USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 716 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 23 TYR OH : rot 119:sc= 0.0455 USER MOD Set 1.2: A 27 HIS : no HD1:sc= -7.34! C(o=-7.3!,f=-7.5!) 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 SER OG : rot 180:sc= 0 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 173:sc= 0 (180deg=-0.0935) USER MOD Single : A 19 LYS NZ :NH3+ 156:sc= 1.91 (180deg=0.795) USER MOD Single : A 21 ASN : amide:sc= -0.988 K(o=-0.99,f=-3.2!) USER MOD Single : A 22 LYS NZ :NH3+ 166:sc= -0.0157 (180deg=-0.205) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 26 MET CE :methyl -149:sc= -0.102 (180deg=-1.41) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 120:sc= -2.12 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0881 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -3.41! C(o=-3.4!,f=-3.8!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0638 USER MOD Single : A 50 GLN : amide:sc= -0.545 K(o=-0.54,f=-3.4!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0361 USER MOD Single : A 66 LYS NZ :NH3+ 152:sc= -0.544 (180deg=-1.61!) USER MOD Single : A 67 GLN : amide:sc= -0.842 X(o=-0.84,f=-0.38) USER MOD Single : A 71 ASN : amide:sc= -3 K(o=-3,f=-8.7!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 85 ASN : amide:sc= -0.0797 K(o=-0.08,f=0.78) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 CYS SG : rot 180:sc=-0.00256 USER MOD Single : A 90 HIS : no HD1:sc= -0.0285 X(o=-0.029,f=-0.43) USER MOD Single : A 91 THR OG1 : rot 33:sc= 0.713 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 36:sc= 0.582 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.179 10.090 12.164 1.00 0.00 N ATOM 2 CA GLY A 1 27.656 11.444 12.156 1.00 0.00 C ATOM 3 C GLY A 1 28.383 12.341 11.173 1.00 0.00 C ATOM 4 O GLY A 1 29.232 13.142 11.563 1.00 0.00 O ATOM 0 H1 GLY A 1 27.649 9.517 12.852 1.00 0.00 H new ATOM 0 H2 GLY A 1 28.079 9.674 11.216 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.184 10.108 12.430 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.596 11.419 11.905 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.736 11.867 13.157 1.00 0.00 H new ATOM 8 N SER A 2 28.051 12.205 9.893 1.00 0.00 N ATOM 9 CA SER A 2 28.682 13.005 8.850 1.00 0.00 C ATOM 10 C SER A 2 27.632 13.692 7.982 1.00 0.00 C ATOM 11 O SER A 2 26.452 13.344 8.024 1.00 0.00 O ATOM 12 CB SER A 2 29.585 12.129 7.981 1.00 0.00 C ATOM 13 OG SER A 2 30.617 12.894 7.383 1.00 0.00 O ATOM 0 H SER A 2 27.348 11.548 9.553 1.00 0.00 H new ATOM 0 HA SER A 2 29.288 13.772 9.332 1.00 0.00 H new ATOM 0 HB2 SER A 2 30.021 11.336 8.589 1.00 0.00 H new ATOM 0 HB3 SER A 2 28.991 11.646 7.206 1.00 0.00 H new ATOM 0 HG SER A 2 31.181 12.310 6.834 1.00 0.00 H new ATOM 19 N SER A 3 28.071 14.669 7.195 1.00 0.00 N ATOM 20 CA SER A 3 27.169 15.408 6.319 1.00 0.00 C ATOM 21 C SER A 3 27.505 15.152 4.853 1.00 0.00 C ATOM 22 O SER A 3 28.620 14.750 4.521 1.00 0.00 O ATOM 23 CB SER A 3 27.248 16.907 6.618 1.00 0.00 C ATOM 24 OG SER A 3 28.581 17.377 6.517 1.00 0.00 O ATOM 0 H SER A 3 29.045 14.967 7.146 1.00 0.00 H new ATOM 0 HA SER A 3 26.153 15.060 6.507 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.612 17.454 5.922 1.00 0.00 H new ATOM 0 HB3 SER A 3 26.865 17.102 7.620 1.00 0.00 H new ATOM 0 HG SER A 3 28.605 18.337 6.711 1.00 0.00 H new ATOM 30 N GLY A 4 26.532 15.388 3.979 1.00 0.00 N ATOM 31 CA GLY A 4 26.743 15.178 2.559 1.00 0.00 C ATOM 32 C GLY A 4 26.076 13.913 2.055 1.00 0.00 C ATOM 33 O GLY A 4 25.069 13.471 2.608 1.00 0.00 O ATOM 0 H GLY A 4 25.601 15.721 4.229 1.00 0.00 H new ATOM 0 HA2 GLY A 4 26.356 16.034 2.007 1.00 0.00 H new ATOM 0 HA3 GLY A 4 27.813 15.126 2.357 1.00 0.00 H new ATOM 37 N SER A 5 26.637 13.330 1.000 1.00 0.00 N ATOM 38 CA SER A 5 26.087 12.111 0.418 1.00 0.00 C ATOM 39 C SER A 5 26.466 10.892 1.253 1.00 0.00 C ATOM 40 O SER A 5 27.641 10.656 1.532 1.00 0.00 O ATOM 41 CB SER A 5 26.588 11.936 -1.017 1.00 0.00 C ATOM 42 OG SER A 5 25.982 12.876 -1.887 1.00 0.00 O ATOM 0 H SER A 5 27.472 13.682 0.531 1.00 0.00 H new ATOM 0 HA SER A 5 25.001 12.200 0.408 1.00 0.00 H new ATOM 0 HB2 SER A 5 27.671 12.056 -1.045 1.00 0.00 H new ATOM 0 HB3 SER A 5 26.370 10.925 -1.361 1.00 0.00 H new ATOM 0 HG SER A 5 26.320 12.744 -2.797 1.00 0.00 H new ATOM 48 N SER A 6 25.459 10.119 1.650 1.00 0.00 N ATOM 49 CA SER A 6 25.684 8.925 2.456 1.00 0.00 C ATOM 50 C SER A 6 25.064 7.698 1.795 1.00 0.00 C ATOM 51 O SER A 6 23.930 7.741 1.321 1.00 0.00 O ATOM 52 CB SER A 6 25.101 9.113 3.858 1.00 0.00 C ATOM 53 OG SER A 6 23.827 9.731 3.801 1.00 0.00 O ATOM 0 H SER A 6 24.480 10.299 1.426 1.00 0.00 H new ATOM 0 HA SER A 6 26.760 8.768 2.536 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.018 8.146 4.354 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.777 9.721 4.458 1.00 0.00 H new ATOM 0 HG SER A 6 23.475 9.839 4.709 1.00 0.00 H new ATOM 59 N GLY A 7 25.818 6.603 1.769 1.00 0.00 N ATOM 60 CA GLY A 7 25.326 5.379 1.164 1.00 0.00 C ATOM 61 C GLY A 7 25.379 4.200 2.116 1.00 0.00 C ATOM 62 O GLY A 7 26.435 3.882 2.662 1.00 0.00 O ATOM 0 H GLY A 7 26.760 6.542 2.156 1.00 0.00 H new ATOM 0 HA2 GLY A 7 24.298 5.529 0.833 1.00 0.00 H new ATOM 0 HA3 GLY A 7 25.917 5.153 0.277 1.00 0.00 H new ATOM 66 N MET A 8 24.236 3.552 2.317 1.00 0.00 N ATOM 67 CA MET A 8 24.158 2.402 3.210 1.00 0.00 C ATOM 68 C MET A 8 22.782 1.747 3.134 1.00 0.00 C ATOM 69 O MET A 8 21.785 2.409 2.845 1.00 0.00 O ATOM 70 CB MET A 8 24.455 2.826 4.649 1.00 0.00 C ATOM 71 CG MET A 8 24.797 1.663 5.567 1.00 0.00 C ATOM 72 SD MET A 8 26.526 1.168 5.445 1.00 0.00 S ATOM 73 CE MET A 8 27.116 1.592 7.082 1.00 0.00 C ATOM 0 H MET A 8 23.352 3.803 1.874 1.00 0.00 H new ATOM 0 HA MET A 8 24.905 1.675 2.892 1.00 0.00 H new ATOM 0 HB2 MET A 8 25.285 3.533 4.647 1.00 0.00 H new ATOM 0 HB3 MET A 8 23.589 3.352 5.050 1.00 0.00 H new ATOM 0 HG2 MET A 8 24.574 1.941 6.597 1.00 0.00 H new ATOM 0 HG3 MET A 8 24.161 0.812 5.322 1.00 0.00 H new ATOM 0 HE1 MET A 8 28.174 1.344 7.163 1.00 0.00 H new ATOM 0 HE2 MET A 8 26.979 2.660 7.253 1.00 0.00 H new ATOM 0 HE3 MET A 8 26.554 1.031 7.828 1.00 0.00 H new ATOM 83 N ALA A 9 22.735 0.445 3.394 1.00 0.00 N ATOM 84 CA ALA A 9 21.481 -0.297 3.357 1.00 0.00 C ATOM 85 C ALA A 9 20.762 -0.228 4.700 1.00 0.00 C ATOM 86 O ALA A 9 21.394 -0.266 5.756 1.00 0.00 O ATOM 87 CB ALA A 9 21.737 -1.745 2.967 1.00 0.00 C ATOM 0 H ALA A 9 23.551 -0.118 3.633 1.00 0.00 H new ATOM 0 HA ALA A 9 20.837 0.162 2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 9 20.792 -2.288 2.943 1.00 0.00 H new ATOM 0 HB2 ALA A 9 22.200 -1.780 1.981 1.00 0.00 H new ATOM 0 HB3 ALA A 9 22.402 -2.206 3.697 1.00 0.00 H new ATOM 93 N SER A 10 19.438 -0.125 4.652 1.00 0.00 N ATOM 94 CA SER A 10 18.633 -0.046 5.865 1.00 0.00 C ATOM 95 C SER A 10 17.524 -1.094 5.851 1.00 0.00 C ATOM 96 O SER A 10 17.114 -1.565 4.790 1.00 0.00 O ATOM 97 CB SER A 10 18.028 1.352 6.011 1.00 0.00 C ATOM 98 OG SER A 10 18.945 2.244 6.619 1.00 0.00 O ATOM 0 H SER A 10 18.900 -0.094 3.786 1.00 0.00 H new ATOM 0 HA SER A 10 19.284 -0.243 6.717 1.00 0.00 H new ATOM 0 HB2 SER A 10 17.742 1.732 5.030 1.00 0.00 H new ATOM 0 HB3 SER A 10 17.118 1.297 6.609 1.00 0.00 H new ATOM 0 HG SER A 10 18.535 3.130 6.699 1.00 0.00 H new ATOM 104 N ASP A 11 17.043 -1.453 7.036 1.00 0.00 N ATOM 105 CA ASP A 11 15.981 -2.444 7.162 1.00 0.00 C ATOM 106 C ASP A 11 14.769 -1.854 7.875 1.00 0.00 C ATOM 107 O ASP A 11 14.625 -1.986 9.091 1.00 0.00 O ATOM 108 CB ASP A 11 16.487 -3.672 7.920 1.00 0.00 C ATOM 109 CG ASP A 11 17.739 -4.261 7.300 1.00 0.00 C ATOM 110 OD1 ASP A 11 17.805 -4.338 6.055 1.00 0.00 O ATOM 111 OD2 ASP A 11 18.654 -4.643 8.059 1.00 0.00 O ATOM 0 H ASP A 11 17.372 -1.072 7.923 1.00 0.00 H new ATOM 0 HA ASP A 11 15.679 -2.745 6.159 1.00 0.00 H new ATOM 0 HB2 ASP A 11 16.692 -3.397 8.955 1.00 0.00 H new ATOM 0 HB3 ASP A 11 15.704 -4.430 7.941 1.00 0.00 H new ATOM 116 N THR A 12 13.898 -1.202 7.111 1.00 0.00 N ATOM 117 CA THR A 12 12.700 -0.589 7.670 1.00 0.00 C ATOM 118 C THR A 12 11.485 -1.491 7.487 1.00 0.00 C ATOM 119 O THR A 12 11.271 -2.077 6.425 1.00 0.00 O ATOM 120 CB THR A 12 12.413 0.778 7.021 1.00 0.00 C ATOM 121 OG1 THR A 12 13.621 1.541 6.931 1.00 0.00 O ATOM 122 CG2 THR A 12 11.377 1.551 7.824 1.00 0.00 C ATOM 0 H THR A 12 14.000 -1.085 6.103 1.00 0.00 H new ATOM 0 HA THR A 12 12.886 -0.445 8.734 1.00 0.00 H new ATOM 0 HB THR A 12 12.018 0.605 6.020 1.00 0.00 H new ATOM 0 HG1 THR A 12 13.430 2.408 6.516 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.190 2.513 7.347 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.449 0.981 7.866 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.748 1.714 8.836 1.00 0.00 H new ATOM 130 N PRO A 13 10.668 -1.608 8.545 1.00 0.00 N ATOM 131 CA PRO A 13 9.459 -2.437 8.524 1.00 0.00 C ATOM 132 C PRO A 13 8.373 -1.855 7.626 1.00 0.00 C ATOM 133 O PRO A 13 7.820 -2.550 6.775 1.00 0.00 O ATOM 134 CB PRO A 13 9.003 -2.434 9.985 1.00 0.00 C ATOM 135 CG PRO A 13 9.559 -1.174 10.554 1.00 0.00 C ATOM 136 CD PRO A 13 10.862 -0.939 9.842 1.00 0.00 C ATOM 0 HA PRO A 13 9.654 -3.433 8.125 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.916 -2.456 10.060 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.377 -3.308 10.518 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.874 -0.340 10.400 1.00 0.00 H new ATOM 0 HG3 PRO A 13 9.713 -1.266 11.629 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.066 0.125 9.719 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.702 -1.364 10.391 1.00 0.00 H new ATOM 144 N GLY A 14 8.073 -0.575 7.821 1.00 0.00 N ATOM 145 CA GLY A 14 7.054 0.079 7.020 1.00 0.00 C ATOM 146 C GLY A 14 7.460 1.474 6.590 1.00 0.00 C ATOM 147 O GLY A 14 6.894 2.464 7.054 1.00 0.00 O ATOM 0 H GLY A 14 8.517 0.021 8.519 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.848 -0.525 6.136 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.127 0.134 7.591 1.00 0.00 H new ATOM 151 N PHE A 15 8.446 1.554 5.702 1.00 0.00 N ATOM 152 CA PHE A 15 8.930 2.839 5.211 1.00 0.00 C ATOM 153 C PHE A 15 7.824 3.593 4.478 1.00 0.00 C ATOM 154 O PHE A 15 7.523 4.743 4.800 1.00 0.00 O ATOM 155 CB PHE A 15 10.127 2.636 4.281 1.00 0.00 C ATOM 156 CG PHE A 15 10.902 3.895 4.016 1.00 0.00 C ATOM 157 CD1 PHE A 15 11.834 4.357 4.932 1.00 0.00 C ATOM 158 CD2 PHE A 15 10.698 4.617 2.851 1.00 0.00 C ATOM 159 CE1 PHE A 15 12.547 5.516 4.691 1.00 0.00 C ATOM 160 CE2 PHE A 15 11.409 5.777 2.605 1.00 0.00 C ATOM 161 CZ PHE A 15 12.335 6.226 3.525 1.00 0.00 C ATOM 0 H PHE A 15 8.925 0.744 5.308 1.00 0.00 H new ATOM 0 HA PHE A 15 9.243 3.433 6.070 1.00 0.00 H new ATOM 0 HB2 PHE A 15 10.795 1.893 4.718 1.00 0.00 H new ATOM 0 HB3 PHE A 15 9.775 2.229 3.333 1.00 0.00 H new ATOM 0 HD1 PHE A 15 12.005 3.805 5.844 1.00 0.00 H new ATOM 0 HD2 PHE A 15 9.976 4.270 2.127 1.00 0.00 H new ATOM 0 HE1 PHE A 15 13.269 5.866 5.413 1.00 0.00 H new ATOM 0 HE2 PHE A 15 11.240 6.331 1.694 1.00 0.00 H new ATOM 0 HZ PHE A 15 12.893 7.131 3.334 1.00 0.00 H new ATOM 171 N TYR A 16 7.224 2.938 3.491 1.00 0.00 N ATOM 172 CA TYR A 16 6.154 3.546 2.709 1.00 0.00 C ATOM 173 C TYR A 16 4.954 3.875 3.592 1.00 0.00 C ATOM 174 O TYR A 16 4.342 4.934 3.455 1.00 0.00 O ATOM 175 CB TYR A 16 5.727 2.610 1.577 1.00 0.00 C ATOM 176 CG TYR A 16 6.605 2.704 0.350 1.00 0.00 C ATOM 177 CD1 TYR A 16 6.700 3.886 -0.373 1.00 0.00 C ATOM 178 CD2 TYR A 16 7.342 1.609 -0.086 1.00 0.00 C ATOM 179 CE1 TYR A 16 7.501 3.976 -1.495 1.00 0.00 C ATOM 180 CE2 TYR A 16 8.147 1.689 -1.206 1.00 0.00 C ATOM 181 CZ TYR A 16 8.223 2.875 -1.907 1.00 0.00 C ATOM 182 OH TYR A 16 9.023 2.960 -3.023 1.00 0.00 O ATOM 0 H TYR A 16 7.460 1.985 3.213 1.00 0.00 H new ATOM 0 HA TYR A 16 6.533 4.474 2.281 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.737 1.583 1.943 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.699 2.839 1.296 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.138 4.750 -0.052 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.284 0.679 0.460 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.562 4.903 -2.046 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.713 0.829 -1.531 1.00 0.00 H new ATOM 0 HH TYR A 16 9.463 2.098 -3.176 1.00 0.00 H new ATOM 192 N MET A 17 4.626 2.961 4.498 1.00 0.00 N ATOM 193 CA MET A 17 3.501 3.154 5.406 1.00 0.00 C ATOM 194 C MET A 17 3.616 4.487 6.138 1.00 0.00 C ATOM 195 O MET A 17 2.611 5.079 6.532 1.00 0.00 O ATOM 196 CB MET A 17 3.430 2.008 6.416 1.00 0.00 C ATOM 197 CG MET A 17 2.820 0.736 5.850 1.00 0.00 C ATOM 198 SD MET A 17 3.135 -0.706 6.886 1.00 0.00 S ATOM 199 CE MET A 17 2.253 -0.251 8.377 1.00 0.00 C ATOM 0 H MET A 17 5.123 2.079 4.624 1.00 0.00 H new ATOM 0 HA MET A 17 2.586 3.163 4.814 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.435 1.790 6.777 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.845 2.330 7.278 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.744 0.871 5.740 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.222 0.557 4.853 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.248 -1.094 9.069 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.746 0.601 8.846 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.227 0.017 8.125 1.00 0.00 H new ATOM 209 N ASP A 18 4.847 4.953 6.318 1.00 0.00 N ATOM 210 CA ASP A 18 5.094 6.217 7.004 1.00 0.00 C ATOM 211 C ASP A 18 4.747 7.399 6.104 1.00 0.00 C ATOM 212 O ASP A 18 4.227 8.414 6.567 1.00 0.00 O ATOM 213 CB ASP A 18 6.556 6.306 7.444 1.00 0.00 C ATOM 214 CG ASP A 18 6.794 5.658 8.793 1.00 0.00 C ATOM 215 OD1 ASP A 18 6.085 6.015 9.757 1.00 0.00 O ATOM 216 OD2 ASP A 18 7.692 4.794 8.887 1.00 0.00 O ATOM 0 H ASP A 18 5.690 4.475 5.999 1.00 0.00 H new ATOM 0 HA ASP A 18 4.455 6.255 7.886 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.187 5.825 6.697 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.856 7.353 7.489 1.00 0.00 H new ATOM 221 N LYS A 19 5.040 7.261 4.815 1.00 0.00 N ATOM 222 CA LYS A 19 4.760 8.317 3.849 1.00 0.00 C ATOM 223 C LYS A 19 3.258 8.488 3.650 1.00 0.00 C ATOM 224 O LYS A 19 2.786 9.572 3.304 1.00 0.00 O ATOM 225 CB LYS A 19 5.430 8.002 2.510 1.00 0.00 C ATOM 226 CG LYS A 19 6.929 7.779 2.617 1.00 0.00 C ATOM 227 CD LYS A 19 7.647 8.196 1.345 1.00 0.00 C ATOM 228 CE LYS A 19 7.635 7.084 0.307 1.00 0.00 C ATOM 229 NZ LYS A 19 8.639 6.028 0.615 1.00 0.00 N ATOM 0 H LYS A 19 5.471 6.428 4.415 1.00 0.00 H new ATOM 0 HA LYS A 19 5.165 9.250 4.241 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.968 7.112 2.083 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.242 8.822 1.817 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.323 8.346 3.461 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.128 6.727 2.820 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.171 9.085 0.932 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.677 8.465 1.579 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.641 6.639 0.263 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.840 7.504 -0.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.351 5.134 0.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.569 6.315 0.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.700 5.897 1.645 1.00 0.00 H new ATOM 243 N LEU A 20 2.510 7.413 3.873 1.00 0.00 N ATOM 244 CA LEU A 20 1.060 7.444 3.720 1.00 0.00 C ATOM 245 C LEU A 20 0.422 8.363 4.757 1.00 0.00 C ATOM 246 O LEU A 20 -0.236 9.343 4.411 1.00 0.00 O ATOM 247 CB LEU A 20 0.483 6.034 3.849 1.00 0.00 C ATOM 248 CG LEU A 20 0.368 5.234 2.550 1.00 0.00 C ATOM 249 CD1 LEU A 20 -0.034 3.797 2.842 1.00 0.00 C ATOM 250 CD2 LEU A 20 -0.631 5.888 1.607 1.00 0.00 C ATOM 0 H LEU A 20 2.884 6.509 4.161 1.00 0.00 H new ATOM 0 HA LEU A 20 0.833 7.833 2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.105 5.471 4.545 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.509 6.108 4.295 1.00 0.00 H new ATOM 0 HG LEU A 20 1.344 5.225 2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.111 3.243 1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.718 3.331 3.479 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.998 3.785 3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.700 5.305 0.688 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.610 5.929 2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.300 6.899 1.371 1.00 0.00 H new ATOM 262 N ASN A 21 0.625 8.041 6.030 1.00 0.00 N ATOM 263 CA ASN A 21 0.071 8.838 7.119 1.00 0.00 C ATOM 264 C ASN A 21 0.397 10.317 6.930 1.00 0.00 C ATOM 265 O ASN A 21 -0.464 11.180 7.096 1.00 0.00 O ATOM 266 CB ASN A 21 0.616 8.352 8.463 1.00 0.00 C ATOM 267 CG ASN A 21 0.447 9.383 9.562 1.00 0.00 C ATOM 268 OD1 ASN A 21 1.079 10.439 9.541 1.00 0.00 O ATOM 269 ND2 ASN A 21 -0.410 9.080 10.531 1.00 0.00 N ATOM 0 H ASN A 21 1.169 7.233 6.333 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.012 8.718 7.109 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.104 7.433 8.749 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.673 8.108 8.357 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.565 9.735 11.298 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.913 8.193 10.508 1.00 0.00 H new ATOM 276 N LYS A 22 1.648 10.601 6.581 1.00 0.00 N ATOM 277 CA LYS A 22 2.089 11.974 6.368 1.00 0.00 C ATOM 278 C LYS A 22 1.279 12.640 5.260 1.00 0.00 C ATOM 279 O LYS A 22 1.188 13.867 5.196 1.00 0.00 O ATOM 280 CB LYS A 22 3.578 12.004 6.013 1.00 0.00 C ATOM 281 CG LYS A 22 4.491 12.045 7.226 1.00 0.00 C ATOM 282 CD LYS A 22 5.871 11.497 6.903 1.00 0.00 C ATOM 283 CE LYS A 22 6.747 11.425 8.145 1.00 0.00 C ATOM 284 NZ LYS A 22 6.243 10.419 9.121 1.00 0.00 N ATOM 0 H LYS A 22 2.374 9.898 6.440 1.00 0.00 H new ATOM 0 HA LYS A 22 1.931 12.528 7.293 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.819 11.124 5.417 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.777 12.875 5.389 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.580 13.072 7.581 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.048 11.465 8.036 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.776 10.503 6.466 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.349 12.130 6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.767 11.171 7.856 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.785 12.405 8.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.977 10.227 9.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.393 10.789 9.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.006 9.538 8.621 1.00 0.00 H new ATOM 298 N TYR A 23 0.690 11.825 4.392 1.00 0.00 N ATOM 299 CA TYR A 23 -0.112 12.336 3.287 1.00 0.00 C ATOM 300 C TYR A 23 -1.592 12.372 3.659 1.00 0.00 C ATOM 301 O TYR A 23 -2.337 13.238 3.201 1.00 0.00 O ATOM 302 CB TYR A 23 0.090 11.473 2.041 1.00 0.00 C ATOM 303 CG TYR A 23 -0.908 11.754 0.941 1.00 0.00 C ATOM 304 CD1 TYR A 23 -2.151 11.134 0.928 1.00 0.00 C ATOM 305 CD2 TYR A 23 -0.608 12.641 -0.086 1.00 0.00 C ATOM 306 CE1 TYR A 23 -3.066 11.387 -0.075 1.00 0.00 C ATOM 307 CE2 TYR A 23 -1.517 12.902 -1.093 1.00 0.00 C ATOM 308 CZ TYR A 23 -2.745 12.272 -1.084 1.00 0.00 C ATOM 309 OH TYR A 23 -3.654 12.529 -2.084 1.00 0.00 O ATOM 0 H TYR A 23 0.753 10.808 4.432 1.00 0.00 H new ATOM 0 HA TYR A 23 0.216 13.353 3.074 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.097 11.635 1.656 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.022 10.422 2.322 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -2.406 10.442 1.717 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.352 13.135 -0.097 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.027 10.895 -0.070 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -1.268 13.595 -1.883 1.00 0.00 H new ATOM 0 HH TYR A 23 -3.884 13.482 -2.080 1.00 0.00 H new ATOM 319 N ARG A 24 -2.008 11.426 4.495 1.00 0.00 N ATOM 320 CA ARG A 24 -3.398 11.349 4.929 1.00 0.00 C ATOM 321 C ARG A 24 -3.730 12.484 5.893 1.00 0.00 C ATOM 322 O ARG A 24 -4.874 12.932 5.968 1.00 0.00 O ATOM 323 CB ARG A 24 -3.671 10.000 5.598 1.00 0.00 C ATOM 324 CG ARG A 24 -3.442 10.009 7.100 1.00 0.00 C ATOM 325 CD ARG A 24 -3.898 8.707 7.741 1.00 0.00 C ATOM 326 NE ARG A 24 -4.246 8.882 9.148 1.00 0.00 N ATOM 327 CZ ARG A 24 -5.250 9.644 9.568 1.00 0.00 C ATOM 328 NH1 ARG A 24 -6.001 10.298 8.693 1.00 0.00 N ATOM 329 NH2 ARG A 24 -5.504 9.752 10.866 1.00 0.00 N ATOM 0 H ARG A 24 -1.403 10.703 4.885 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.034 11.446 4.049 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.701 9.706 5.398 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.030 9.243 5.146 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.383 10.166 7.307 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.982 10.844 7.546 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.761 8.319 7.200 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.106 7.963 7.653 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.688 8.392 9.847 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.809 10.217 7.695 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.771 10.882 9.018 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.928 9.250 11.542 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.275 10.337 11.188 1.00 0.00 H new ATOM 343 N GLN A 25 -2.723 12.942 6.629 1.00 0.00 N ATOM 344 CA GLN A 25 -2.909 14.023 7.589 1.00 0.00 C ATOM 345 C GLN A 25 -2.813 15.383 6.904 1.00 0.00 C ATOM 346 O GLN A 25 -3.436 16.352 7.336 1.00 0.00 O ATOM 347 CB GLN A 25 -1.868 13.927 8.706 1.00 0.00 C ATOM 348 CG GLN A 25 -0.461 14.286 8.258 1.00 0.00 C ATOM 349 CD GLN A 25 0.462 14.592 9.421 1.00 0.00 C ATOM 350 OE1 GLN A 25 0.147 14.293 10.574 1.00 0.00 O ATOM 351 NE2 GLN A 25 1.610 15.190 9.126 1.00 0.00 N ATOM 0 H GLN A 25 -1.770 12.581 6.579 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.905 13.924 8.021 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.160 14.588 9.522 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.866 12.912 9.103 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.047 13.461 7.678 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.504 15.151 7.596 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.831 15.420 8.157 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.271 15.419 9.868 1.00 0.00 H new ATOM 360 N MET A 26 -2.028 15.446 5.834 1.00 0.00 N ATOM 361 CA MET A 26 -1.851 16.687 5.088 1.00 0.00 C ATOM 362 C MET A 26 -3.059 16.963 4.199 1.00 0.00 C ATOM 363 O MET A 26 -3.701 18.008 4.314 1.00 0.00 O ATOM 364 CB MET A 26 -0.582 16.619 4.237 1.00 0.00 C ATOM 365 CG MET A 26 0.659 17.126 4.955 1.00 0.00 C ATOM 366 SD MET A 26 2.088 17.256 3.864 1.00 0.00 S ATOM 367 CE MET A 26 3.262 16.205 4.716 1.00 0.00 C ATOM 0 H MET A 26 -1.504 14.653 5.464 1.00 0.00 H new ATOM 0 HA MET A 26 -1.755 17.502 5.805 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.417 15.587 3.928 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.731 17.204 3.329 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.449 18.103 5.390 1.00 0.00 H new ATOM 0 HG3 MET A 26 0.897 16.454 5.780 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.273 16.573 4.542 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.051 16.216 5.785 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.177 15.185 4.340 1.00 0.00 H new ATOM 377 N HIS A 27 -3.364 16.021 3.312 1.00 0.00 N ATOM 378 CA HIS A 27 -4.496 16.164 2.403 1.00 0.00 C ATOM 379 C HIS A 27 -5.816 16.030 3.155 1.00 0.00 C ATOM 380 O HIS A 27 -6.816 16.646 2.789 1.00 0.00 O ATOM 381 CB HIS A 27 -4.419 15.118 1.291 1.00 0.00 C ATOM 382 CG HIS A 27 -3.296 15.348 0.328 1.00 0.00 C ATOM 383 ND1 HIS A 27 -3.495 15.630 -1.007 1.00 0.00 N ATOM 384 CD2 HIS A 27 -1.955 15.339 0.513 1.00 0.00 C ATOM 385 CE1 HIS A 27 -2.325 15.782 -1.602 1.00 0.00 C ATOM 386 NE2 HIS A 27 -1.374 15.612 -0.701 1.00 0.00 N ATOM 0 H HIS A 27 -2.843 15.151 3.203 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.451 17.158 1.959 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.306 14.131 1.739 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.361 15.113 0.743 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -1.438 15.152 1.443 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -2.172 16.007 -2.647 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -0.371 15.673 -0.878 1.00 0.00 H new ATOM 395 N GLY A 28 -5.813 15.218 4.208 1.00 0.00 N ATOM 396 CA GLY A 28 -7.016 15.016 4.993 1.00 0.00 C ATOM 397 C GLY A 28 -7.864 13.873 4.472 1.00 0.00 C ATOM 398 O GLY A 28 -9.075 14.016 4.302 1.00 0.00 O ATOM 0 H GLY A 28 -4.998 14.696 4.531 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.741 14.817 6.029 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -7.606 15.933 4.990 1.00 0.00 H new ATOM 402 N VAL A 29 -7.227 12.735 4.215 1.00 0.00 N ATOM 403 CA VAL A 29 -7.931 11.563 3.708 1.00 0.00 C ATOM 404 C VAL A 29 -7.928 10.435 4.734 1.00 0.00 C ATOM 405 O VAL A 29 -7.248 10.513 5.756 1.00 0.00 O ATOM 406 CB VAL A 29 -7.302 11.053 2.398 1.00 0.00 C ATOM 407 CG1 VAL A 29 -7.551 12.038 1.267 1.00 0.00 C ATOM 408 CG2 VAL A 29 -5.812 10.807 2.584 1.00 0.00 C ATOM 0 H VAL A 29 -6.225 12.600 4.350 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.958 11.870 3.513 1.00 0.00 H new ATOM 0 HB VAL A 29 -7.773 10.107 2.133 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.099 11.661 0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.624 12.159 1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.108 13.002 1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.383 10.447 1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.323 11.737 2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.661 10.060 3.364 1.00 0.00 H new ATOM 418 N ALA A 30 -8.693 9.385 4.453 1.00 0.00 N ATOM 419 CA ALA A 30 -8.777 8.239 5.350 1.00 0.00 C ATOM 420 C ALA A 30 -8.103 7.014 4.740 1.00 0.00 C ATOM 421 O ALA A 30 -8.530 6.514 3.698 1.00 0.00 O ATOM 422 CB ALA A 30 -10.230 7.934 5.682 1.00 0.00 C ATOM 0 H ALA A 30 -9.263 9.304 3.611 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.251 8.490 6.271 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.278 7.076 6.353 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.682 8.799 6.167 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.773 7.708 4.764 1.00 0.00 H new ATOM 428 N ILE A 31 -7.050 6.537 5.394 1.00 0.00 N ATOM 429 CA ILE A 31 -6.319 5.371 4.916 1.00 0.00 C ATOM 430 C ILE A 31 -6.663 4.131 5.734 1.00 0.00 C ATOM 431 O ILE A 31 -6.541 4.129 6.960 1.00 0.00 O ATOM 432 CB ILE A 31 -4.797 5.600 4.968 1.00 0.00 C ATOM 433 CG1 ILE A 31 -4.433 6.917 4.279 1.00 0.00 C ATOM 434 CG2 ILE A 31 -4.063 4.436 4.320 1.00 0.00 C ATOM 435 CD1 ILE A 31 -2.973 7.015 3.896 1.00 0.00 C ATOM 0 H ILE A 31 -6.684 6.940 6.256 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.620 5.214 3.880 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.490 5.661 6.012 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.044 7.030 3.383 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.683 7.746 4.942 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.988 4.613 4.365 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.301 3.515 4.851 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.373 4.345 3.279 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.787 7.974 3.413 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.356 6.934 4.791 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.722 6.207 3.208 1.00 0.00 H new ATOM 447 N THR A 32 -7.094 3.077 5.049 1.00 0.00 N ATOM 448 CA THR A 32 -7.456 1.830 5.712 1.00 0.00 C ATOM 449 C THR A 32 -6.725 0.645 5.092 1.00 0.00 C ATOM 450 O THR A 32 -6.728 0.470 3.873 1.00 0.00 O ATOM 451 CB THR A 32 -8.974 1.576 5.641 1.00 0.00 C ATOM 452 OG1 THR A 32 -9.654 2.410 6.586 1.00 0.00 O ATOM 453 CG2 THR A 32 -9.292 0.116 5.925 1.00 0.00 C ATOM 0 H THR A 32 -7.201 3.062 4.035 1.00 0.00 H new ATOM 0 HA THR A 32 -7.160 1.930 6.756 1.00 0.00 H new ATOM 0 HB THR A 32 -9.314 1.816 4.634 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.618 2.244 6.534 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.369 -0.039 5.869 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.796 -0.515 5.187 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.939 -0.146 6.922 1.00 0.00 H new ATOM 461 N TYR A 33 -6.099 -0.166 5.937 1.00 0.00 N ATOM 462 CA TYR A 33 -5.362 -1.335 5.471 1.00 0.00 C ATOM 463 C TYR A 33 -6.194 -2.604 5.632 1.00 0.00 C ATOM 464 O TYR A 33 -6.388 -3.096 6.744 1.00 0.00 O ATOM 465 CB TYR A 33 -4.046 -1.473 6.239 1.00 0.00 C ATOM 466 CG TYR A 33 -3.086 -0.328 6.007 1.00 0.00 C ATOM 467 CD1 TYR A 33 -3.406 0.964 6.405 1.00 0.00 C ATOM 468 CD2 TYR A 33 -1.860 -0.538 5.388 1.00 0.00 C ATOM 469 CE1 TYR A 33 -2.532 2.013 6.195 1.00 0.00 C ATOM 470 CE2 TYR A 33 -0.980 0.504 5.174 1.00 0.00 C ATOM 471 CZ TYR A 33 -1.320 1.778 5.579 1.00 0.00 C ATOM 472 OH TYR A 33 -0.447 2.820 5.367 1.00 0.00 O ATOM 0 H TYR A 33 -6.087 -0.036 6.949 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.144 -1.198 4.412 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.263 -1.544 7.305 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -3.562 -2.406 5.949 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.354 1.151 6.887 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.591 -1.534 5.069 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.796 3.011 6.511 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.031 0.323 4.692 1.00 0.00 H new ATOM 0 HH TYR A 33 0.396 2.641 5.834 1.00 0.00 H new ATOM 482 N LYS A 34 -6.682 -3.128 4.514 1.00 0.00 N ATOM 483 CA LYS A 34 -7.492 -4.341 4.527 1.00 0.00 C ATOM 484 C LYS A 34 -6.611 -5.584 4.453 1.00 0.00 C ATOM 485 O LYS A 34 -5.587 -5.589 3.771 1.00 0.00 O ATOM 486 CB LYS A 34 -8.480 -4.332 3.358 1.00 0.00 C ATOM 487 CG LYS A 34 -9.661 -5.268 3.553 1.00 0.00 C ATOM 488 CD LYS A 34 -10.897 -4.763 2.828 1.00 0.00 C ATOM 489 CE LYS A 34 -11.813 -5.909 2.424 1.00 0.00 C ATOM 490 NZ LYS A 34 -12.650 -6.377 3.564 1.00 0.00 N ATOM 0 H LYS A 34 -6.531 -2.732 3.586 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.048 -4.367 5.464 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.851 -3.317 3.215 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.953 -4.611 2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.403 -6.262 3.187 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.877 -5.367 4.617 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.440 -4.071 3.471 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.597 -4.205 1.941 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.459 -5.587 1.607 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.214 -6.738 2.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.260 -7.158 3.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.034 -6.708 4.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.241 -5.592 3.906 1.00 0.00 H new ATOM 504 N GLU A 35 -7.018 -6.635 5.157 1.00 0.00 N ATOM 505 CA GLU A 35 -6.265 -7.884 5.169 1.00 0.00 C ATOM 506 C GLU A 35 -6.888 -8.904 4.220 1.00 0.00 C ATOM 507 O GLU A 35 -8.045 -9.293 4.382 1.00 0.00 O ATOM 508 CB GLU A 35 -6.208 -8.458 6.586 1.00 0.00 C ATOM 509 CG GLU A 35 -5.738 -9.902 6.640 1.00 0.00 C ATOM 510 CD GLU A 35 -6.033 -10.562 7.973 1.00 0.00 C ATOM 511 OE1 GLU A 35 -7.168 -11.050 8.156 1.00 0.00 O ATOM 512 OE2 GLU A 35 -5.128 -10.590 8.834 1.00 0.00 O ATOM 0 H GLU A 35 -7.864 -6.647 5.726 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.251 -7.670 4.831 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.540 -7.845 7.191 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.198 -8.390 7.036 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.222 -10.468 5.844 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.665 -9.938 6.450 1.00 0.00 H new ATOM 519 N LEU A 36 -6.112 -9.333 3.231 1.00 0.00 N ATOM 520 CA LEU A 36 -6.587 -10.308 2.255 1.00 0.00 C ATOM 521 C LEU A 36 -6.143 -11.718 2.633 1.00 0.00 C ATOM 522 O LEU A 36 -5.499 -11.921 3.662 1.00 0.00 O ATOM 523 CB LEU A 36 -6.069 -9.955 0.859 1.00 0.00 C ATOM 524 CG LEU A 36 -6.123 -8.475 0.478 1.00 0.00 C ATOM 525 CD1 LEU A 36 -5.894 -8.300 -1.016 1.00 0.00 C ATOM 526 CD2 LEU A 36 -7.455 -7.866 0.890 1.00 0.00 C ATOM 0 H LEU A 36 -5.152 -9.022 3.084 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.677 -10.279 2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.035 -10.292 0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.645 -10.520 0.126 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.328 -7.953 1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.936 -7.241 -1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.915 -8.698 -1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.667 -8.836 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.475 -6.813 0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.266 -8.391 0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.579 -7.958 1.969 1.00 0.00 H new ATOM 538 N SER A 37 -6.491 -12.687 1.793 1.00 0.00 N ATOM 539 CA SER A 37 -6.129 -14.078 2.039 1.00 0.00 C ATOM 540 C SER A 37 -4.658 -14.323 1.718 1.00 0.00 C ATOM 541 O SER A 37 -3.948 -13.419 1.275 1.00 0.00 O ATOM 542 CB SER A 37 -7.008 -15.011 1.203 1.00 0.00 C ATOM 543 OG SER A 37 -6.459 -15.206 -0.089 1.00 0.00 O ATOM 0 H SER A 37 -7.023 -12.535 0.936 1.00 0.00 H new ATOM 0 HA SER A 37 -6.291 -14.288 3.096 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.108 -15.972 1.708 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.010 -14.591 1.116 1.00 0.00 H new ATOM 0 HG SER A 37 -7.038 -15.807 -0.603 1.00 0.00 H new ATOM 549 N THR A 38 -4.206 -15.552 1.944 1.00 0.00 N ATOM 550 CA THR A 38 -2.820 -15.917 1.680 1.00 0.00 C ATOM 551 C THR A 38 -2.704 -16.757 0.413 1.00 0.00 C ATOM 552 O THR A 38 -3.364 -17.786 0.277 1.00 0.00 O ATOM 553 CB THR A 38 -2.211 -16.700 2.859 1.00 0.00 C ATOM 554 OG1 THR A 38 -2.395 -15.972 4.078 1.00 0.00 O ATOM 555 CG2 THR A 38 -0.728 -16.953 2.632 1.00 0.00 C ATOM 0 H THR A 38 -4.780 -16.312 2.309 1.00 0.00 H new ATOM 0 HA THR A 38 -2.268 -14.986 1.547 1.00 0.00 H new ATOM 0 HB THR A 38 -2.721 -17.661 2.930 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.006 -16.477 4.822 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.320 -17.507 3.477 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.593 -17.533 1.719 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.207 -16.000 2.537 1.00 0.00 H new ATOM 563 N SER A 39 -1.859 -16.310 -0.511 1.00 0.00 N ATOM 564 CA SER A 39 -1.659 -17.020 -1.770 1.00 0.00 C ATOM 565 C SER A 39 -0.203 -17.445 -1.928 1.00 0.00 C ATOM 566 O SER A 39 0.711 -16.747 -1.489 1.00 0.00 O ATOM 567 CB SER A 39 -2.076 -16.138 -2.949 1.00 0.00 C ATOM 568 OG SER A 39 -3.487 -16.064 -3.057 1.00 0.00 O ATOM 0 H SER A 39 -1.303 -15.461 -0.412 1.00 0.00 H new ATOM 0 HA SER A 39 -2.281 -17.915 -1.757 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.665 -15.137 -2.821 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.658 -16.539 -3.873 1.00 0.00 H new ATOM 0 HG SER A 39 -3.727 -15.493 -3.817 1.00 0.00 H new ATOM 574 N GLY A 40 0.006 -18.596 -2.559 1.00 0.00 N ATOM 575 CA GLY A 40 1.353 -19.096 -2.765 1.00 0.00 C ATOM 576 C GLY A 40 1.480 -20.571 -2.440 1.00 0.00 C ATOM 577 O GLY A 40 0.490 -21.264 -2.201 1.00 0.00 O ATOM 0 H GLY A 40 -0.734 -19.192 -2.931 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.644 -18.929 -3.802 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.047 -18.529 -2.144 1.00 0.00 H new ATOM 581 N PRO A 41 2.723 -21.075 -2.431 1.00 0.00 N ATOM 582 CA PRO A 41 3.005 -22.483 -2.136 1.00 0.00 C ATOM 583 C PRO A 41 2.747 -22.831 -0.674 1.00 0.00 C ATOM 584 O PRO A 41 2.550 -21.959 0.172 1.00 0.00 O ATOM 585 CB PRO A 41 4.493 -22.623 -2.465 1.00 0.00 C ATOM 586 CG PRO A 41 5.048 -21.250 -2.301 1.00 0.00 C ATOM 587 CD PRO A 41 3.949 -20.308 -2.707 1.00 0.00 C ATOM 0 HA PRO A 41 2.364 -23.156 -2.706 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.982 -23.330 -1.795 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.641 -22.991 -3.480 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.353 -21.073 -1.270 1.00 0.00 H new ATOM 0 HG3 PRO A 41 5.932 -21.110 -2.923 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.981 -19.382 -2.133 1.00 0.00 H new ATOM 0 HD3 PRO A 41 4.023 -20.034 -3.759 1.00 0.00 H new ATOM 595 N PRO A 42 2.749 -24.137 -0.367 1.00 0.00 N ATOM 596 CA PRO A 42 2.518 -24.631 0.994 1.00 0.00 C ATOM 597 C PRO A 42 3.677 -24.309 1.932 1.00 0.00 C ATOM 598 O PRO A 42 3.470 -23.832 3.048 1.00 0.00 O ATOM 599 CB PRO A 42 2.388 -26.144 0.805 1.00 0.00 C ATOM 600 CG PRO A 42 3.149 -26.437 -0.442 1.00 0.00 C ATOM 601 CD PRO A 42 2.977 -25.232 -1.325 1.00 0.00 C ATOM 0 HA PRO A 42 1.644 -24.168 1.453 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.799 -26.686 1.656 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.344 -26.443 0.711 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.202 -26.614 -0.224 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.769 -27.335 -0.929 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.861 -25.053 -1.937 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.135 -25.351 -2.007 1.00 0.00 H new ATOM 609 N HIS A 43 4.895 -24.571 1.471 1.00 0.00 N ATOM 610 CA HIS A 43 6.088 -24.308 2.269 1.00 0.00 C ATOM 611 C HIS A 43 6.207 -22.822 2.593 1.00 0.00 C ATOM 612 O HIS A 43 6.367 -22.440 3.753 1.00 0.00 O ATOM 613 CB HIS A 43 7.338 -24.783 1.529 1.00 0.00 C ATOM 614 CG HIS A 43 7.350 -24.415 0.077 1.00 0.00 C ATOM 615 ND1 HIS A 43 6.731 -25.172 -0.896 1.00 0.00 N ATOM 616 CD2 HIS A 43 7.909 -23.363 -0.566 1.00 0.00 C ATOM 617 CE1 HIS A 43 6.910 -24.602 -2.074 1.00 0.00 C ATOM 618 NE2 HIS A 43 7.622 -23.502 -1.901 1.00 0.00 N ATOM 0 H HIS A 43 5.083 -24.965 0.549 1.00 0.00 H new ATOM 0 HA HIS A 43 5.998 -24.860 3.205 1.00 0.00 H new ATOM 0 HB2 HIS A 43 8.219 -24.358 2.010 1.00 0.00 H new ATOM 0 HB3 HIS A 43 7.416 -25.866 1.622 1.00 0.00 H new ATOM 0 HD2 HIS A 43 8.476 -22.563 -0.113 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.538 -24.972 -3.018 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.911 -22.861 -2.640 1.00 0.00 H new ATOM 627 N ASP A 44 6.129 -21.988 1.562 1.00 0.00 N ATOM 628 CA ASP A 44 6.228 -20.544 1.737 1.00 0.00 C ATOM 629 C ASP A 44 4.874 -19.876 1.520 1.00 0.00 C ATOM 630 O ASP A 44 4.327 -19.903 0.418 1.00 0.00 O ATOM 631 CB ASP A 44 7.259 -19.961 0.769 1.00 0.00 C ATOM 632 CG ASP A 44 8.683 -20.170 1.245 1.00 0.00 C ATOM 633 OD1 ASP A 44 8.954 -19.911 2.437 1.00 0.00 O ATOM 634 OD2 ASP A 44 9.528 -20.590 0.427 1.00 0.00 O ATOM 0 H ASP A 44 5.997 -22.287 0.596 1.00 0.00 H new ATOM 0 HA ASP A 44 6.550 -20.348 2.760 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.135 -20.423 -0.211 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.074 -18.894 0.644 1.00 0.00 H new ATOM 639 N ARG A 45 4.338 -19.278 2.579 1.00 0.00 N ATOM 640 CA ARG A 45 3.047 -18.606 2.505 1.00 0.00 C ATOM 641 C ARG A 45 3.226 -17.093 2.419 1.00 0.00 C ATOM 642 O ARG A 45 3.841 -16.480 3.291 1.00 0.00 O ATOM 643 CB ARG A 45 2.193 -18.960 3.724 1.00 0.00 C ATOM 644 CG ARG A 45 1.517 -20.317 3.620 1.00 0.00 C ATOM 645 CD ARG A 45 0.322 -20.274 2.680 1.00 0.00 C ATOM 646 NE ARG A 45 -0.008 -21.595 2.152 1.00 0.00 N ATOM 647 CZ ARG A 45 -1.029 -21.826 1.336 1.00 0.00 C ATOM 648 NH1 ARG A 45 -1.817 -20.830 0.955 1.00 0.00 N ATOM 649 NH2 ARG A 45 -1.265 -23.056 0.897 1.00 0.00 N ATOM 0 H ARG A 45 4.778 -19.245 3.499 1.00 0.00 H new ATOM 0 HA ARG A 45 2.540 -18.947 1.603 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.821 -18.944 4.614 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.430 -18.193 3.858 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.235 -21.056 3.264 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.192 -20.639 4.609 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.541 -19.869 3.209 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.535 -19.596 1.853 1.00 0.00 H new ATOM 0 HE ARG A 45 0.578 -22.384 2.425 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.639 -19.883 1.289 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.601 -21.011 0.328 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.661 -23.825 1.187 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.050 -23.232 0.270 1.00 0.00 H new ATOM 663 N ARG A 46 2.686 -16.498 1.361 1.00 0.00 N ATOM 664 CA ARG A 46 2.787 -15.057 1.159 1.00 0.00 C ATOM 665 C ARG A 46 1.479 -14.363 1.527 1.00 0.00 C ATOM 666 O ARG A 46 0.419 -14.690 0.992 1.00 0.00 O ATOM 667 CB ARG A 46 3.150 -14.749 -0.295 1.00 0.00 C ATOM 668 CG ARG A 46 4.552 -15.191 -0.680 1.00 0.00 C ATOM 669 CD ARG A 46 5.577 -14.104 -0.396 1.00 0.00 C ATOM 670 NE ARG A 46 6.927 -14.513 -0.772 1.00 0.00 N ATOM 671 CZ ARG A 46 7.400 -14.437 -2.011 1.00 0.00 C ATOM 672 NH1 ARG A 46 6.636 -13.969 -2.988 1.00 0.00 N ATOM 673 NH2 ARG A 46 8.640 -14.829 -2.274 1.00 0.00 N ATOM 0 H ARG A 46 2.174 -16.991 0.630 1.00 0.00 H new ATOM 0 HA ARG A 46 3.574 -14.678 1.811 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.431 -15.239 -0.952 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.057 -13.676 -0.464 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.815 -16.093 -0.128 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.576 -15.447 -1.739 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.307 -13.200 -0.942 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.556 -13.854 0.665 1.00 0.00 H new ATOM 0 HE ARG A 46 7.541 -14.877 -0.043 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.682 -13.666 -2.789 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.002 -13.912 -3.938 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.231 -15.189 -1.525 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.002 -14.770 -3.226 1.00 0.00 H new ATOM 687 N PHE A 47 1.561 -13.405 2.444 1.00 0.00 N ATOM 688 CA PHE A 47 0.384 -12.665 2.885 1.00 0.00 C ATOM 689 C PHE A 47 0.164 -11.428 2.019 1.00 0.00 C ATOM 690 O PHE A 47 1.064 -10.604 1.851 1.00 0.00 O ATOM 691 CB PHE A 47 0.533 -12.256 4.351 1.00 0.00 C ATOM 692 CG PHE A 47 0.999 -13.373 5.241 1.00 0.00 C ATOM 693 CD1 PHE A 47 0.280 -14.554 5.326 1.00 0.00 C ATOM 694 CD2 PHE A 47 2.155 -13.241 5.993 1.00 0.00 C ATOM 695 CE1 PHE A 47 0.705 -15.584 6.144 1.00 0.00 C ATOM 696 CE2 PHE A 47 2.586 -14.267 6.812 1.00 0.00 C ATOM 697 CZ PHE A 47 1.860 -15.440 6.889 1.00 0.00 C ATOM 0 H PHE A 47 2.430 -13.123 2.896 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.484 -13.317 2.784 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.240 -11.429 4.419 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.425 -11.887 4.716 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.624 -14.671 4.746 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.726 -12.326 5.938 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.135 -16.500 6.201 1.00 0.00 H new ATOM 0 HE2 PHE A 47 3.490 -14.152 7.392 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.194 -16.242 7.530 1.00 0.00 H new ATOM 707 N THR A 48 -1.041 -11.304 1.470 1.00 0.00 N ATOM 708 CA THR A 48 -1.381 -10.170 0.621 1.00 0.00 C ATOM 709 C THR A 48 -2.132 -9.101 1.406 1.00 0.00 C ATOM 710 O THR A 48 -2.921 -9.411 2.299 1.00 0.00 O ATOM 711 CB THR A 48 -2.239 -10.605 -0.582 1.00 0.00 C ATOM 712 OG1 THR A 48 -1.532 -11.575 -1.362 1.00 0.00 O ATOM 713 CG2 THR A 48 -2.598 -9.410 -1.452 1.00 0.00 C ATOM 0 H THR A 48 -1.798 -11.976 1.599 1.00 0.00 H new ATOM 0 HA THR A 48 -0.441 -9.756 0.256 1.00 0.00 H new ATOM 0 HB THR A 48 -3.160 -11.046 -0.202 1.00 0.00 H new ATOM 0 HG1 THR A 48 -2.085 -11.848 -2.124 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.204 -9.743 -2.295 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.162 -8.687 -0.863 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.686 -8.943 -1.823 1.00 0.00 H new ATOM 721 N PHE A 49 -1.883 -7.840 1.067 1.00 0.00 N ATOM 722 CA PHE A 49 -2.537 -6.724 1.741 1.00 0.00 C ATOM 723 C PHE A 49 -2.865 -5.609 0.753 1.00 0.00 C ATOM 724 O PHE A 49 -2.397 -5.617 -0.385 1.00 0.00 O ATOM 725 CB PHE A 49 -1.644 -6.183 2.860 1.00 0.00 C ATOM 726 CG PHE A 49 -1.876 -6.848 4.187 1.00 0.00 C ATOM 727 CD1 PHE A 49 -1.325 -8.090 4.460 1.00 0.00 C ATOM 728 CD2 PHE A 49 -2.644 -6.232 5.161 1.00 0.00 C ATOM 729 CE1 PHE A 49 -1.537 -8.705 5.679 1.00 0.00 C ATOM 730 CE2 PHE A 49 -2.860 -6.842 6.383 1.00 0.00 C ATOM 731 CZ PHE A 49 -2.305 -8.079 6.642 1.00 0.00 C ATOM 0 H PHE A 49 -1.233 -7.566 0.330 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.469 -7.088 2.173 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.600 -6.313 2.575 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.815 -5.112 2.965 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.723 -8.583 3.711 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.079 -5.264 4.964 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.103 -9.674 5.879 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.462 -6.351 7.134 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.471 -8.557 7.596 1.00 0.00 H new ATOM 741 N GLN A 50 -3.673 -4.651 1.198 1.00 0.00 N ATOM 742 CA GLN A 50 -4.065 -3.530 0.352 1.00 0.00 C ATOM 743 C GLN A 50 -4.459 -2.323 1.197 1.00 0.00 C ATOM 744 O GLN A 50 -4.840 -2.463 2.360 1.00 0.00 O ATOM 745 CB GLN A 50 -5.227 -3.932 -0.558 1.00 0.00 C ATOM 746 CG GLN A 50 -6.595 -3.693 0.061 1.00 0.00 C ATOM 747 CD GLN A 50 -7.730 -4.103 -0.857 1.00 0.00 C ATOM 748 OE1 GLN A 50 -8.442 -5.071 -0.588 1.00 0.00 O ATOM 749 NE2 GLN A 50 -7.904 -3.367 -1.948 1.00 0.00 N ATOM 0 H GLN A 50 -4.068 -4.629 2.138 1.00 0.00 H new ATOM 0 HA GLN A 50 -3.209 -3.255 -0.264 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.157 -3.373 -1.491 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.131 -4.988 -0.811 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.669 -4.250 0.995 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.698 -2.637 0.310 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.290 -2.573 -2.131 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.652 -3.595 -2.603 1.00 0.00 H new ATOM 758 N VAL A 51 -4.365 -1.136 0.606 1.00 0.00 N ATOM 759 CA VAL A 51 -4.713 0.096 1.304 1.00 0.00 C ATOM 760 C VAL A 51 -5.890 0.794 0.632 1.00 0.00 C ATOM 761 O VAL A 51 -6.122 0.631 -0.566 1.00 0.00 O ATOM 762 CB VAL A 51 -3.518 1.066 1.359 1.00 0.00 C ATOM 763 CG1 VAL A 51 -3.939 2.398 1.960 1.00 0.00 C ATOM 764 CG2 VAL A 51 -2.371 0.454 2.149 1.00 0.00 C ATOM 0 H VAL A 51 -4.051 -1.002 -0.355 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.992 -0.183 2.320 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.172 1.247 0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.082 3.070 1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.726 2.841 1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.312 2.239 2.972 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.535 1.153 2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.702 0.242 3.166 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.053 -0.472 1.670 1.00 0.00 H new ATOM 774 N LEU A 52 -6.631 1.574 1.412 1.00 0.00 N ATOM 775 CA LEU A 52 -7.785 2.299 0.893 1.00 0.00 C ATOM 776 C LEU A 52 -7.743 3.764 1.316 1.00 0.00 C ATOM 777 O LEU A 52 -7.888 4.084 2.496 1.00 0.00 O ATOM 778 CB LEU A 52 -9.082 1.652 1.384 1.00 0.00 C ATOM 779 CG LEU A 52 -9.431 0.297 0.768 1.00 0.00 C ATOM 780 CD1 LEU A 52 -8.837 -0.833 1.594 1.00 0.00 C ATOM 781 CD2 LEU A 52 -10.940 0.138 0.649 1.00 0.00 C ATOM 0 H LEU A 52 -6.453 1.720 2.406 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.752 2.253 -0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.018 1.531 2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.904 2.340 1.189 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.001 0.252 -0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.096 -1.790 1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.753 -0.728 1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.236 -0.792 2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.170 -0.832 0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.392 0.204 1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.340 0.929 0.014 1.00 0.00 H new ATOM 793 N ILE A 53 -7.546 4.649 0.345 1.00 0.00 N ATOM 794 CA ILE A 53 -7.488 6.080 0.616 1.00 0.00 C ATOM 795 C ILE A 53 -8.659 6.811 -0.032 1.00 0.00 C ATOM 796 O ILE A 53 -8.807 6.805 -1.254 1.00 0.00 O ATOM 797 CB ILE A 53 -6.170 6.696 0.111 1.00 0.00 C ATOM 798 CG1 ILE A 53 -4.976 5.879 0.608 1.00 0.00 C ATOM 799 CG2 ILE A 53 -6.054 8.144 0.564 1.00 0.00 C ATOM 800 CD1 ILE A 53 -3.789 5.911 -0.330 1.00 0.00 C ATOM 0 H ILE A 53 -7.424 4.400 -0.637 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.544 6.198 1.698 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.171 6.676 -0.979 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.668 6.257 1.583 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.288 4.844 0.751 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.117 8.565 0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.890 8.718 0.165 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.071 8.187 1.653 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.980 5.311 0.086 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.080 5.506 -1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.451 6.940 -0.454 1.00 0.00 H new ATOM 812 N ASP A 54 -9.487 7.440 0.794 1.00 0.00 N ATOM 813 CA ASP A 54 -10.644 8.178 0.302 1.00 0.00 C ATOM 814 C ASP A 54 -11.650 7.237 -0.355 1.00 0.00 C ATOM 815 O ASP A 54 -12.156 7.516 -1.441 1.00 0.00 O ATOM 816 CB ASP A 54 -10.205 9.251 -0.695 1.00 0.00 C ATOM 817 CG ASP A 54 -11.136 10.447 -0.706 1.00 0.00 C ATOM 818 OD1 ASP A 54 -11.728 10.748 0.352 1.00 0.00 O ATOM 819 OD2 ASP A 54 -11.273 11.083 -1.772 1.00 0.00 O ATOM 0 H ASP A 54 -9.378 7.454 1.808 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.126 8.659 1.153 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.196 9.582 -0.448 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.162 8.818 -1.695 1.00 0.00 H new ATOM 824 N GLU A 55 -11.932 6.122 0.311 1.00 0.00 N ATOM 825 CA GLU A 55 -12.875 5.140 -0.210 1.00 0.00 C ATOM 826 C GLU A 55 -12.398 4.583 -1.548 1.00 0.00 C ATOM 827 O GLU A 55 -13.197 4.121 -2.363 1.00 0.00 O ATOM 828 CB GLU A 55 -14.262 5.767 -0.372 1.00 0.00 C ATOM 829 CG GLU A 55 -14.840 6.307 0.925 1.00 0.00 C ATOM 830 CD GLU A 55 -15.615 5.258 1.700 1.00 0.00 C ATOM 831 OE1 GLU A 55 -16.603 4.725 1.154 1.00 0.00 O ATOM 832 OE2 GLU A 55 -15.231 4.971 2.854 1.00 0.00 O ATOM 0 H GLU A 55 -11.521 5.876 1.212 1.00 0.00 H new ATOM 0 HA GLU A 55 -12.936 4.319 0.505 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.203 6.577 -1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.943 5.021 -0.781 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.031 6.689 1.548 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.497 7.148 0.703 1.00 0.00 H new ATOM 839 N LYS A 56 -11.088 4.632 -1.769 1.00 0.00 N ATOM 840 CA LYS A 56 -10.501 4.133 -3.007 1.00 0.00 C ATOM 841 C LYS A 56 -9.868 2.761 -2.794 1.00 0.00 C ATOM 842 O LYS A 56 -9.279 2.495 -1.748 1.00 0.00 O ATOM 843 CB LYS A 56 -9.451 5.115 -3.530 1.00 0.00 C ATOM 844 CG LYS A 56 -9.009 4.831 -4.955 1.00 0.00 C ATOM 845 CD LYS A 56 -7.704 5.536 -5.285 1.00 0.00 C ATOM 846 CE LYS A 56 -7.042 4.935 -6.515 1.00 0.00 C ATOM 847 NZ LYS A 56 -7.799 5.243 -7.759 1.00 0.00 N ATOM 0 H LYS A 56 -10.413 5.013 -1.106 1.00 0.00 H new ATOM 0 HA LYS A 56 -11.298 4.036 -3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.854 6.126 -3.478 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.580 5.085 -2.876 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.888 3.756 -5.092 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.784 5.155 -5.649 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.894 6.596 -5.454 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.026 5.466 -4.434 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.026 5.319 -6.604 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.966 3.854 -6.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.315 4.816 -8.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.761 4.855 -7.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.850 6.274 -7.888 1.00 0.00 H new ATOM 861 N GLU A 57 -9.994 1.895 -3.795 1.00 0.00 N ATOM 862 CA GLU A 57 -9.433 0.551 -3.717 1.00 0.00 C ATOM 863 C GLU A 57 -8.110 0.469 -4.474 1.00 0.00 C ATOM 864 O GLU A 57 -8.083 0.506 -5.704 1.00 0.00 O ATOM 865 CB GLU A 57 -10.421 -0.472 -4.281 1.00 0.00 C ATOM 866 CG GLU A 57 -11.412 -0.991 -3.254 1.00 0.00 C ATOM 867 CD GLU A 57 -12.241 -2.148 -3.776 1.00 0.00 C ATOM 868 OE1 GLU A 57 -11.751 -3.296 -3.733 1.00 0.00 O ATOM 869 OE2 GLU A 57 -13.380 -1.907 -4.228 1.00 0.00 O ATOM 0 H GLU A 57 -10.479 2.100 -4.669 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.246 0.323 -2.668 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -10.970 -0.018 -5.106 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.864 -1.313 -4.694 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -10.872 -1.309 -2.362 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.075 -0.180 -2.953 1.00 0.00 H new ATOM 876 N PHE A 58 -7.015 0.358 -3.730 1.00 0.00 N ATOM 877 CA PHE A 58 -5.689 0.271 -4.329 1.00 0.00 C ATOM 878 C PHE A 58 -5.324 -1.178 -4.636 1.00 0.00 C ATOM 879 O PHE A 58 -5.869 -2.118 -4.058 1.00 0.00 O ATOM 880 CB PHE A 58 -4.643 0.886 -3.396 1.00 0.00 C ATOM 881 CG PHE A 58 -4.582 2.385 -3.469 1.00 0.00 C ATOM 882 CD1 PHE A 58 -5.528 3.162 -2.822 1.00 0.00 C ATOM 883 CD2 PHE A 58 -3.578 3.016 -4.186 1.00 0.00 C ATOM 884 CE1 PHE A 58 -5.474 4.542 -2.887 1.00 0.00 C ATOM 885 CE2 PHE A 58 -3.518 4.395 -4.253 1.00 0.00 C ATOM 886 CZ PHE A 58 -4.469 5.159 -3.604 1.00 0.00 C ATOM 0 H PHE A 58 -7.020 0.326 -2.711 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.704 0.829 -5.265 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.863 0.589 -2.371 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.663 0.478 -3.643 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -6.317 2.685 -2.260 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.834 2.424 -4.698 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.218 5.137 -2.377 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.729 4.875 -4.812 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.426 6.237 -3.658 1.00 0.00 H new ATOM 896 N PRO A 59 -4.379 -1.365 -5.570 1.00 0.00 N ATOM 897 CA PRO A 59 -3.919 -2.696 -5.976 1.00 0.00 C ATOM 898 C PRO A 59 -3.114 -3.390 -4.882 1.00 0.00 C ATOM 899 O PRO A 59 -1.970 -3.025 -4.615 1.00 0.00 O ATOM 900 CB PRO A 59 -3.034 -2.411 -7.192 1.00 0.00 C ATOM 901 CG PRO A 59 -2.565 -1.010 -6.998 1.00 0.00 C ATOM 902 CD PRO A 59 -3.686 -0.290 -6.300 1.00 0.00 C ATOM 0 HA PRO A 59 -4.751 -3.368 -6.186 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.196 -3.106 -7.243 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.593 -2.516 -8.122 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.653 -0.983 -6.402 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -2.335 -0.540 -7.954 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -3.311 0.478 -5.624 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.348 0.206 -7.009 1.00 0.00 H new ATOM 910 N GLU A 60 -3.720 -4.393 -4.253 1.00 0.00 N ATOM 911 CA GLU A 60 -3.058 -5.137 -3.188 1.00 0.00 C ATOM 912 C GLU A 60 -1.665 -5.584 -3.622 1.00 0.00 C ATOM 913 O GLU A 60 -1.232 -5.306 -4.739 1.00 0.00 O ATOM 914 CB GLU A 60 -3.895 -6.354 -2.790 1.00 0.00 C ATOM 915 CG GLU A 60 -3.969 -7.422 -3.868 1.00 0.00 C ATOM 916 CD GLU A 60 -5.021 -7.120 -4.917 1.00 0.00 C ATOM 917 OE1 GLU A 60 -6.223 -7.154 -4.580 1.00 0.00 O ATOM 918 OE2 GLU A 60 -4.642 -6.849 -6.076 1.00 0.00 O ATOM 0 H GLU A 60 -4.667 -4.708 -4.463 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.957 -4.477 -2.326 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.475 -6.792 -1.885 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.905 -6.025 -2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.996 -7.514 -4.351 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.188 -8.385 -3.406 1.00 0.00 H new ATOM 925 N ALA A 61 -0.968 -6.277 -2.727 1.00 0.00 N ATOM 926 CA ALA A 61 0.375 -6.764 -3.017 1.00 0.00 C ATOM 927 C ALA A 61 0.765 -7.895 -2.071 1.00 0.00 C ATOM 928 O ALA A 61 0.199 -8.034 -0.987 1.00 0.00 O ATOM 929 CB ALA A 61 1.381 -5.625 -2.924 1.00 0.00 C ATOM 0 H ALA A 61 -1.311 -6.513 -1.796 1.00 0.00 H new ATOM 0 HA ALA A 61 0.381 -7.157 -4.034 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.380 -6.003 -3.143 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.120 -4.850 -3.644 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.364 -5.206 -1.918 1.00 0.00 H new ATOM 935 N LYS A 62 1.735 -8.701 -2.489 1.00 0.00 N ATOM 936 CA LYS A 62 2.202 -9.820 -1.679 1.00 0.00 C ATOM 937 C LYS A 62 3.444 -9.435 -0.883 1.00 0.00 C ATOM 938 O LYS A 62 4.297 -8.691 -1.365 1.00 0.00 O ATOM 939 CB LYS A 62 2.507 -11.027 -2.569 1.00 0.00 C ATOM 940 CG LYS A 62 1.267 -11.774 -3.029 1.00 0.00 C ATOM 941 CD LYS A 62 1.617 -12.901 -3.985 1.00 0.00 C ATOM 942 CE LYS A 62 0.423 -13.298 -4.841 1.00 0.00 C ATOM 943 NZ LYS A 62 0.770 -14.370 -5.814 1.00 0.00 N ATOM 0 H LYS A 62 2.213 -8.600 -3.384 1.00 0.00 H new ATOM 0 HA LYS A 62 1.411 -10.084 -0.977 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.064 -10.691 -3.444 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.154 -11.715 -2.024 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.744 -12.180 -2.163 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.584 -11.080 -3.518 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.440 -12.591 -4.629 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.963 -13.765 -3.419 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.387 -13.640 -4.197 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.055 -12.424 -5.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.070 -14.612 -6.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.526 -14.035 -6.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.097 -15.213 -5.300 1.00 0.00 H new ATOM 957 N GLY A 63 3.540 -9.948 0.341 1.00 0.00 N ATOM 958 CA GLY A 63 4.683 -9.647 1.183 1.00 0.00 C ATOM 959 C GLY A 63 5.133 -10.843 1.999 1.00 0.00 C ATOM 960 O GLY A 63 4.318 -11.510 2.637 1.00 0.00 O ATOM 0 H GLY A 63 2.847 -10.566 0.763 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.509 -9.305 0.560 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.429 -8.827 1.855 1.00 0.00 H new ATOM 964 N ARG A 64 6.433 -11.117 1.977 1.00 0.00 N ATOM 965 CA ARG A 64 6.989 -12.243 2.717 1.00 0.00 C ATOM 966 C ARG A 64 6.248 -12.446 4.036 1.00 0.00 C ATOM 967 O ARG A 64 5.666 -13.503 4.275 1.00 0.00 O ATOM 968 CB ARG A 64 8.478 -12.018 2.986 1.00 0.00 C ATOM 969 CG ARG A 64 9.311 -11.876 1.723 1.00 0.00 C ATOM 970 CD ARG A 64 10.796 -11.801 2.040 1.00 0.00 C ATOM 971 NE ARG A 64 11.410 -13.124 2.103 1.00 0.00 N ATOM 972 CZ ARG A 64 12.683 -13.330 2.424 1.00 0.00 C ATOM 973 NH1 ARG A 64 13.472 -12.303 2.709 1.00 0.00 N ATOM 974 NH2 ARG A 64 13.168 -14.564 2.461 1.00 0.00 N ATOM 0 H ARG A 64 7.121 -10.575 1.455 1.00 0.00 H new ATOM 0 HA ARG A 64 6.868 -13.140 2.110 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.597 -11.120 3.592 1.00 0.00 H new ATOM 0 HB3 ARG A 64 8.863 -12.852 3.573 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.121 -12.723 1.064 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.007 -10.978 1.185 1.00 0.00 H new ATOM 0 HD2 ARG A 64 11.299 -11.204 1.280 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.938 -11.290 2.992 1.00 0.00 H new ATOM 0 HE ARG A 64 10.830 -13.935 1.889 1.00 0.00 H new ATOM 0 HH11 ARG A 64 13.102 -11.353 2.682 1.00 0.00 H new ATOM 0 HH12 ARG A 64 14.449 -12.463 2.955 1.00 0.00 H new ATOM 0 HH21 ARG A 64 12.564 -15.356 2.243 1.00 0.00 H new ATOM 0 HH22 ARG A 64 14.145 -14.721 2.708 1.00 0.00 H new ATOM 988 N SER A 65 6.276 -11.425 4.887 1.00 0.00 N ATOM 989 CA SER A 65 5.610 -11.493 6.183 1.00 0.00 C ATOM 990 C SER A 65 4.393 -10.574 6.218 1.00 0.00 C ATOM 991 O SER A 65 4.166 -9.789 5.296 1.00 0.00 O ATOM 992 CB SER A 65 6.584 -11.112 7.300 1.00 0.00 C ATOM 993 OG SER A 65 6.063 -11.461 8.571 1.00 0.00 O ATOM 0 H SER A 65 6.752 -10.542 4.703 1.00 0.00 H new ATOM 0 HA SER A 65 5.273 -12.518 6.338 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.538 -11.616 7.143 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.781 -10.040 7.266 1.00 0.00 H new ATOM 0 HG SER A 65 6.704 -11.209 9.268 1.00 0.00 H new ATOM 999 N LYS A 66 3.612 -10.677 7.288 1.00 0.00 N ATOM 1000 CA LYS A 66 2.418 -9.856 7.446 1.00 0.00 C ATOM 1001 C LYS A 66 2.754 -8.374 7.303 1.00 0.00 C ATOM 1002 O LYS A 66 2.035 -7.628 6.639 1.00 0.00 O ATOM 1003 CB LYS A 66 1.773 -10.114 8.809 1.00 0.00 C ATOM 1004 CG LYS A 66 0.269 -9.903 8.821 1.00 0.00 C ATOM 1005 CD LYS A 66 -0.461 -11.059 8.158 1.00 0.00 C ATOM 1006 CE LYS A 66 -0.825 -12.139 9.166 1.00 0.00 C ATOM 1007 NZ LYS A 66 -1.444 -11.566 10.394 1.00 0.00 N ATOM 0 H LYS A 66 3.785 -11.322 8.059 1.00 0.00 H new ATOM 0 HA LYS A 66 1.713 -10.129 6.660 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.990 -11.137 9.116 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.230 -9.455 9.548 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.076 -9.795 9.849 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.027 -8.974 8.305 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.366 -10.690 7.675 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.166 -11.486 7.376 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.516 -12.846 8.707 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.070 -12.699 9.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.084 -12.267 10.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.698 -11.319 11.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.983 -10.712 10.145 1.00 0.00 H new ATOM 1021 N GLN A 67 3.850 -7.958 7.929 1.00 0.00 N ATOM 1022 CA GLN A 67 4.280 -6.566 7.870 1.00 0.00 C ATOM 1023 C GLN A 67 4.812 -6.219 6.483 1.00 0.00 C ATOM 1024 O GLN A 67 4.458 -5.188 5.913 1.00 0.00 O ATOM 1025 CB GLN A 67 5.355 -6.297 8.924 1.00 0.00 C ATOM 1026 CG GLN A 67 5.484 -4.830 9.302 1.00 0.00 C ATOM 1027 CD GLN A 67 4.237 -4.288 9.971 1.00 0.00 C ATOM 1028 OE1 GLN A 67 4.109 -4.326 11.195 1.00 0.00 O ATOM 1029 NE2 GLN A 67 3.308 -3.779 9.170 1.00 0.00 N ATOM 0 H GLN A 67 4.456 -8.564 8.482 1.00 0.00 H new ATOM 0 HA GLN A 67 3.415 -5.936 8.075 1.00 0.00 H new ATOM 0 HB2 GLN A 67 5.127 -6.875 9.819 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.315 -6.653 8.551 1.00 0.00 H new ATOM 0 HG2 GLN A 67 6.335 -4.705 9.972 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.695 -4.245 8.407 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.455 -3.768 8.161 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.447 -3.399 9.564 1.00 0.00 H new ATOM 1038 N GLU A 68 5.665 -7.087 5.948 1.00 0.00 N ATOM 1039 CA GLU A 68 6.246 -6.870 4.629 1.00 0.00 C ATOM 1040 C GLU A 68 5.162 -6.560 3.600 1.00 0.00 C ATOM 1041 O GLU A 68 5.367 -5.758 2.690 1.00 0.00 O ATOM 1042 CB GLU A 68 7.044 -8.101 4.190 1.00 0.00 C ATOM 1043 CG GLU A 68 8.195 -7.777 3.253 1.00 0.00 C ATOM 1044 CD GLU A 68 8.954 -6.532 3.669 1.00 0.00 C ATOM 1045 OE1 GLU A 68 9.530 -6.532 4.778 1.00 0.00 O ATOM 1046 OE2 GLU A 68 8.973 -5.559 2.888 1.00 0.00 O ATOM 0 H GLU A 68 5.968 -7.946 6.407 1.00 0.00 H new ATOM 0 HA GLU A 68 6.917 -6.014 4.693 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.437 -8.603 5.074 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.371 -8.803 3.697 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.882 -8.623 3.221 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.809 -7.642 2.243 1.00 0.00 H new ATOM 1053 N ALA A 69 4.009 -7.202 3.753 1.00 0.00 N ATOM 1054 CA ALA A 69 2.892 -6.995 2.840 1.00 0.00 C ATOM 1055 C ALA A 69 2.340 -5.579 2.961 1.00 0.00 C ATOM 1056 O ALA A 69 2.217 -4.863 1.967 1.00 0.00 O ATOM 1057 CB ALA A 69 1.796 -8.016 3.106 1.00 0.00 C ATOM 0 H ALA A 69 3.824 -7.870 4.501 1.00 0.00 H new ATOM 0 HA ALA A 69 3.257 -7.129 1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.968 -7.849 2.417 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.192 -9.021 2.961 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.441 -7.910 4.131 1.00 0.00 H new ATOM 1063 N ARG A 70 2.006 -5.182 4.185 1.00 0.00 N ATOM 1064 CA ARG A 70 1.465 -3.852 4.435 1.00 0.00 C ATOM 1065 C ARG A 70 2.334 -2.779 3.785 1.00 0.00 C ATOM 1066 O ARG A 70 1.826 -1.851 3.157 1.00 0.00 O ATOM 1067 CB ARG A 70 1.360 -3.595 5.940 1.00 0.00 C ATOM 1068 CG ARG A 70 0.052 -4.071 6.550 1.00 0.00 C ATOM 1069 CD ARG A 70 -0.290 -3.294 7.811 1.00 0.00 C ATOM 1070 NE ARG A 70 -1.627 -3.613 8.305 1.00 0.00 N ATOM 1071 CZ ARG A 70 -2.003 -3.447 9.568 1.00 0.00 C ATOM 1072 NH1 ARG A 70 -1.147 -2.966 10.460 1.00 0.00 N ATOM 1073 NH2 ARG A 70 -3.237 -3.761 9.942 1.00 0.00 N ATOM 0 H ARG A 70 2.101 -5.763 5.018 1.00 0.00 H new ATOM 0 HA ARG A 70 0.469 -3.805 3.994 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.188 -4.093 6.444 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.470 -2.527 6.126 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.752 -3.958 5.823 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.124 -5.133 6.784 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.445 -3.517 8.585 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.224 -2.225 7.607 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.309 -3.984 7.644 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.198 -2.723 10.176 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.438 -2.839 11.429 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.898 -4.131 9.259 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.524 -3.633 10.912 1.00 0.00 H new ATOM 1087 N ASN A 71 3.647 -2.914 3.941 1.00 0.00 N ATOM 1088 CA ASN A 71 4.587 -1.956 3.370 1.00 0.00 C ATOM 1089 C ASN A 71 4.524 -1.975 1.846 1.00 0.00 C ATOM 1090 O ASN A 71 4.516 -0.927 1.201 1.00 0.00 O ATOM 1091 CB ASN A 71 6.010 -2.266 3.837 1.00 0.00 C ATOM 1092 CG ASN A 71 6.934 -1.071 3.708 1.00 0.00 C ATOM 1093 OD1 ASN A 71 6.527 -0.004 3.247 1.00 0.00 O ATOM 1094 ND2 ASN A 71 8.186 -1.244 4.116 1.00 0.00 N ATOM 0 H ASN A 71 4.084 -3.677 4.458 1.00 0.00 H new ATOM 0 HA ASN A 71 4.308 -0.961 3.715 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.985 -2.592 4.877 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.409 -3.095 3.252 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.853 -0.475 4.054 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.480 -2.146 4.492 1.00 0.00 H new ATOM 1101 N ALA A 72 4.478 -3.175 1.276 1.00 0.00 N ATOM 1102 CA ALA A 72 4.414 -3.331 -0.172 1.00 0.00 C ATOM 1103 C ALA A 72 3.145 -2.700 -0.736 1.00 0.00 C ATOM 1104 O ALA A 72 3.205 -1.855 -1.629 1.00 0.00 O ATOM 1105 CB ALA A 72 4.484 -4.804 -0.548 1.00 0.00 C ATOM 0 H ALA A 72 4.484 -4.053 1.795 1.00 0.00 H new ATOM 0 HA ALA A 72 5.270 -2.815 -0.606 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.435 -4.905 -1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.421 -5.228 -0.186 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.646 -5.335 -0.096 1.00 0.00 H new ATOM 1111 N ALA A 73 1.998 -3.115 -0.209 1.00 0.00 N ATOM 1112 CA ALA A 73 0.716 -2.589 -0.659 1.00 0.00 C ATOM 1113 C ALA A 73 0.719 -1.064 -0.663 1.00 0.00 C ATOM 1114 O ALA A 73 0.064 -0.434 -1.493 1.00 0.00 O ATOM 1115 CB ALA A 73 -0.409 -3.114 0.221 1.00 0.00 C ATOM 0 H ALA A 73 1.931 -3.814 0.530 1.00 0.00 H new ATOM 0 HA ALA A 73 0.551 -2.929 -1.681 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.361 -2.713 -0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.434 -4.202 0.169 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.240 -2.803 1.252 1.00 0.00 H new ATOM 1121 N ALA A 74 1.459 -0.476 0.271 1.00 0.00 N ATOM 1122 CA ALA A 74 1.548 0.975 0.374 1.00 0.00 C ATOM 1123 C ALA A 74 2.435 1.550 -0.725 1.00 0.00 C ATOM 1124 O ALA A 74 2.279 2.706 -1.121 1.00 0.00 O ATOM 1125 CB ALA A 74 2.075 1.375 1.744 1.00 0.00 C ATOM 0 H ALA A 74 2.006 -0.983 0.967 1.00 0.00 H new ATOM 0 HA ALA A 74 0.546 1.386 0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.136 2.461 1.807 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.401 1.004 2.516 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.066 0.946 1.892 1.00 0.00 H new ATOM 1131 N LYS A 75 3.366 0.738 -1.213 1.00 0.00 N ATOM 1132 CA LYS A 75 4.278 1.165 -2.267 1.00 0.00 C ATOM 1133 C LYS A 75 3.511 1.546 -3.529 1.00 0.00 C ATOM 1134 O LYS A 75 3.781 2.578 -4.145 1.00 0.00 O ATOM 1135 CB LYS A 75 5.281 0.053 -2.584 1.00 0.00 C ATOM 1136 CG LYS A 75 6.291 0.432 -3.653 1.00 0.00 C ATOM 1137 CD LYS A 75 7.378 -0.621 -3.790 1.00 0.00 C ATOM 1138 CE LYS A 75 8.054 -0.550 -5.151 1.00 0.00 C ATOM 1139 NZ LYS A 75 9.156 -1.544 -5.276 1.00 0.00 N ATOM 0 H LYS A 75 3.509 -0.221 -0.895 1.00 0.00 H new ATOM 0 HA LYS A 75 4.818 2.043 -1.912 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.814 -0.215 -1.672 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.737 -0.834 -2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.782 0.557 -4.608 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.743 1.392 -3.404 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.122 -0.482 -3.005 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.946 -1.612 -3.648 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.315 -0.727 -5.933 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.450 0.453 -5.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.591 -1.464 -6.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.874 -1.360 -4.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.774 -2.503 -5.152 1.00 0.00 H new ATOM 1153 N LEU A 76 2.552 0.709 -3.909 1.00 0.00 N ATOM 1154 CA LEU A 76 1.743 0.959 -5.097 1.00 0.00 C ATOM 1155 C LEU A 76 0.866 2.192 -4.909 1.00 0.00 C ATOM 1156 O LEU A 76 0.669 2.974 -5.839 1.00 0.00 O ATOM 1157 CB LEU A 76 0.872 -0.258 -5.411 1.00 0.00 C ATOM 1158 CG LEU A 76 1.583 -1.612 -5.407 1.00 0.00 C ATOM 1159 CD1 LEU A 76 0.572 -2.746 -5.476 1.00 0.00 C ATOM 1160 CD2 LEU A 76 2.566 -1.700 -6.565 1.00 0.00 C ATOM 0 H LEU A 76 2.315 -0.149 -3.411 1.00 0.00 H new ATOM 0 HA LEU A 76 2.418 1.140 -5.934 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.059 -0.295 -4.686 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.418 -0.112 -6.391 1.00 0.00 H new ATOM 0 HG LEU A 76 2.140 -1.706 -4.475 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.096 -3.702 -5.472 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.093 -2.694 -4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.013 -2.657 -6.391 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.063 -2.670 -6.547 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.030 -1.584 -7.507 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.310 -0.909 -6.472 1.00 0.00 H new ATOM 1172 N ALA A 77 0.343 2.361 -3.699 1.00 0.00 N ATOM 1173 CA ALA A 77 -0.510 3.501 -3.388 1.00 0.00 C ATOM 1174 C ALA A 77 0.285 4.802 -3.403 1.00 0.00 C ATOM 1175 O ALA A 77 0.015 5.698 -4.204 1.00 0.00 O ATOM 1176 CB ALA A 77 -1.180 3.306 -2.036 1.00 0.00 C ATOM 0 H ALA A 77 0.495 1.723 -2.918 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.280 3.567 -4.157 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.814 4.165 -1.817 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.789 2.402 -2.059 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.418 3.211 -1.263 1.00 0.00 H new ATOM 1182 N VAL A 78 1.267 4.900 -2.512 1.00 0.00 N ATOM 1183 CA VAL A 78 2.103 6.092 -2.424 1.00 0.00 C ATOM 1184 C VAL A 78 2.555 6.550 -3.806 1.00 0.00 C ATOM 1185 O VAL A 78 2.656 7.748 -4.072 1.00 0.00 O ATOM 1186 CB VAL A 78 3.343 5.844 -1.546 1.00 0.00 C ATOM 1187 CG1 VAL A 78 4.220 7.086 -1.496 1.00 0.00 C ATOM 1188 CG2 VAL A 78 2.928 5.418 -0.146 1.00 0.00 C ATOM 0 H VAL A 78 1.503 4.169 -1.841 1.00 0.00 H new ATOM 0 HA VAL A 78 1.494 6.872 -1.967 1.00 0.00 H new ATOM 0 HB VAL A 78 3.924 5.036 -1.990 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.091 6.891 -0.871 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.547 7.342 -2.504 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.651 7.916 -1.077 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.817 5.247 0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.324 6.203 0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.345 4.499 -0.203 1.00 0.00 H new ATOM 1198 N ASP A 79 2.825 5.589 -4.682 1.00 0.00 N ATOM 1199 CA ASP A 79 3.266 5.894 -6.039 1.00 0.00 C ATOM 1200 C ASP A 79 2.189 6.660 -6.800 1.00 0.00 C ATOM 1201 O ASP A 79 2.470 7.674 -7.439 1.00 0.00 O ATOM 1202 CB ASP A 79 3.617 4.605 -6.785 1.00 0.00 C ATOM 1203 CG ASP A 79 4.606 4.839 -7.909 1.00 0.00 C ATOM 1204 OD1 ASP A 79 4.183 5.316 -8.982 1.00 0.00 O ATOM 1205 OD2 ASP A 79 5.804 4.543 -7.717 1.00 0.00 O ATOM 0 H ASP A 79 2.747 4.593 -4.478 1.00 0.00 H new ATOM 0 HA ASP A 79 4.155 6.521 -5.974 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.034 3.884 -6.082 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.707 4.164 -7.192 1.00 0.00 H new ATOM 1210 N ILE A 80 0.957 6.168 -6.729 1.00 0.00 N ATOM 1211 CA ILE A 80 -0.161 6.807 -7.411 1.00 0.00 C ATOM 1212 C ILE A 80 -0.390 8.221 -6.888 1.00 0.00 C ATOM 1213 O ILE A 80 -0.487 9.173 -7.662 1.00 0.00 O ATOM 1214 CB ILE A 80 -1.459 5.994 -7.248 1.00 0.00 C ATOM 1215 CG1 ILE A 80 -1.282 4.587 -7.822 1.00 0.00 C ATOM 1216 CG2 ILE A 80 -2.620 6.707 -7.926 1.00 0.00 C ATOM 1217 CD1 ILE A 80 -2.138 3.544 -7.140 1.00 0.00 C ATOM 0 H ILE A 80 0.708 5.329 -6.206 1.00 0.00 H new ATOM 0 HA ILE A 80 0.099 6.852 -8.469 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.683 5.906 -6.185 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.523 4.604 -8.885 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.235 4.298 -7.737 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.530 6.120 -7.802 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.758 7.689 -7.474 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.405 6.823 -8.988 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.961 2.571 -7.599 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.882 3.498 -6.082 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.190 3.809 -7.248 1.00 0.00 H new ATOM 1229 N LEU A 81 -0.473 8.350 -5.568 1.00 0.00 N ATOM 1230 CA LEU A 81 -0.689 9.649 -4.939 1.00 0.00 C ATOM 1231 C LEU A 81 0.235 10.704 -5.539 1.00 0.00 C ATOM 1232 O LEU A 81 -0.217 11.764 -5.973 1.00 0.00 O ATOM 1233 CB LEU A 81 -0.458 9.551 -3.430 1.00 0.00 C ATOM 1234 CG LEU A 81 -1.214 8.436 -2.706 1.00 0.00 C ATOM 1235 CD1 LEU A 81 -0.789 8.362 -1.248 1.00 0.00 C ATOM 1236 CD2 LEU A 81 -2.717 8.653 -2.815 1.00 0.00 C ATOM 0 H LEU A 81 -0.394 7.572 -4.913 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.721 9.948 -5.124 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.609 9.413 -3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.735 10.503 -2.978 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.968 7.487 -3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.338 7.563 -0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.280 8.159 -1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.005 9.311 -0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.239 7.850 -2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.980 9.610 -2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.009 8.655 -3.865 1.00 0.00 H new ATOM 1248 N ASP A 82 1.529 10.406 -5.560 1.00 0.00 N ATOM 1249 CA ASP A 82 2.517 11.328 -6.110 1.00 0.00 C ATOM 1250 C ASP A 82 2.049 11.890 -7.449 1.00 0.00 C ATOM 1251 O ASP A 82 2.088 13.099 -7.673 1.00 0.00 O ATOM 1252 CB ASP A 82 3.864 10.624 -6.280 1.00 0.00 C ATOM 1253 CG ASP A 82 4.976 11.585 -6.650 1.00 0.00 C ATOM 1254 OD1 ASP A 82 4.682 12.615 -7.294 1.00 0.00 O ATOM 1255 OD2 ASP A 82 6.141 11.308 -6.296 1.00 0.00 O ATOM 0 H ASP A 82 1.919 9.534 -5.203 1.00 0.00 H new ATOM 0 HA ASP A 82 2.635 12.156 -5.411 1.00 0.00 H new ATOM 0 HB2 ASP A 82 4.123 10.113 -5.353 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.776 9.860 -7.052 1.00 0.00 H new ATOM 1260 N ASN A 83 1.608 11.003 -8.335 1.00 0.00 N ATOM 1261 CA ASN A 83 1.135 11.411 -9.653 1.00 0.00 C ATOM 1262 C ASN A 83 -0.195 12.152 -9.549 1.00 0.00 C ATOM 1263 O ASN A 83 -0.480 13.048 -10.341 1.00 0.00 O ATOM 1264 CB ASN A 83 0.982 10.190 -10.563 1.00 0.00 C ATOM 1265 CG ASN A 83 1.197 10.529 -12.026 1.00 0.00 C ATOM 1266 OD1 ASN A 83 0.306 10.342 -12.855 1.00 0.00 O ATOM 1267 ND2 ASN A 83 2.384 11.029 -12.349 1.00 0.00 N ATOM 0 H ASN A 83 1.568 9.998 -8.165 1.00 0.00 H new ATOM 0 HA ASN A 83 1.874 12.087 -10.084 1.00 0.00 H new ATOM 0 HB2 ASN A 83 1.696 9.424 -10.262 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.014 9.766 -10.434 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.587 11.275 -13.318 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.093 11.167 -11.628 1.00 0.00 H new ATOM 1274 N GLU A 84 -1.003 11.769 -8.565 1.00 0.00 N ATOM 1275 CA GLU A 84 -2.302 12.397 -8.357 1.00 0.00 C ATOM 1276 C GLU A 84 -2.146 13.886 -8.062 1.00 0.00 C ATOM 1277 O GLU A 84 -3.071 14.671 -8.269 1.00 0.00 O ATOM 1278 CB GLU A 84 -3.046 11.714 -7.208 1.00 0.00 C ATOM 1279 CG GLU A 84 -3.568 10.330 -7.558 1.00 0.00 C ATOM 1280 CD GLU A 84 -4.725 10.374 -8.538 1.00 0.00 C ATOM 1281 OE1 GLU A 84 -5.840 10.752 -8.123 1.00 0.00 O ATOM 1282 OE2 GLU A 84 -4.514 10.030 -9.720 1.00 0.00 O ATOM 0 H GLU A 84 -0.781 11.028 -7.900 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.881 12.284 -9.273 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.378 11.635 -6.350 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.883 12.343 -6.904 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.758 9.737 -7.984 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.888 9.825 -6.646 1.00 0.00 H new ATOM 1289 N ASN A 85 -0.969 14.267 -7.577 1.00 0.00 N ATOM 1290 CA ASN A 85 -0.691 15.661 -7.252 1.00 0.00 C ATOM 1291 C ASN A 85 -0.811 16.543 -8.491 1.00 0.00 C ATOM 1292 O ASN A 85 -1.459 17.590 -8.462 1.00 0.00 O ATOM 1293 CB ASN A 85 0.709 15.797 -6.650 1.00 0.00 C ATOM 1294 CG ASN A 85 0.771 15.313 -5.214 1.00 0.00 C ATOM 1295 OD1 ASN A 85 0.660 14.117 -4.945 1.00 0.00 O ATOM 1296 ND2 ASN A 85 0.947 16.244 -4.284 1.00 0.00 N ATOM 0 H ASN A 85 -0.192 13.630 -7.400 1.00 0.00 H new ATOM 0 HA ASN A 85 -1.428 15.991 -6.520 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.417 15.229 -7.253 1.00 0.00 H new ATOM 0 HB3 ASN A 85 1.020 16.841 -6.692 1.00 0.00 H new ATOM 0 HD21 ASN A 85 0.995 15.979 -3.300 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.034 17.224 -4.553 1.00 0.00 H new ATOM 1303 N LYS A 86 -0.184 16.112 -9.581 1.00 0.00 N ATOM 1304 CA LYS A 86 -0.222 16.860 -10.832 1.00 0.00 C ATOM 1305 C LYS A 86 -1.467 16.508 -11.639 1.00 0.00 C ATOM 1306 O LYS A 86 -1.673 15.353 -12.011 1.00 0.00 O ATOM 1307 CB LYS A 86 1.033 16.573 -11.659 1.00 0.00 C ATOM 1308 CG LYS A 86 1.128 17.403 -12.928 1.00 0.00 C ATOM 1309 CD LYS A 86 2.110 16.798 -13.918 1.00 0.00 C ATOM 1310 CE LYS A 86 2.486 17.790 -15.007 1.00 0.00 C ATOM 1311 NZ LYS A 86 1.562 17.710 -16.173 1.00 0.00 N ATOM 0 H LYS A 86 0.357 15.248 -9.623 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.256 17.922 -10.591 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.914 16.761 -11.045 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.049 15.516 -11.924 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.143 17.477 -13.390 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.440 18.417 -12.678 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.008 16.477 -13.391 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.671 15.909 -14.370 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.469 18.801 -14.599 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.506 17.597 -15.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.852 18.402 -16.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.596 16.753 -16.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 0.592 17.920 -15.862 1.00 0.00 H new ATOM 1325 N VAL A 87 -2.296 17.513 -11.908 1.00 0.00 N ATOM 1326 CA VAL A 87 -3.520 17.310 -12.674 1.00 0.00 C ATOM 1327 C VAL A 87 -3.227 17.228 -14.167 1.00 0.00 C ATOM 1328 O VAL A 87 -2.287 17.851 -14.661 1.00 0.00 O ATOM 1329 CB VAL A 87 -4.534 18.441 -12.422 1.00 0.00 C ATOM 1330 CG1 VAL A 87 -4.019 19.755 -12.990 1.00 0.00 C ATOM 1331 CG2 VAL A 87 -5.887 18.087 -13.019 1.00 0.00 C ATOM 0 H VAL A 87 -2.142 18.475 -11.607 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.950 16.366 -12.339 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.658 18.561 -11.346 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.748 20.543 -12.803 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.075 20.013 -12.511 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.864 19.651 -14.064 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.591 18.898 -12.831 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.783 17.939 -14.094 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.258 17.171 -12.560 1.00 0.00 H new ATOM 1341 N ASP A 88 -4.037 16.455 -14.882 1.00 0.00 N ATOM 1342 CA ASP A 88 -3.866 16.292 -16.321 1.00 0.00 C ATOM 1343 C ASP A 88 -5.215 16.113 -17.012 1.00 0.00 C ATOM 1344 O ASP A 88 -6.177 15.643 -16.404 1.00 0.00 O ATOM 1345 CB ASP A 88 -2.964 15.093 -16.617 1.00 0.00 C ATOM 1346 CG ASP A 88 -2.504 15.057 -18.061 1.00 0.00 C ATOM 1347 OD1 ASP A 88 -3.349 14.808 -18.947 1.00 0.00 O ATOM 1348 OD2 ASP A 88 -1.300 15.278 -18.305 1.00 0.00 O ATOM 0 H ASP A 88 -4.819 15.931 -14.488 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.396 17.195 -16.710 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -2.093 15.127 -15.962 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.501 14.173 -16.387 1.00 0.00 H new ATOM 1353 N CYS A 89 -5.277 16.491 -18.284 1.00 0.00 N ATOM 1354 CA CYS A 89 -6.508 16.373 -19.057 1.00 0.00 C ATOM 1355 C CYS A 89 -6.513 15.090 -19.881 1.00 0.00 C ATOM 1356 O CYS A 89 -6.936 15.083 -21.037 1.00 0.00 O ATOM 1357 CB CYS A 89 -6.675 17.584 -19.976 1.00 0.00 C ATOM 1358 SG CYS A 89 -5.356 17.771 -21.199 1.00 0.00 S ATOM 0 H CYS A 89 -4.490 16.882 -18.802 1.00 0.00 H new ATOM 0 HA CYS A 89 -7.344 16.337 -18.359 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -7.629 17.503 -20.496 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.720 18.486 -19.366 1.00 0.00 H new ATOM 0 HG CYS A 89 -5.587 18.821 -21.930 1.00 0.00 H new ATOM 1364 N HIS A 90 -6.037 14.005 -19.278 1.00 0.00 N ATOM 1365 CA HIS A 90 -5.985 12.714 -19.957 1.00 0.00 C ATOM 1366 C HIS A 90 -7.346 12.027 -19.921 1.00 0.00 C ATOM 1367 O HIS A 90 -7.806 11.484 -20.926 1.00 0.00 O ATOM 1368 CB HIS A 90 -4.930 11.816 -19.310 1.00 0.00 C ATOM 1369 CG HIS A 90 -5.083 10.367 -19.657 1.00 0.00 C ATOM 1370 ND1 HIS A 90 -5.836 9.490 -18.906 1.00 0.00 N ATOM 1371 CD2 HIS A 90 -4.575 9.644 -20.682 1.00 0.00 C ATOM 1372 CE1 HIS A 90 -5.783 8.288 -19.453 1.00 0.00 C ATOM 1373 NE2 HIS A 90 -5.025 8.355 -20.533 1.00 0.00 N ATOM 0 H HIS A 90 -5.682 13.994 -18.322 1.00 0.00 H new ATOM 0 HA HIS A 90 -5.713 12.889 -20.998 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -3.940 12.152 -19.618 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -4.983 11.929 -18.227 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -3.935 10.012 -21.470 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -6.275 7.402 -19.081 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -4.809 7.576 -21.155 1.00 0.00 H new ATOM 1382 N THR A 91 -7.987 12.053 -18.757 1.00 0.00 N ATOM 1383 CA THR A 91 -9.294 11.431 -18.589 1.00 0.00 C ATOM 1384 C THR A 91 -10.377 12.223 -19.313 1.00 0.00 C ATOM 1385 O THR A 91 -10.662 13.367 -18.961 1.00 0.00 O ATOM 1386 CB THR A 91 -9.672 11.308 -17.101 1.00 0.00 C ATOM 1387 OG1 THR A 91 -9.737 12.608 -16.504 1.00 0.00 O ATOM 1388 CG2 THR A 91 -8.660 10.452 -16.355 1.00 0.00 C ATOM 0 H THR A 91 -7.621 12.499 -17.916 1.00 0.00 H new ATOM 0 HA THR A 91 -9.226 10.433 -19.022 1.00 0.00 H new ATOM 0 HB THR A 91 -10.649 10.829 -17.035 1.00 0.00 H new ATOM 0 HG1 THR A 91 -10.054 13.257 -17.167 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.948 10.379 -15.306 1.00 0.00 H new ATOM 0 HG22 THR A 91 -8.633 9.455 -16.794 1.00 0.00 H new ATOM 0 HG23 THR A 91 -7.673 10.908 -16.430 1.00 0.00 H new ATOM 1396 N SER A 92 -10.978 11.606 -20.326 1.00 0.00 N ATOM 1397 CA SER A 92 -12.028 12.256 -21.102 1.00 0.00 C ATOM 1398 C SER A 92 -13.343 12.274 -20.328 1.00 0.00 C ATOM 1399 O SER A 92 -13.764 11.259 -19.775 1.00 0.00 O ATOM 1400 CB SER A 92 -12.220 11.540 -22.440 1.00 0.00 C ATOM 1401 OG SER A 92 -11.257 11.965 -23.389 1.00 0.00 O ATOM 0 H SER A 92 -10.756 10.657 -20.628 1.00 0.00 H new ATOM 0 HA SER A 92 -11.723 13.285 -21.290 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.141 10.463 -22.294 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.222 11.737 -22.821 1.00 0.00 H new ATOM 0 HG SER A 92 -11.400 11.491 -24.235 1.00 0.00 H new ATOM 1407 N GLY A 93 -13.987 13.437 -20.294 1.00 0.00 N ATOM 1408 CA GLY A 93 -15.247 13.566 -19.586 1.00 0.00 C ATOM 1409 C GLY A 93 -15.680 15.011 -19.433 1.00 0.00 C ATOM 1410 O GLY A 93 -15.460 15.641 -18.399 1.00 0.00 O ATOM 0 H GLY A 93 -13.659 14.291 -20.744 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -16.019 13.013 -20.121 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -15.154 13.111 -18.600 1.00 0.00 H new ATOM 1414 N PRO A 94 -16.310 15.558 -20.483 1.00 0.00 N ATOM 1415 CA PRO A 94 -16.787 16.944 -20.485 1.00 0.00 C ATOM 1416 C PRO A 94 -17.968 17.153 -19.543 1.00 0.00 C ATOM 1417 O PRO A 94 -18.153 18.239 -18.995 1.00 0.00 O ATOM 1418 CB PRO A 94 -17.216 17.169 -21.937 1.00 0.00 C ATOM 1419 CG PRO A 94 -17.543 15.810 -22.451 1.00 0.00 C ATOM 1420 CD PRO A 94 -16.607 14.866 -21.748 1.00 0.00 C ATOM 0 HA PRO A 94 -16.021 17.638 -20.139 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -18.079 17.833 -21.996 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -16.418 17.631 -22.518 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -18.582 15.554 -22.245 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -17.410 15.759 -23.532 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -17.071 13.895 -21.575 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -15.703 14.688 -22.331 1.00 0.00 H new ATOM 1428 N SER A 95 -18.764 16.104 -19.358 1.00 0.00 N ATOM 1429 CA SER A 95 -19.929 16.174 -18.483 1.00 0.00 C ATOM 1430 C SER A 95 -19.627 15.548 -17.125 1.00 0.00 C ATOM 1431 O SER A 95 -19.486 14.330 -17.008 1.00 0.00 O ATOM 1432 CB SER A 95 -21.121 15.466 -19.130 1.00 0.00 C ATOM 1433 OG SER A 95 -22.314 15.711 -18.406 1.00 0.00 O ATOM 0 H SER A 95 -18.624 15.196 -19.802 1.00 0.00 H new ATOM 0 HA SER A 95 -20.177 17.225 -18.332 1.00 0.00 H new ATOM 0 HB2 SER A 95 -21.238 15.810 -20.158 1.00 0.00 H new ATOM 0 HB3 SER A 95 -20.932 14.393 -19.173 1.00 0.00 H new ATOM 0 HG SER A 95 -23.061 15.249 -18.841 1.00 0.00 H new ATOM 1439 N SER A 96 -19.529 16.389 -16.101 1.00 0.00 N ATOM 1440 CA SER A 96 -19.240 15.920 -14.751 1.00 0.00 C ATOM 1441 C SER A 96 -20.041 14.662 -14.430 1.00 0.00 C ATOM 1442 O SER A 96 -21.260 14.711 -14.272 1.00 0.00 O ATOM 1443 CB SER A 96 -19.558 17.014 -13.730 1.00 0.00 C ATOM 1444 OG SER A 96 -20.907 17.435 -13.835 1.00 0.00 O ATOM 0 H SER A 96 -19.646 17.399 -16.180 1.00 0.00 H new ATOM 0 HA SER A 96 -18.179 15.678 -14.696 1.00 0.00 H new ATOM 0 HB2 SER A 96 -19.367 16.642 -12.723 1.00 0.00 H new ATOM 0 HB3 SER A 96 -18.895 17.865 -13.886 1.00 0.00 H new ATOM 0 HG SER A 96 -21.474 16.665 -14.050 1.00 0.00 H new ATOM 1450 N GLY A 97 -19.344 13.533 -14.336 1.00 0.00 N ATOM 1451 CA GLY A 97 -20.005 12.277 -14.035 1.00 0.00 C ATOM 1452 C GLY A 97 -19.121 11.076 -14.309 1.00 0.00 C ATOM 1453 O GLY A 97 -19.572 10.082 -14.878 1.00 0.00 O ATOM 0 H GLY A 97 -18.334 13.466 -14.463 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -20.307 12.271 -12.988 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -20.915 12.197 -14.629 1.00 0.00 H new TER 1457 GLY A 97