00 0.00 N ATOM 544 CA SER A 35 0.016 -13.484 -5.015 1.00 0.00 C ATOM 545 C SER A 35 -0.456 -14.405 -3.894 1.00 0.00 C ATOM 546 O SER A 35 -1.342 -14.052 -3.115 1.00 0.00 O ATOM 547 CB SER A 35 -0.522 -13.981 -6.358 1.00 0.00 C ATOM 548 OG SER A 35 -1.902 -14.293 -6.271 1.00 0.00 O ATOM 0 H SER A 35 1.883 -13.606 -5.962 1.00 0.00 H new ATOM 0 HA SER A 35 -0.369 -12.482 -4.825 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.366 -13.218 -7.121 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.035 -14.864 -6.672 1.00 0.00 H new ATOM 0 HG SER A 35 -2.086 -15.108 -6.783 1.00 0.00 H new ATOM 554 N LYS A 36 0.144 -15.589 -3.817 1.00 0.00 N ATOM 555 CA LYS A 36 -0.212 -16.562 -2.791 1.00 0.00 C ATOM 556 C LYS A 36 0.146 -16.044 -1.402 1.00 0.00 C ATOM 557 O LYS A 36 -0.633 -16.181 -0.458 1.00 0.00 O ATOM 558 CB LYS A 36 0.502 -17.891 -3.051 1.00 0.00 C ATOM 559 CG LYS A 36 -0.159 -18.737 -4.125 1.00 0.00 C ATOM 560 CD LYS A 36 0.254 -20.195 -4.019 1.00 0.00 C ATOM 561 CE LYS A 36 0.191 -20.892 -5.369 1.00 0.00 C ATOM 562 NZ LYS A 36 0.074 -22.370 -5.226 1.00 0.00 N ATOM 0 H LYS A 36 0.879 -15.897 -4.453 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.290 -16.720 -2.834 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.533 -17.689 -3.343 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.539 -18.461 -2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.242 -18.657 -4.036 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.110 -18.352 -5.109 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.267 -20.259 -3.622 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.398 -20.708 -3.313 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.661 -20.513 -5.934 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.086 -20.653 -5.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.034 -22.808 -6.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.899 -22.735 -4.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.793 -22.600 -4.700 1.00 0.00 H new ATOM 576 N LEU A 37 1.327 -15.447 -1.284 1.00 0.00 N ATOM 577 CA LEU A 37 1.787 -14.906 -0.010 1.00 0.00 C ATOM 578 C LEU A 37 0.736 -13.985 0.602 1.00 0.00 C ATOM 579 O LEU A 37 0.294 -14.195 1.732 1.00 0.00 O ATOM 580 CB LEU A 37 3.100 -14.145 -0.201 1.00 0.00 C ATOM 581 CG LEU A 37 3.589 -13.338 1.003 1.00 0.00 C ATOM 582 CD1 LEU A 37 4.102 -14.264 2.094 1.00 0.00 C ATOM 583 CD2 LEU A 37 4.672 -12.356 0.581 1.00 0.00 C ATOM 0 H LEU A 37 1.983 -15.325 -2.055 1.00 0.00 H new ATOM 0 HA LEU A 37 1.954 -15.740 0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.876 -14.861 -0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.984 -13.466 -1.045 1.00 0.00 H new ATOM 0 HG LEU A 37 2.748 -12.772 1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.445 -13.672 2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.299 -14.927 2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.930 -14.858 1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.009 -11.790 1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.514 -12.903 0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.271 -11.670 -0.165 1.00 0.00 H new ATOM 595 N ILE A 38 0.339 -12.965 -0.153 1.00 0.00 N ATOM 596 CA ILE A 38 -0.662 -12.014 0.314 1.00 0.00 C ATOM 597 C ILE A 38 -2.029 -12.676 0.448 1.00 0.00 C ATOM 598 O ILE A 38 -2.688 -12.560 1.480 1.00 0.00 O ATOM 599 CB ILE A 38 -0.779 -10.808 -0.637 1.00 0.00 C ATOM 600 CG1 ILE A 38 0.578 -10.117 -0.788 1.00 0.00 C ATOM 601 CG2 ILE A 38 -1.825 -9.829 -0.124 1.00 0.00 C ATOM 602 CD1 ILE A 38 0.676 -9.242 -2.018 1.00 0.00 C ATOM 0 H ILE A 38 0.695 -12.777 -1.090 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.333 -11.664 1.293 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.094 -11.165 -1.617 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.768 -9.509 0.097 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.360 -10.875 -0.828 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.896 -8.982 -0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.792 -10.328 -0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.537 -9.474 0.866 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.664 -8.784 -2.061 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.518 -9.849 -2.910 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.084 -8.462 -1.971 1.00 0.00 H new ATOM 614 N GLY A 39 -2.448 -13.374 -0.604 1.00 0.00 N ATOM 615 CA GLY A 39 -3.734 -14.047 -0.583 1.00 0.00 C ATOM 616 C GLY A 39 -4.880 -13.117 -0.930 1.00 0.00 C ATOM 617 O GLY A 39 -5.797 -13.497 -1.657 1.00 0.00 O ATOM 0 H GLY A 39 -1.920 -13.485 -1.470 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.718 -14.878 -1.289 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.902 -14.472 0.406 1.00 0.00 H new ATOM 621 N SER A 40 -4.829 -11.896 -0.407 1.00 0.00 N ATOM 622 CA SER A 40 -5.874 -10.912 -0.661 1.00 0.00 C ATOM 623 C SER A 40 -5.937 -10.557 -2.144 1.00 0.00 C ATOM 624 O SER A 40 -7.019 -10.392 -2.708 1.00 0.00 O ATOM 625 CB SER A 40 -5.626 -9.649 0.167 1.00 0.00 C ATOM 626 OG SER A 40 -6.692 -8.726 0.020 1.00 0.00 O ATOM 0 H SER A 40 -4.075 -11.565 0.195 1.00 0.00 H new ATOM 0 HA SER A 40 -6.829 -11.348 -0.369 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.514 -9.915 1.218 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.691 -9.183 -0.145 1.00 0.00 H new ATOM 0 HG SER A 40 -6.337 -7.859 -0.268 1.00 0.00 H new ATOM 632 N ARG A 41 -4.770 -10.442 -2.768 1.00 0.00 N ATOM 633 CA ARG A 41 -4.692 -10.106 -4.185 1.00 0.00 C ATOM 634 C ARG A 41 -4.479 -11.359 -5.030 1.00 0.00 C ATOM 635 O ARG A 41 -4.252 -12.447 -4.501 1.00 0.00 O ATOM 636 CB ARG A 41 -3.556 -9.111 -4.433 1.00 0.00 C ATOM 637 CG ARG A 41 -3.791 -7.749 -3.801 1.00 0.00 C ATOM 638 CD ARG A 41 -4.850 -6.960 -4.555 1.00 0.00 C ATOM 639 NE ARG A 41 -5.360 -5.839 -3.770 1.00 0.00 N ATOM 640 CZ ARG A 41 -6.203 -4.931 -4.247 1.00 0.00 C ATOM 641 NH1 ARG A 41 -6.630 -5.011 -5.500 1.00 0.00 N ATOM 642 NH2 ARG A 41 -6.622 -3.940 -3.471 1.00 0.00 N ATOM 0 H ARG A 41 -3.866 -10.576 -2.316 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.637 -9.648 -4.477 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.628 -9.528 -4.043 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.422 -8.985 -5.507 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.101 -7.877 -2.764 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.857 -7.187 -3.788 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.428 -6.587 -5.488 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.675 -7.622 -4.820 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.052 -5.749 -2.802 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.311 -5.772 -6.100 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.278 -4.312 -5.864 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.296 -3.875 -2.507 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.270 -3.243 -3.839 1.00 0.00 H new ATOM 656 N THR A 42 -4.555 -11.198 -6.347 1.00 0.00 N ATOM 657 CA THR A 42 -4.373 -12.315 -7.266 1.00 0.00 C ATOM 658 C THR A 42 -3.220 -12.053 -8.228 1.00 0.00 C ATOM 659 O THR A 42 -2.855 -10.904 -8.477 1.00 0.00 O ATOM 660 CB THR A 42 -5.652 -12.589 -8.078 1.00 0.00 C ATOM 661 OG1 THR A 42 -5.910 -11.497 -8.969 1.00 0.00 O ATOM 662 CG2 THR A 42 -6.846 -12.791 -7.157 1.00 0.00 C ATOM 0 H THR A 42 -4.741 -10.304 -6.802 1.00 0.00 H new ATOM 0 HA THR A 42 -4.144 -13.190 -6.658 1.00 0.00 H new ATOM 0 HB THR A 42 -5.500 -13.501 -8.655 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.109 -10.690 -8.449 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.738 -12.983 -7.754 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.659 -13.641 -6.500 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.998 -11.894 -6.556 1.00 0.00 H new ATOM 670 N VAL A 43 -2.649 -13.126 -8.766 1.00 0.00 N ATOM 671 CA VAL A 43 -1.538 -13.012 -9.703 1.00 0.00 C ATOM 672 C VAL A 43 -1.736 -11.833 -10.649 1.00 0.00 C ATOM 673 O VAL A 43 -0.802 -11.076 -10.920 1.00 0.00 O ATOM 674 CB VAL A 43 -1.369 -14.299 -10.532 1.00 0.00 C ATOM 675 CG1 VAL A 43 -0.329 -14.098 -11.625 1.00 0.00 C ATOM 676 CG2 VAL A 43 -0.990 -15.466 -9.633 1.00 0.00 C ATOM 0 H VAL A 43 -2.938 -14.084 -8.569 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.638 -12.850 -9.109 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.322 -14.531 -11.008 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.223 -15.018 -12.200 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.647 -13.291 -12.286 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.629 -13.841 -11.173 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.875 -16.367 -10.236 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.050 -15.245 -9.127 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.773 -15.623 -8.891 1.00 0.00 H new ATOM 686 N LEU A 44 -2.957 -11.682 -11.150 1.00 0.00 N ATOM 687 CA LEU A 44 -3.279 -10.594 -12.067 1.00 0.00 C ATOM 688 C LEU A 44 -3.042 -9.238 -11.408 1.00 0.00 C ATOM 689 O LEU A 44 -2.162 -8.483 -11.820 1.00 0.00 O ATOM 690 CB LEU A 44 -4.733 -10.702 -12.527 1.00 0.00 C ATOM 691 CG LEU A 44 -5.138 -12.032 -13.164 1.00 0.00 C ATOM 692 CD1 LEU A 44 -6.628 -12.047 -13.467 1.00 0.00 C ATOM 693 CD2 LEU A 44 -4.332 -12.285 -14.430 1.00 0.00 C ATOM 0 H LEU A 44 -3.741 -12.299 -10.937 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.623 -10.676 -12.934 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.379 -10.522 -11.668 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.926 -9.905 -13.244 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.924 -12.832 -12.455 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.898 -13.001 -13.920 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.189 -11.913 -12.542 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.867 -11.238 -14.157 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.634 -13.236 -14.869 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.514 -11.481 -15.144 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.271 -12.319 -14.185 1.00 0.00 H new ATOM 705 N GLN A 45 -3.831 -8.939 -10.381 1.00 0.00 N ATOM 706 CA GLN A 45 -3.706 -7.676 -9.664 1.00 0.00 C ATOM 707 C GLN A 45 -2.242 -7.350 -9.388 1.00 0.00 C ATOM 708 O GLN A 45 -1.777 -6.245 -9.667 1.00 0.00 O ATOM 709 CB GLN A 45 -4.485 -7.731 -8.350 1.00 0.00 C ATOM 710 CG GLN A 45 -5.968 -7.433 -8.508 1.00 0.00 C ATOM 711 CD GLN A 45 -6.818 -8.127 -7.463 1.00 0.00 C ATOM 712 OE1 GLN A 45 -6.429 -9.159 -6.915 1.00 0.00 O ATOM 713 NE2 GLN A 45 -7.987 -7.564 -7.181 1.00 0.00 N ATOM 0 H GLN A 45 -4.563 -9.554 -10.027 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.123 -6.888 -10.292 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.367 -8.721 -7.909 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.052 -7.016 -7.650 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.127 -6.357 -8.444 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.293 -7.744 -9.501 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.270 -6.709 -7.659 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.602 -7.987 -6.486 1.00 0.00 H new ATOM 722 N VAL A 46 -1.519 -8.320 -8.836 1.00 0.00 N ATOM 723 CA VAL A 46 -0.107 -8.136 -8.522 1.00 0.00 C ATOM 724 C VAL A 46 0.700 -7.826 -9.778 1.00 0.00 C ATOM 725 O VAL A 46 1.443 -6.846 -9.826 1.00 0.00 O ATOM 726 CB VAL A 46 0.483 -9.386 -7.841 1.00 0.00 C ATOM 727 CG1 VAL A 46 1.971 -9.202 -7.585 1.00 0.00 C ATOM 728 CG2 VAL A 46 -0.256 -9.686 -6.546 1.00 0.00 C ATOM 0 H VAL A 46 -1.888 -9.241 -8.597 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.042 -7.292 -7.835 1.00 0.00 H new ATOM 0 HB VAL A 46 0.356 -10.237 -8.510 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.370 -10.095 -7.104 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.486 -9.039 -8.532 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.125 -8.340 -6.936 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.174 -10.572 -6.079 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.163 -8.837 -5.869 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.310 -9.864 -6.761 1.00 0.00 H new ATOM 738 N LYS A 47 0.549 -8.669 -10.794 1.00 0.00 N ATOM 739 CA LYS A 47 1.262 -8.485 -12.053 1.00 0.00 C ATOM 740 C LYS A 47 1.218 -7.026 -12.495 1.00 0.00 C ATOM 741 O LYS A 47 2.254 -6.419 -12.769 1.00 0.00 O ATOM 742 CB LYS A 47 0.657 -9.376 -13.140 1.00 0.00 C ATOM 743 CG LYS A 47 1.203 -10.793 -13.138 1.00 0.00 C ATOM 744 CD LYS A 47 0.500 -11.663 -14.167 1.00 0.00 C ATOM 745 CE LYS A 47 1.005 -11.381 -15.574 1.00 0.00 C ATOM 746 NZ LYS A 47 2.383 -11.904 -15.784 1.00 0.00 N ATOM 0 H LYS A 47 -0.061 -9.486 -10.770 1.00 0.00 H new ATOM 0 HA LYS A 47 2.303 -8.768 -11.897 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.424 -9.412 -13.008 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.845 -8.925 -14.114 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.272 -10.772 -13.348 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.081 -11.230 -12.147 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.659 -12.714 -13.926 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.574 -11.485 -14.122 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.330 -11.835 -16.300 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.993 -10.306 -15.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.595 -11.924 -16.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.066 -11.287 -15.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.452 -12.867 -15.397 1.00 0.00 H new ATOM 760 N SER A 48 0.014 -6.467 -12.560 1.00 0.00 N ATOM 761 CA SER A 48 -0.164 -5.080 -12.971 1.00 0.00 C ATOM 762 C SER A 48 0.516 -4.131 -11.988 1.00 0.00 C ATOM 763 O SER A 48 1.508 -3.482 -12.320 1.00 0.00 O ATOM 764 CB SER A 48 -1.653 -4.743 -13.074 1.00 0.00 C ATOM 765 OG SER A 48 -1.855 -3.535 -13.787 1.00 0.00 O ATOM 0 H SER A 48 -0.853 -6.954 -12.333 1.00 0.00 H new ATOM 0 HA SER A 48 0.298 -4.955 -13.950 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.179 -5.556 -13.574 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.079 -4.654 -12.075 1.00 0.00 H new ATOM 0 HG SER A 48 -2.815 -3.343 -13.840 1.00 0.00 H new ATOM 771 N TYR A 49 -0.025 -4.056 -10.777 1.00 0.00 N ATOM 772 CA TYR A 49 0.527 -3.185 -9.746 1.00 0.00 C ATOM 773 C TYR A 49 2.047 -3.119 -9.846 1.00 0.00 C ATOM 774 O TYR A 49 2.637 -2.039 -9.807 1.00 0.00 O ATOM 775 CB TYR A 49 0.116 -3.679 -8.358 1.00 0.00 C ATOM 776 CG TYR A 49 0.956 -3.107 -7.239 1.00 0.00 C ATOM 777 CD1 TYR A 49 0.653 -1.872 -6.679 1.00 0.00 C ATOM 778 CD2 TYR A 49 2.052 -3.800 -6.742 1.00 0.00 C ATOM 779 CE1 TYR A 49 1.417 -1.344 -5.656 1.00 0.00 C ATOM 780 CE2 TYR A 49 2.821 -3.281 -5.718 1.00 0.00 C ATOM 781 CZ TYR A 49 2.500 -2.053 -5.179 1.00 0.00 C ATOM 782 OH TYR A 49 3.265 -1.532 -4.161 1.00 0.00 O ATOM 0 H TYR A 49 -0.845 -4.588 -10.485 1.00 0.00 H new ATOM 0 HA TYR A 49 0.127 -2.183 -9.900 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.929 -3.422 -8.185 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.185 -4.767 -8.333 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.195 -1.315 -7.050 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.308 -4.761 -7.163 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.168 -0.382 -5.232 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.669 -3.834 -5.342 1.00 0.00 H new ATOM 0 HH TYR A 49 3.942 -0.931 -4.535 1.00 0.00 H new ATOM 792 N ALA A 50 2.676 -4.283 -9.975 1.00 0.00 N ATOM 793 CA ALA A 50 4.128 -4.359 -10.082 1.00 0.00 C ATOM 794 C ALA A 50 4.681 -3.188 -10.889 1.00 0.00 C ATOM 795 O ALA A 50 5.627 -2.523 -10.467 1.00 0.00 O ATOM 796 CB ALA A 50 4.542 -5.679 -10.714 1.00 0.00 C ATOM 0 H ALA A 50 2.203 -5.186 -10.008 1.00 0.00 H new ATOM 0 HA ALA A 50 4.545 -4.303 -9.077 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.629 -5.722 -10.788 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.187 -6.505 -10.097 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.107 -5.757 -11.711 1.00 0.00 H new ATOM 802 N ARG A 51 4.085 -2.943 -12.051 1.00 0.00 N ATOM 803 CA ARG A 51 4.519 -1.854 -12.918 1.00 0.00 C ATOM 804 C ARG A 51 4.094 -0.504 -12.348 1.00 0.00 C ATOM 805 O ARG A 51 4.790 0.498 -12.515 1.00 0.00 O ATOM 806 CB ARG A 51 3.943 -2.031 -14.323 1.00 0.00 C ATOM 807 CG ARG A 51 2.590 -1.364 -14.516 1.00 0.00 C ATOM 808 CD ARG A 51 2.085 -1.530 -15.941 1.00 0.00 C ATOM 809 NE ARG A 51 0.847 -0.791 -16.171 1.00 0.00 N ATOM 810 CZ ARG A 51 0.038 -1.016 -17.201 1.00 0.00 C ATOM 811 NH1 ARG A 51 0.336 -1.954 -18.090 1.00 0.00 N ATOM 812 NH2 ARG A 51 -1.072 -0.303 -17.343 1.00 0.00 N ATOM 0 H ARG A 51 3.300 -3.484 -12.414 1.00 0.00 H new ATOM 0 HA ARG A 51 5.607 -1.879 -12.974 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.646 -1.623 -15.049 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.847 -3.096 -14.536 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.869 -1.794 -13.821 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.669 -0.303 -14.278 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.848 -1.185 -16.639 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.920 -2.588 -16.146 1.00 0.00 H new ATOM 0 HE ARG A 51 0.589 -0.063 -15.505 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.188 -2.505 -17.984 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.287 -2.125 -18.880 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.305 0.419 -16.661 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.692 -0.477 -18.134 1.00 0.00 H new ATOM 826 N GLN A 52 2.947 -0.485 -11.677 1.00 0.00 N ATOM 827 CA GLN A 52 2.428 0.742 -11.085 1.00 0.00 C ATOM 828 C GLN A 52 3.326 1.219 -9.948 1.00 0.00 C ATOM 829 O GLN A 52 3.406 2.415 -9.667 1.00 0.00 O ATOM 830 CB GLN A 52 1.005 0.523 -10.569 1.00 0.00 C ATOM 831 CG GLN A 52 0.145 1.776 -10.607 1.00 0.00 C ATOM 832 CD GLN A 52 0.330 2.649 -9.381 1.00 0.00 C ATOM 833 OE1 GLN A 52 0.472 2.149 -8.265 1.00 0.00 O ATOM 834 NE2 GLN A 52 0.330 3.961 -9.583 1.00 0.00 N ATOM 0 H GLN A 52 2.359 -1.306 -11.530 1.00 0.00 H new ATOM 0 HA GLN A 52 2.412 1.510 -11.858 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.527 -0.254 -11.165 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.052 0.155 -9.544 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.389 2.353 -11.499 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.904 1.490 -10.690 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.209 4.332 -10.525 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.451 4.598 -8.796 1.00 0.00 H new ATOM 843 N TYR A 53 4.000 0.277 -9.298 1.00 0.00 N ATOM 844 CA TYR A 53 4.890 0.601 -8.189 1.00 0.00 C ATOM 845 C TYR A 53 6.198 1.199 -8.698 1.00 0.00 C ATOM 846 O TYR A 53 6.594 2.292 -8.293 1.00 0.00 O ATOM 847 CB TYR A 53 5.177 -0.649 -7.356 1.00 0.00 C ATOM 848 CG TYR A 53 6.080 -0.393 -6.171 1.00 0.00 C ATOM 849 CD1 TYR A 53 5.782 0.601 -5.247 1.00 0.00 C ATOM 850 CD2 TYR A 53 7.233 -1.143 -5.975 1.00 0.00 C ATOM 851 CE1 TYR A 53 6.604 0.840 -4.163 1.00 0.00 C ATOM 852 CE2 TYR A 53 8.060 -0.913 -4.893 1.00 0.00 C ATOM 853 CZ TYR A 53 7.742 0.080 -3.990 1.00 0.00 C ATOM 854 OH TYR A 53 8.564 0.313 -2.912 1.00 0.00 O ATOM 0 H TYR A 53 3.947 -0.717 -9.520 1.00 0.00 H new ATOM 0 HA TYR A 53 4.393 1.341 -7.561 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.233 -1.063 -7.000 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.635 -1.404 -7.995 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.891 1.198 -5.379 1.00 0.00 H new ATOM 0 HD2 TYR A 53 7.487 -1.920 -6.681 1.00 0.00 H new ATOM 0 HE1 TYR A 53 6.357 1.617 -3.455 1.00 0.00 H new ATOM 0 HE2 TYR A 53 8.951 -1.508 -4.755 1.00 0.00 H new ATOM 0 HH TYR A 53 9.321 -0.309 -2.937 1.00 0.00 H new ATOM 864 N PHE A 54 6.866 0.473 -9.589 1.00 0.00 N ATOM 865 CA PHE A 54 8.130 0.930 -10.154 1.00 0.00 C ATOM 866 C PHE A 54 7.981 2.319 -10.767 1.00 0.00 C ATOM 867 O PHE A 54 8.953 3.067 -10.882 1.00 0.00 O ATOM 868 CB PHE A 54 8.625 -0.057 -11.214 1.00 0.00 C ATOM 869 CG PHE A 54 9.183 -1.327 -10.636 1.00 0.00 C ATOM 870 CD1 PHE A 54 10.105 -1.287 -9.603 1.00 0.00 C ATOM 871 CD2 PHE A 54 8.784 -2.560 -11.126 1.00 0.00 C ATOM 872 CE1 PHE A 54 10.620 -2.454 -9.069 1.00 0.00 C ATOM 873 CE2 PHE A 54 9.295 -3.730 -10.596 1.00 0.00 C ATOM 874 CZ PHE A 54 10.215 -3.677 -9.567 1.00 0.00 C ATOM 0 H PHE A 54 6.553 -0.434 -9.935 1.00 0.00 H new ATOM 0 HA PHE A 54 8.861 0.985 -9.348 1.00 0.00 H new ATOM 0 HB2 PHE A 54 7.801 -0.303 -11.883 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.393 0.426 -11.818 1.00 0.00 H new ATOM 0 HD1 PHE A 54 10.425 -0.333 -9.210 1.00 0.00 H new ATOM 0 HD2 PHE A 54 8.066 -2.608 -11.931 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.338 -2.409 -8.264 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.975 -4.685 -10.986 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.617 -4.590 -9.153 1.00 0.00 H new ATOM 884 N LYS A 55 6.758 2.658 -11.161 1.00 0.00 N ATOM 885 CA LYS A 55 6.480 3.956 -11.762 1.00 0.00 C ATOM 886 C LYS A 55 6.267 5.019 -10.688 1.00 0.00 C ATOM 887 O LYS A 55 7.060 5.950 -10.558 1.00 0.00 O ATOM 888 CB LYS A 55 5.244 3.871 -12.661 1.00 0.00 C ATOM 889 CG LYS A 55 5.025 5.109 -13.513 1.00 0.00 C ATOM 890 CD LYS A 55 4.150 4.808 -14.719 1.00 0.00 C ATOM 891 CE LYS A 55 2.672 4.933 -14.380 1.00 0.00 C ATOM 892 NZ LYS A 55 2.106 3.647 -13.888 1.00 0.00 N ATOM 0 H LYS A 55 5.943 2.051 -11.074 1.00 0.00 H new ATOM 0 HA LYS A 55 7.342 4.241 -12.365 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.339 3.003 -13.314 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.364 3.708 -12.039 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.560 5.889 -12.910 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.987 5.496 -13.848 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.398 5.493 -15.530 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.358 3.800 -15.078 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.537 5.703 -13.621 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.123 5.257 -15.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.067 3.688 -13.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.444 2.867 -14.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.411 3.486 -12.907 1.00 0.00 H new ATOM 906 N ASN A 56 5.193 4.871 -9.920 1.00 0.00 N ATOM 907 CA ASN A 56 4.877 5.818 -8.857 1.00 0.00 C ATOM 908 C ASN A 56 6.112 6.119 -8.013 1.00 0.00 C ATOM 909 O ASN A 56 6.199 7.166 -7.372 1.00 0.00 O ATOM 910 CB ASN A 56 3.760 5.265 -7.969 1.00 0.00 C ATOM 911 CG ASN A 56 3.850 5.775 -6.543 1.00 0.00 C ATOM 912 OD1 ASN A 56 3.741 6.976 -6.294 1.00 0.00 O ATOM 913 ND2 ASN A 56 4.048 4.862 -5.600 1.00 0.00 N ATOM 0 H ASN A 56 4.527 4.104 -10.014 1.00 0.00 H new ATOM 0 HA ASN A 56 4.539 6.746 -9.318 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.794 5.541 -8.391 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.807 4.176 -7.966 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.116 5.145 -4.622 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.132 3.877 -5.853 1.00 0.00 H new ATOM 920 N LYS A 57 7.065 5.193 -8.017 1.00 0.00 N ATOM 921 CA LYS A 57 8.296 5.358 -7.254 1.00 0.00 C ATOM 922 C LYS A 57 8.826 6.783 -7.377 1.00 0.00 C ATOM 923 O LYS A 57 8.798 7.552 -6.416 1.00 0.00 O ATOM 924 CB LYS A 57 9.356 4.365 -7.737 1.00 0.00 C ATOM 925 CG LYS A 57 9.253 2.999 -7.081 1.00 0.00 C ATOM 926 CD LYS A 57 10.051 2.938 -5.790 1.00 0.00 C ATOM 927 CE LYS A 57 9.399 3.764 -4.692 1.00 0.00 C ATOM 928 NZ LYS A 57 9.853 5.182 -4.720 1.00 0.00 N ATOM 0 H LYS A 57 7.008 4.320 -8.541 1.00 0.00 H new ATOM 0 HA LYS A 57 8.073 5.162 -6.205 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.267 4.248 -8.817 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.345 4.779 -7.542 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.207 2.772 -6.874 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.615 2.236 -7.770 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.138 1.902 -5.464 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.063 3.302 -5.969 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.315 3.727 -4.805 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.633 3.327 -3.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.341 5.408 -3.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.506 5.322 -5.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.030 5.808 -4.832 1.00 0.00 H new ATOM 942 N VAL A 58 9.307 7.130 -8.567 1.00 0.00 N ATOM 943 CA VAL A 58 9.840 8.464 -8.817 1.00 0.00 C ATOM 944 C VAL A 58 8.888 9.284 -9.680 1.00 0.00 C ATOM 945 O VAL A 58 9.158 10.444 -9.993 1.00 0.00 O ATOM 946 CB VAL A 58 11.215 8.399 -9.508 1.00 0.00 C ATOM 947 CG1 VAL A 58 11.828 9.787 -9.610 1.00 0.00 C ATOM 948 CG2 VAL A 58 12.142 7.451 -8.761 1.00 0.00 C ATOM 0 H VAL A 58 9.338 6.506 -9.373 1.00 0.00 H new ATOM 0 HA VAL A 58 9.952 8.947 -7.846 1.00 0.00 H new ATOM 0 HB VAL A 58 11.077 8.014 -10.518 1.00 0.00 H new ATOM 0 HG11 VAL A 58 12.799 9.721 -10.101 1.00 0.00 H new ATOM 0 HG12 VAL A 58 11.171 10.433 -10.192 1.00 0.00 H new ATOM 0 HG13 VAL A 58 11.954 10.203 -8.611 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.109 7.417 -9.263 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.276 7.804 -7.738 1.00 0.00 H new ATOM 0 HG23 VAL A 58 11.706 6.452 -8.746 1.00 0.00 H new ATOM 958 N LYS A 59 7.772 8.674 -10.063 1.00 0.00 N ATOM 959 CA LYS A 59 6.776 9.347 -10.890 1.00 0.00 C ATOM 960 C LYS A 59 5.439 8.615 -10.834 1.00 0.00 C ATOM 961 O LYS A 59 5.328 7.470 -11.275 1.00 0.00 O ATOM 962 CB LYS A 59 7.262 9.435 -12.338 1.00 0.00 C ATOM 963 CG LYS A 59 7.729 8.106 -12.905 1.00 0.00 C ATOM 964 CD LYS A 59 8.180 8.243 -14.350 1.00 0.00 C ATOM 965 CE LYS A 59 9.633 8.686 -14.440 1.00 0.00 C ATOM 966 NZ LYS A 59 10.195 8.469 -15.802 1.00 0.00 N ATOM 0 H LYS A 59 7.534 7.714 -9.814 1.00 0.00 H new ATOM 0 HA LYS A 59 6.635 10.355 -10.499 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.455 9.822 -12.960 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.081 10.152 -12.395 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.551 7.721 -12.301 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.920 7.379 -12.843 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.057 7.289 -14.863 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.546 8.965 -14.864 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.708 9.742 -14.180 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.227 8.135 -13.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.186 8.783 -15.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.147 7.458 -16.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.645 9.014 -16.496 1.00 0.00 H new ATOM 980 N CYS A 60 4.427 9.283 -10.293 1.00 0.00 N ATOM 981 CA CYS A 60 3.096 8.696 -10.181 1.00 0.00 C ATOM 982 C CYS A 60 2.105 9.419 -11.088 1.00 0.00 C ATOM 983 O CYS A 60 2.165 10.638 -11.243 1.00 0.00 O ATOM 984 CB CYS A 60 2.612 8.750 -8.731 1.00 0.00 C ATOM 985 SG CYS A 60 2.488 10.423 -8.056 1.00 0.00 S ATOM 0 H CYS A 60 4.502 10.231 -9.925 1.00 0.00 H new ATOM 0 HA CYS A 60 3.157 7.655 -10.497 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.635 8.271 -8.667 1.00 0.00 H new ATOM 0 HB3 CYS A 60 3.293 8.169 -8.110 1.00 0.00 H new ATOM 0 HG CYS A 60 2.305 11.270 -9.025 1.00 0.00 H new ATOM 991 N GLY A 61 1.194 8.657 -11.686 1.00 0.00 N ATOM 992 CA GLY A 61 0.205 9.242 -12.572 1.00 0.00 C ATOM 993 C GLY A 61 -0.654 10.280 -11.877 1.00 0.00 C ATOM 994 O GLY A 61 -0.277 11.450 -11.790 1.00 0.00 O ATOM 0 H GLY A 61 1.123 7.646 -11.573 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.710 9.702 -13.421 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.434 8.453 -12.970 1.00 0.00 H new ATOM 998 N LEU A 62 -1.811 9.855 -11.383 1.00 0.00 N ATOM 999 CA LEU A 62 -2.726 10.757 -10.693 1.00 0.00 C ATOM 1000 C LEU A 62 -2.731 10.486 -9.192 1.00 0.00 C ATOM 1001 O LEU A 62 -3.633 9.828 -8.673 1.00 0.00 O ATOM 1002 CB LEU A 62 -4.141 10.606 -11.255 1.00 0.00 C ATOM 1003 CG LEU A 62 -4.697 9.182 -11.300 1.00 0.00 C ATOM 1004 CD1 LEU A 62 -6.216 9.199 -11.218 1.00 0.00 C ATOM 1005 CD2 LEU A 62 -4.237 8.470 -12.564 1.00 0.00 C ATOM 0 H LEU A 62 -2.138 8.891 -11.447 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.383 11.778 -10.857 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.815 11.219 -10.657 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.154 11.012 -12.267 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.314 8.635 -10.439 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.594 8.177 -11.251 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.525 9.670 -10.285 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.619 9.763 -12.059 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.642 7.458 -12.579 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.591 9.016 -13.438 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.148 8.425 -12.581 1.00 0.00 H new ATOM 1017 N ASP A 63 -1.719 10.998 -8.501 1.00 0.00 N ATOM 1018 CA ASP A 63 -1.607 10.814 -7.059 1.00 0.00 C ATOM 1019 C ASP A 63 -0.685 11.863 -6.447 1.00 0.00 C ATOM 1020 O ASP A 63 0.006 12.591 -7.160 1.00 0.00 O ATOM 1021 CB ASP A 63 -1.086 9.411 -6.741 1.00 0.00 C ATOM 1022 CG ASP A 63 -2.151 8.346 -6.911 1.00 0.00 C ATOM 1023 OD1 ASP A 63 -3.134 8.360 -6.141 1.00 0.00 O ATOM 1024 OD2 ASP A 63 -2.001 7.498 -7.816 1.00 0.00 O ATOM 0 H ASP A 63 -0.964 11.544 -8.916 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.600 10.932 -6.625 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.242 9.184 -7.392 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.714 9.388 -5.717 1.00 0.00 H new ATOM 1029 N LYS A 64 -0.680 11.938 -5.120 1.00 0.00 N ATOM 1030 CA LYS A 64 0.157 12.898 -4.410 1.00 0.00 C ATOM 1031 C LYS A 64 1.057 12.193 -3.401 1.00 0.00 C ATOM 1032 O LYS A 64 0.582 11.663 -2.397 1.00 0.00 O ATOM 1033 CB LYS A 64 -0.713 13.935 -3.697 1.00 0.00 C ATOM 1034 CG LYS A 64 -1.528 14.800 -4.643 1.00 0.00 C ATOM 1035 CD LYS A 64 -0.648 15.777 -5.403 1.00 0.00 C ATOM 1036 CE LYS A 64 -1.405 16.437 -6.546 1.00 0.00 C ATOM 1037 NZ LYS A 64 -0.533 17.351 -7.334 1.00 0.00 N ATOM 0 H LYS A 64 -1.247 11.345 -4.514 1.00 0.00 H new ATOM 0 HA LYS A 64 0.788 13.403 -5.141 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.390 13.421 -3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.074 14.577 -3.090 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.062 14.165 -5.349 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.280 15.350 -4.078 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.278 16.542 -4.720 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.223 15.253 -5.797 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.813 15.669 -7.203 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.251 16.997 -6.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.086 17.781 -8.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.163 18.099 -6.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.260 16.812 -7.737 1.00 0.00 H new ATOM 1051 N GLU A 65 2.358 12.194 -3.673 1.00 0.00 N ATOM 1052 CA GLU A 65 3.324 11.554 -2.787 1.00 0.00 C ATOM 1053 C GLU A 65 4.626 12.349 -2.737 1.00 0.00 C ATOM 1054 O GLU A 65 5.044 12.943 -3.732 1.00 0.00 O ATOM 1055 CB GLU A 65 3.605 10.123 -3.250 1.00 0.00 C ATOM 1056 CG GLU A 65 4.140 9.222 -2.150 1.00 0.00 C ATOM 1057 CD GLU A 65 3.775 7.765 -2.360 1.00 0.00 C ATOM 1058 OE1 GLU A 65 2.628 7.388 -2.041 1.00 0.00 O ATOM 1059 OE2 GLU A 65 4.637 7.002 -2.845 1.00 0.00 O ATOM 0 H GLU A 65 2.767 12.630 -4.499 1.00 0.00 H new ATOM 0 HA GLU A 65 2.896 11.526 -1.785 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.686 9.691 -3.647 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.324 10.149 -4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.225 9.318 -2.103 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.748 9.556 -1.189 1.00 0.00 H new ATOM 1066 N THR A 66 5.264 12.356 -1.571 1.00 0.00 N ATOM 1067 CA THR A 66 6.516 13.078 -1.389 1.00 0.00 C ATOM 1068 C THR A 66 7.658 12.395 -2.133 1.00 0.00 C ATOM 1069 O THR A 66 7.719 11.170 -2.234 1.00 0.00 O ATOM 1070 CB THR A 66 6.887 13.194 0.102 1.00 0.00 C ATOM 1071 OG1 THR A 66 6.886 11.897 0.709 1.00 0.00 O ATOM 1072 CG2 THR A 66 5.911 14.102 0.834 1.00 0.00 C ATOM 0 H THR A 66 4.933 11.869 -0.738 1.00 0.00 H new ATOM 0 HA THR A 66 6.366 14.077 -1.797 1.00 0.00 H new ATOM 0 HB THR A 66 7.885 13.628 0.173 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.124 11.979 1.656 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.194 14.168 1.885 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.935 15.096 0.388 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.904 13.693 0.754 1.00 0.00 H new ATOM 1080 N PRO A 67 8.585 13.204 -2.667 1.00 0.00 N ATOM 1081 CA PRO A 67 9.743 12.699 -3.411 1.00 0.00 C ATOM 1082 C PRO A 67 10.744 11.984 -2.510 1.00 0.00 C ATOM 1083 O PRO A 67 11.068 12.464 -1.424 1.00 0.00 O ATOM 1084 CB PRO A 67 10.365 13.966 -4.002 1.00 0.00 C ATOM 1085 CG PRO A 67 9.939 15.060 -3.086 1.00 0.00 C ATOM 1086 CD PRO A 67 8.575 14.674 -2.585 1.00 0.00 C ATOM 0 HA PRO A 67 9.456 11.960 -4.159 1.00 0.00 H new ATOM 0 HB2 PRO A 67 11.451 13.889 -4.048 1.00 0.00 H new ATOM 0 HB3 PRO A 67 10.014 14.142 -5.019 1.00 0.00 H new ATOM 0 HG2 PRO A 67 10.641 15.172 -2.260 1.00 0.00 H new ATOM 0 HG3 PRO A 67 9.907 16.016 -3.609 1.00 0.00 H new ATOM 0 HD2 PRO A 67 8.410 15.018 -1.564 1.00 0.00 H new ATOM 0 HD3 PRO A 67 7.784 15.105 -3.199 1.00 0.00 H new ATOM 1094 N ASN A 68 11.231 10.835 -2.967 1.00 0.00 N ATOM 1095 CA ASN A 68 12.195 10.054 -2.202 1.00 0.00 C ATOM 1096 C ASN A 68 13.075 9.219 -3.126 1.00 0.00 C ATOM 1097 O ASN A 68 12.660 8.846 -4.223 1.00 0.00 O ATOM 1098 CB ASN A 68 11.472 9.144 -1.207 1.00 0.00 C ATOM 1099 CG ASN A 68 12.379 8.677 -0.085 1.00 0.00 C ATOM 1100 OD1 ASN A 68 12.514 7.479 0.161 1.00 0.00 O ATOM 1101 ND2 ASN A 68 13.005 9.625 0.603 1.00 0.00 N ATOM 0 H ASN A 68 10.973 10.424 -3.864 1.00 0.00 H new ATOM 0 HA ASN A 68 12.832 10.747 -1.653 1.00 0.00 H new ATOM 0 HB2 ASN A 68 10.620 9.677 -0.784 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.075 8.277 -1.734 1.00 0.00 H new ATOM 0 HD21 ASN A 68 13.627 9.372 1.370 1.00 0.00 H new ATOM 0 HD22 ASN A 68 12.863 10.606 0.364 1.00 0.00 H new ATOM 1108 N GLN A 69 14.291 8.928 -2.674 1.00 0.00 N ATOM 1109 CA GLN A 69 15.229 8.137 -3.461 1.00 0.00 C ATOM 1110 C GLN A 69 14.750 6.694 -3.590 1.00 0.00 C ATOM 1111 O GLN A 69 13.973 6.211 -2.766 1.00 0.00 O ATOM 1112 CB GLN A 69 16.619 8.170 -2.823 1.00 0.00 C ATOM 1113 CG GLN A 69 17.253 9.552 -2.819 1.00 0.00 C ATOM 1114 CD GLN A 69 18.360 9.683 -1.792 1.00 0.00 C ATOM 1115 OE1 GLN A 69 18.332 9.035 -0.745 1.00 0.00 O ATOM 1116 NE2 GLN A 69 19.344 10.525 -2.086 1.00 0.00 N ATOM 0 H GLN A 69 14.649 9.228 -1.767 1.00 0.00 H new ATOM 0 HA GLN A 69 15.285 8.573 -4.458 1.00 0.00 H new ATOM 0 HB2 GLN A 69 16.548 7.809 -1.797 1.00 0.00 H new ATOM 0 HB3 GLN A 69 17.272 7.481 -3.359 1.00 0.00 H new ATOM 0 HG2 GLN A 69 17.654 9.766 -3.810 1.00 0.00 H new ATOM 0 HG3 GLN A 69 16.485 10.299 -2.618 1.00 0.00 H new ATOM 0 HE21 GLN A 69 19.327 11.042 -2.965 1.00 0.00 H new ATOM 0 HE22 GLN A 69 20.116 10.655 -1.433 1.00 0.00 H new ATOM 1125 N LYS A 70 15.219 6.011 -4.628 1.00 0.00 N ATOM 1126 CA LYS A 70 14.841 4.623 -4.865 1.00 0.00 C ATOM 1127 C LYS A 70 15.851 3.668 -4.236 1.00 0.00 C ATOM 1128 O LYS A 70 17.055 3.926 -4.247 1.00 0.00 O ATOM 1129 CB LYS A 70 14.733 4.351 -6.367 1.00 0.00 C ATOM 1130 CG LYS A 70 16.037 4.556 -7.117 1.00 0.00 C ATOM 1131 CD LYS A 70 15.805 4.690 -8.613 1.00 0.00 C ATOM 1132 CE LYS A 70 15.823 3.335 -9.303 1.00 0.00 C ATOM 1133 NZ LYS A 70 15.124 3.372 -10.617 1.00 0.00 N ATOM 0 H LYS A 70 15.862 6.396 -5.319 1.00 0.00 H new ATOM 0 HA LYS A 70 13.870 4.454 -4.401 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.393 3.326 -6.519 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.972 5.005 -6.792 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.536 5.450 -6.744 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.704 3.716 -6.925 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.847 5.178 -8.791 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.574 5.330 -9.046 1.00 0.00 H new ATOM 0 HE2 LYS A 70 16.855 3.016 -9.450 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.348 2.594 -8.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.158 2.429 -11.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.132 3.652 -10.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.592 4.061 -11.240 1.00 0.00 H new ATOM 1147 N THR A 71 15.354 2.563 -3.690 1.00 0.00 N ATOM 1148 CA THR A 71 16.212 1.570 -3.057 1.00 0.00 C ATOM 1149 C THR A 71 17.045 0.823 -4.093 1.00 0.00 C ATOM 1150 O THR A 71 16.561 0.500 -5.177 1.00 0.00 O ATOM 1151 CB THR A 71 15.390 0.551 -2.246 1.00 0.00 C ATOM 1152 OG1 THR A 71 14.547 1.235 -1.312 1.00 0.00 O ATOM 1153 CG2 THR A 71 16.303 -0.411 -1.502 1.00 0.00 C ATOM 0 H THR A 71 14.360 2.333 -3.674 1.00 0.00 H new ATOM 0 HA THR A 71 16.875 2.111 -2.382 1.00 0.00 H new ATOM 0 HB THR A 71 14.774 -0.021 -2.940 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.026 0.581 -0.801 1.00 0.00 H new ATOM 0 HG21 THR A 71 15.700 -1.121 -0.936 1.00 0.00 H new ATOM 0 HG22 THR A 71 16.923 -0.951 -2.217 1.00 0.00 H new ATOM 0 HG23 THR A 71 16.941 0.148 -0.818 1.00 0.00 H new ATOM 1161 N GLY A 72 18.301 0.551 -3.752 1.00 0.00 N ATOM 1162 CA GLY A 72 19.181 -0.156 -4.664 1.00 0.00 C ATOM 1163 C GLY A 72 19.102 0.380 -6.080 1.00 0.00 C ATOM 1164 O GLY A 72 19.636 -0.223 -7.010 1.00 0.00 O ATOM 0 H GLY A 72 18.725 0.808 -2.860 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.208 -0.078 -4.306 1.00 0.00 H new ATOM 0 HA3 GLY A 72 18.923 -1.215 -4.665 1.00 0.00 H new TER 1168 GLY A 72