USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 606 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 NoAdj-H: A 63 HIS HD1 : A 63 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0937 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 50:sc= 1.22 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 SER OG : rot 41:sc= 1.27 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 16:sc= 0.645 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc=-0.000295 USER MOD Single : A 22 HIS : no HD1:sc= -1.94 K(o=-1.9,f=-0.53) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.191 K(o=-0.19,f=-6.2!) USER MOD Single : A 37 THR OG1 : rot -170:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.0268 X(o=-0.027,f=0) USER MOD Single : A 43 GLN : amide:sc= -2.96! K(o=-3!,f=-1.5) USER MOD Single : A 45 SER OG : rot 17:sc= 0.523 USER MOD Single : A 46 TYR OH : rot 171:sc= -0.797 USER MOD Single : A 49 MET CE :methyl 174:sc= -0.765 (180deg=-0.839) USER MOD Single : A 54 ASN : amide:sc= -1.59 K(o=-1.6,f=-4.8!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.811 77.285 -54.654 1.00 0.00 N ATOM 2 CA GLY A 1 -5.625 77.243 -53.819 1.00 0.00 C ATOM 3 C GLY A 1 -5.110 75.832 -53.614 1.00 0.00 C ATOM 4 O GLY A 1 -5.605 74.888 -54.229 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.637 77.902 -55.473 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.037 76.325 -54.985 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.610 77.658 -54.103 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.842 77.850 -54.274 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.851 77.689 -52.850 1.00 0.00 H new ATOM 8 N SER A 2 -4.113 75.688 -52.747 1.00 0.00 N ATOM 9 CA SER A 2 -3.526 74.383 -52.466 1.00 0.00 C ATOM 10 C SER A 2 -2.504 74.478 -51.338 1.00 0.00 C ATOM 11 O SER A 2 -2.209 75.566 -50.843 1.00 0.00 O ATOM 12 CB SER A 2 -2.864 73.817 -53.724 1.00 0.00 C ATOM 13 OG SER A 2 -1.638 74.474 -53.994 1.00 0.00 O ATOM 0 H SER A 2 -3.695 76.459 -52.227 1.00 0.00 H new ATOM 0 HA SER A 2 -4.326 73.712 -52.152 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.688 72.749 -53.597 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.536 73.930 -54.575 1.00 0.00 H new ATOM 0 HG SER A 2 -1.234 74.093 -54.801 1.00 0.00 H new ATOM 19 N SER A 3 -1.968 73.330 -50.936 1.00 0.00 N ATOM 20 CA SER A 3 -0.981 73.282 -49.863 1.00 0.00 C ATOM 21 C SER A 3 -0.407 71.876 -49.717 1.00 0.00 C ATOM 22 O SER A 3 -0.810 70.952 -50.421 1.00 0.00 O ATOM 23 CB SER A 3 -1.611 73.728 -48.542 1.00 0.00 C ATOM 24 OG SER A 3 -1.490 75.129 -48.367 1.00 0.00 O ATOM 0 H SER A 3 -2.200 72.421 -51.337 1.00 0.00 H new ATOM 0 HA SER A 3 -0.169 73.963 -50.118 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.664 73.446 -48.524 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.128 73.212 -47.712 1.00 0.00 H new ATOM 0 HG SER A 3 -1.793 75.587 -49.179 1.00 0.00 H new ATOM 30 N GLY A 4 0.540 71.724 -48.795 1.00 0.00 N ATOM 31 CA GLY A 4 1.156 70.429 -48.572 1.00 0.00 C ATOM 32 C GLY A 4 2.160 70.452 -47.436 1.00 0.00 C ATOM 33 O GLY A 4 2.403 71.499 -46.835 1.00 0.00 O ATOM 0 H GLY A 4 0.891 72.474 -48.199 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.381 69.694 -48.353 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.654 70.105 -49.486 1.00 0.00 H new ATOM 37 N SER A 5 2.744 69.295 -47.141 1.00 0.00 N ATOM 38 CA SER A 5 3.724 69.186 -46.066 1.00 0.00 C ATOM 39 C SER A 5 4.338 67.790 -46.031 1.00 0.00 C ATOM 40 O SER A 5 3.947 66.909 -46.796 1.00 0.00 O ATOM 41 CB SER A 5 3.071 69.503 -44.719 1.00 0.00 C ATOM 42 OG SER A 5 1.954 68.664 -44.484 1.00 0.00 O ATOM 0 H SER A 5 2.556 68.420 -47.631 1.00 0.00 H new ATOM 0 HA SER A 5 4.518 69.908 -46.256 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.800 69.376 -43.919 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.756 70.546 -44.700 1.00 0.00 H new ATOM 0 HG SER A 5 1.555 68.885 -43.616 1.00 0.00 H new ATOM 48 N SER A 6 5.302 67.597 -45.137 1.00 0.00 N ATOM 49 CA SER A 6 5.975 66.310 -45.003 1.00 0.00 C ATOM 50 C SER A 6 6.947 66.325 -43.828 1.00 0.00 C ATOM 51 O SER A 6 7.143 67.354 -43.182 1.00 0.00 O ATOM 52 CB SER A 6 6.721 65.964 -46.293 1.00 0.00 C ATOM 53 OG SER A 6 6.811 64.561 -46.469 1.00 0.00 O ATOM 0 H SER A 6 5.635 68.316 -44.494 1.00 0.00 H new ATOM 0 HA SER A 6 5.217 65.549 -44.815 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.206 66.408 -47.145 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.722 66.395 -46.265 1.00 0.00 H new ATOM 0 HG SER A 6 7.290 64.366 -47.301 1.00 0.00 H new ATOM 59 N GLY A 7 7.555 65.174 -43.556 1.00 0.00 N ATOM 60 CA GLY A 7 8.500 65.075 -42.459 1.00 0.00 C ATOM 61 C GLY A 7 8.965 63.652 -42.221 1.00 0.00 C ATOM 62 O GLY A 7 8.378 62.704 -42.743 1.00 0.00 O ATOM 0 H GLY A 7 7.410 64.309 -44.076 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.364 65.706 -42.669 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.038 65.460 -41.550 1.00 0.00 H new ATOM 66 N SER A 8 10.024 63.501 -41.432 1.00 0.00 N ATOM 67 CA SER A 8 10.571 62.184 -41.130 1.00 0.00 C ATOM 68 C SER A 8 11.610 62.269 -40.016 1.00 0.00 C ATOM 69 O SER A 8 12.629 62.950 -40.134 1.00 0.00 O ATOM 70 CB SER A 8 11.199 61.570 -42.383 1.00 0.00 C ATOM 71 OG SER A 8 10.225 60.903 -43.167 1.00 0.00 O ATOM 0 H SER A 8 10.520 64.275 -40.990 1.00 0.00 H new ATOM 0 HA SER A 8 9.753 61.547 -40.792 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.674 62.352 -42.976 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.981 60.868 -42.095 1.00 0.00 H new ATOM 0 HG SER A 8 9.401 61.433 -43.186 1.00 0.00 H new ATOM 77 N PRO A 9 11.347 61.561 -38.908 1.00 0.00 N ATOM 78 CA PRO A 9 12.247 61.539 -37.750 1.00 0.00 C ATOM 79 C PRO A 9 13.544 60.791 -38.039 1.00 0.00 C ATOM 80 O PRO A 9 13.792 60.375 -39.170 1.00 0.00 O ATOM 81 CB PRO A 9 11.432 60.806 -36.682 1.00 0.00 C ATOM 82 CG PRO A 9 10.478 59.958 -37.449 1.00 0.00 C ATOM 83 CD PRO A 9 10.151 60.727 -38.698 1.00 0.00 C ATOM 0 HA PRO A 9 12.557 62.541 -37.455 1.00 0.00 H new ATOM 0 HB2 PRO A 9 12.073 60.200 -36.041 1.00 0.00 H new ATOM 0 HB3 PRO A 9 10.906 61.508 -36.035 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.922 58.992 -37.691 1.00 0.00 H new ATOM 0 HG3 PRO A 9 9.578 59.759 -36.867 1.00 0.00 H new ATOM 0 HD2 PRO A 9 9.971 60.063 -39.543 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.254 61.334 -38.573 1.00 0.00 H new ATOM 91 N GLU A 10 14.367 60.624 -37.008 1.00 0.00 N ATOM 92 CA GLU A 10 15.639 59.925 -37.153 1.00 0.00 C ATOM 93 C GLU A 10 16.214 59.556 -35.789 1.00 0.00 C ATOM 94 O GLU A 10 15.924 60.205 -34.784 1.00 0.00 O ATOM 95 CB GLU A 10 16.637 60.792 -37.922 1.00 0.00 C ATOM 96 CG GLU A 10 17.692 59.990 -38.667 1.00 0.00 C ATOM 97 CD GLU A 10 18.956 60.787 -38.923 1.00 0.00 C ATOM 98 OE1 GLU A 10 18.944 61.641 -39.834 1.00 0.00 O ATOM 99 OE2 GLU A 10 19.958 60.556 -38.214 1.00 0.00 O ATOM 0 H GLU A 10 14.176 60.963 -36.065 1.00 0.00 H new ATOM 0 HA GLU A 10 15.459 59.007 -37.713 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.093 61.412 -38.635 1.00 0.00 H new ATOM 0 HB3 GLU A 10 17.132 61.468 -37.224 1.00 0.00 H new ATOM 0 HG2 GLU A 10 17.939 59.098 -38.091 1.00 0.00 H new ATOM 0 HG3 GLU A 10 17.281 59.651 -39.618 1.00 0.00 H new ATOM 106 N TYR A 11 17.031 58.508 -35.762 1.00 0.00 N ATOM 107 CA TYR A 11 17.646 58.050 -34.522 1.00 0.00 C ATOM 108 C TYR A 11 18.780 57.070 -34.806 1.00 0.00 C ATOM 109 O TYR A 11 19.049 56.731 -35.958 1.00 0.00 O ATOM 110 CB TYR A 11 16.599 57.389 -33.623 1.00 0.00 C ATOM 111 CG TYR A 11 15.865 58.363 -32.730 1.00 0.00 C ATOM 112 CD1 TYR A 11 16.543 59.098 -31.766 1.00 0.00 C ATOM 113 CD2 TYR A 11 14.494 58.549 -32.851 1.00 0.00 C ATOM 114 CE1 TYR A 11 15.877 59.989 -30.947 1.00 0.00 C ATOM 115 CE2 TYR A 11 13.819 59.439 -32.038 1.00 0.00 C ATOM 116 CZ TYR A 11 14.515 60.156 -31.087 1.00 0.00 C ATOM 117 OH TYR A 11 13.847 61.043 -30.274 1.00 0.00 O ATOM 0 H TYR A 11 17.282 57.960 -36.585 1.00 0.00 H new ATOM 0 HA TYR A 11 18.060 58.918 -34.009 1.00 0.00 H new ATOM 0 HB2 TYR A 11 15.875 56.865 -34.247 1.00 0.00 H new ATOM 0 HB3 TYR A 11 17.088 56.638 -33.003 1.00 0.00 H new ATOM 0 HD1 TYR A 11 17.610 58.971 -31.655 1.00 0.00 H new ATOM 0 HD2 TYR A 11 13.946 57.988 -33.594 1.00 0.00 H new ATOM 0 HE1 TYR A 11 16.419 60.551 -30.202 1.00 0.00 H new ATOM 0 HE2 TYR A 11 12.753 59.573 -32.146 1.00 0.00 H new ATOM 0 HH TYR A 11 12.894 61.042 -30.502 1.00 0.00 H new ATOM 127 N GLY A 12 19.443 56.619 -33.745 1.00 0.00 N ATOM 128 CA GLY A 12 20.541 55.682 -33.900 1.00 0.00 C ATOM 129 C GLY A 12 20.686 54.757 -32.708 1.00 0.00 C ATOM 130 O GLY A 12 19.781 54.653 -31.881 1.00 0.00 O ATOM 0 H GLY A 12 19.240 56.886 -32.782 1.00 0.00 H new ATOM 0 HA2 GLY A 12 20.383 55.088 -34.800 1.00 0.00 H new ATOM 0 HA3 GLY A 12 21.469 56.235 -34.042 1.00 0.00 H new ATOM 134 N MET A 13 21.828 54.082 -32.621 1.00 0.00 N ATOM 135 CA MET A 13 22.088 53.161 -31.521 1.00 0.00 C ATOM 136 C MET A 13 23.512 52.619 -31.590 1.00 0.00 C ATOM 137 O MET A 13 23.995 52.210 -32.646 1.00 0.00 O ATOM 138 CB MET A 13 21.088 52.003 -31.550 1.00 0.00 C ATOM 139 CG MET A 13 20.945 51.289 -30.215 1.00 0.00 C ATOM 140 SD MET A 13 19.461 50.269 -30.128 1.00 0.00 S ATOM 141 CE MET A 13 18.860 50.685 -28.494 1.00 0.00 C ATOM 0 H MET A 13 22.587 54.156 -33.298 1.00 0.00 H new ATOM 0 HA MET A 13 21.972 53.710 -30.586 1.00 0.00 H new ATOM 0 HB2 MET A 13 20.113 52.383 -31.855 1.00 0.00 H new ATOM 0 HB3 MET A 13 21.401 51.283 -32.306 1.00 0.00 H new ATOM 0 HG2 MET A 13 21.821 50.663 -30.046 1.00 0.00 H new ATOM 0 HG3 MET A 13 20.921 52.027 -29.413 1.00 0.00 H new ATOM 0 HE1 MET A 13 17.943 50.132 -28.292 1.00 0.00 H new ATOM 0 HE2 MET A 13 19.613 50.422 -27.751 1.00 0.00 H new ATOM 0 HE3 MET A 13 18.657 51.755 -28.442 1.00 0.00 H new ATOM 151 N PRO A 14 24.202 52.616 -30.440 1.00 0.00 N ATOM 152 CA PRO A 14 25.581 52.127 -30.345 1.00 0.00 C ATOM 153 C PRO A 14 25.673 50.615 -30.518 1.00 0.00 C ATOM 154 O PRO A 14 24.675 49.951 -30.796 1.00 0.00 O ATOM 155 CB PRO A 14 26.003 52.531 -28.930 1.00 0.00 C ATOM 156 CG PRO A 14 24.729 52.618 -28.164 1.00 0.00 C ATOM 157 CD PRO A 14 23.689 53.089 -29.143 1.00 0.00 C ATOM 0 HA PRO A 14 26.216 52.541 -31.128 1.00 0.00 H new ATOM 0 HB2 PRO A 14 26.678 51.795 -28.493 1.00 0.00 H new ATOM 0 HB3 PRO A 14 26.530 53.485 -28.931 1.00 0.00 H new ATOM 0 HG2 PRO A 14 24.459 51.649 -27.744 1.00 0.00 H new ATOM 0 HG3 PRO A 14 24.822 53.313 -27.329 1.00 0.00 H new ATOM 0 HD2 PRO A 14 22.708 52.668 -28.921 1.00 0.00 H new ATOM 0 HD3 PRO A 14 23.582 54.174 -29.125 1.00 0.00 H new ATOM 165 N SER A 15 26.877 50.077 -30.352 1.00 0.00 N ATOM 166 CA SER A 15 27.100 48.643 -30.493 1.00 0.00 C ATOM 167 C SER A 15 28.334 48.206 -29.710 1.00 0.00 C ATOM 168 O SER A 15 29.420 48.761 -29.880 1.00 0.00 O ATOM 169 CB SER A 15 27.260 48.273 -31.969 1.00 0.00 C ATOM 170 OG SER A 15 26.014 48.311 -32.642 1.00 0.00 O ATOM 0 H SER A 15 27.713 50.613 -30.120 1.00 0.00 H new ATOM 0 HA SER A 15 26.232 48.123 -30.088 1.00 0.00 H new ATOM 0 HB2 SER A 15 27.956 48.963 -32.447 1.00 0.00 H new ATOM 0 HB3 SER A 15 27.692 47.276 -32.052 1.00 0.00 H new ATOM 0 HG SER A 15 25.364 48.805 -32.100 1.00 0.00 H new ATOM 176 N VAL A 16 28.159 47.206 -28.852 1.00 0.00 N ATOM 177 CA VAL A 16 29.258 46.692 -28.043 1.00 0.00 C ATOM 178 C VAL A 16 29.381 45.178 -28.182 1.00 0.00 C ATOM 179 O VAL A 16 28.380 44.461 -28.204 1.00 0.00 O ATOM 180 CB VAL A 16 29.074 47.046 -26.556 1.00 0.00 C ATOM 181 CG1 VAL A 16 30.178 46.422 -25.717 1.00 0.00 C ATOM 182 CG2 VAL A 16 29.039 48.555 -26.369 1.00 0.00 C ATOM 0 H VAL A 16 27.267 46.736 -28.699 1.00 0.00 H new ATOM 0 HA VAL A 16 30.169 47.164 -28.411 1.00 0.00 H new ATOM 0 HB VAL A 16 28.121 46.638 -26.219 1.00 0.00 H new ATOM 0 HG11 VAL A 16 30.031 46.684 -24.669 1.00 0.00 H new ATOM 0 HG12 VAL A 16 30.151 45.338 -25.828 1.00 0.00 H new ATOM 0 HG13 VAL A 16 31.145 46.797 -26.052 1.00 0.00 H new ATOM 0 HG21 VAL A 16 28.908 48.788 -25.312 1.00 0.00 H new ATOM 0 HG22 VAL A 16 29.975 48.987 -26.723 1.00 0.00 H new ATOM 0 HG23 VAL A 16 28.208 48.973 -26.938 1.00 0.00 H new ATOM 192 N THR A 17 30.617 44.697 -28.276 1.00 0.00 N ATOM 193 CA THR A 17 30.872 43.269 -28.413 1.00 0.00 C ATOM 194 C THR A 17 31.959 42.809 -27.448 1.00 0.00 C ATOM 195 O THR A 17 33.053 43.373 -27.414 1.00 0.00 O ATOM 196 CB THR A 17 31.294 42.909 -29.851 1.00 0.00 C ATOM 197 OG1 THR A 17 31.430 41.490 -29.981 1.00 0.00 O ATOM 198 CG2 THR A 17 32.607 43.585 -30.215 1.00 0.00 C ATOM 0 H THR A 17 31.457 45.276 -28.260 1.00 0.00 H new ATOM 0 HA THR A 17 29.939 42.758 -28.176 1.00 0.00 H new ATOM 0 HB THR A 17 30.520 43.263 -30.532 1.00 0.00 H new ATOM 0 HG1 THR A 17 31.697 41.270 -30.898 1.00 0.00 H new ATOM 0 HG21 THR A 17 32.884 43.316 -31.234 1.00 0.00 H new ATOM 0 HG22 THR A 17 32.491 44.667 -30.144 1.00 0.00 H new ATOM 0 HG23 THR A 17 33.387 43.258 -29.528 1.00 0.00 H new ATOM 206 N PHE A 18 31.650 41.781 -26.663 1.00 0.00 N ATOM 207 CA PHE A 18 32.601 41.245 -25.696 1.00 0.00 C ATOM 208 C PHE A 18 32.145 39.883 -25.183 1.00 0.00 C ATOM 209 O PHE A 18 31.074 39.397 -25.545 1.00 0.00 O ATOM 210 CB PHE A 18 32.769 42.215 -24.524 1.00 0.00 C ATOM 211 CG PHE A 18 33.637 43.398 -24.845 1.00 0.00 C ATOM 212 CD1 PHE A 18 34.916 43.221 -25.346 1.00 0.00 C ATOM 213 CD2 PHE A 18 33.173 44.688 -24.644 1.00 0.00 C ATOM 214 CE1 PHE A 18 35.717 44.308 -25.643 1.00 0.00 C ATOM 215 CE2 PHE A 18 33.968 45.779 -24.939 1.00 0.00 C ATOM 216 CZ PHE A 18 35.242 45.589 -25.438 1.00 0.00 C ATOM 0 H PHE A 18 30.749 41.303 -26.678 1.00 0.00 H new ATOM 0 HA PHE A 18 33.561 41.121 -26.197 1.00 0.00 H new ATOM 0 HB2 PHE A 18 31.786 42.569 -24.212 1.00 0.00 H new ATOM 0 HB3 PHE A 18 33.198 41.679 -23.677 1.00 0.00 H new ATOM 0 HD1 PHE A 18 35.292 42.221 -25.507 1.00 0.00 H new ATOM 0 HD2 PHE A 18 32.178 44.843 -24.252 1.00 0.00 H new ATOM 0 HE1 PHE A 18 36.712 44.156 -26.034 1.00 0.00 H new ATOM 0 HE2 PHE A 18 33.594 46.779 -24.780 1.00 0.00 H new ATOM 0 HZ PHE A 18 35.866 46.440 -25.667 1.00 0.00 H new ATOM 226 N GLY A 19 32.967 39.270 -24.336 1.00 0.00 N ATOM 227 CA GLY A 19 32.632 37.970 -23.786 1.00 0.00 C ATOM 228 C GLY A 19 33.812 37.308 -23.103 1.00 0.00 C ATOM 229 O GLY A 19 34.785 36.929 -23.756 1.00 0.00 O ATOM 0 H GLY A 19 33.859 39.651 -24.021 1.00 0.00 H new ATOM 0 HA2 GLY A 19 31.817 38.081 -23.070 1.00 0.00 H new ATOM 0 HA3 GLY A 19 32.269 37.323 -24.585 1.00 0.00 H new ATOM 233 N SER A 20 33.728 37.170 -21.783 1.00 0.00 N ATOM 234 CA SER A 20 34.800 36.554 -21.010 1.00 0.00 C ATOM 235 C SER A 20 34.243 35.837 -19.783 1.00 0.00 C ATOM 236 O SER A 20 33.194 36.209 -19.256 1.00 0.00 O ATOM 237 CB SER A 20 35.818 37.611 -20.578 1.00 0.00 C ATOM 238 OG SER A 20 36.710 37.093 -19.606 1.00 0.00 O ATOM 0 H SER A 20 32.929 37.476 -21.227 1.00 0.00 H new ATOM 0 HA SER A 20 35.296 35.820 -21.645 1.00 0.00 H new ATOM 0 HB2 SER A 20 36.381 37.955 -21.446 1.00 0.00 H new ATOM 0 HB3 SER A 20 35.297 38.478 -20.172 1.00 0.00 H new ATOM 0 HG SER A 20 37.352 37.787 -19.348 1.00 0.00 H new ATOM 244 N VAL A 21 34.952 34.807 -19.334 1.00 0.00 N ATOM 245 CA VAL A 21 34.530 34.038 -18.169 1.00 0.00 C ATOM 246 C VAL A 21 34.113 34.956 -17.026 1.00 0.00 C ATOM 247 O VAL A 21 34.938 35.671 -16.456 1.00 0.00 O ATOM 248 CB VAL A 21 35.651 33.103 -17.678 1.00 0.00 C ATOM 249 CG1 VAL A 21 35.221 32.369 -16.418 1.00 0.00 C ATOM 250 CG2 VAL A 21 36.041 32.119 -18.772 1.00 0.00 C ATOM 0 H VAL A 21 35.822 34.485 -19.759 1.00 0.00 H new ATOM 0 HA VAL A 21 33.675 33.437 -18.479 1.00 0.00 H new ATOM 0 HB VAL A 21 36.525 33.708 -17.436 1.00 0.00 H new ATOM 0 HG11 VAL A 21 36.026 31.713 -16.086 1.00 0.00 H new ATOM 0 HG12 VAL A 21 34.996 33.092 -15.634 1.00 0.00 H new ATOM 0 HG13 VAL A 21 34.332 31.774 -16.629 1.00 0.00 H new ATOM 0 HG21 VAL A 21 36.834 31.466 -18.408 1.00 0.00 H new ATOM 0 HG22 VAL A 21 35.174 31.518 -19.047 1.00 0.00 H new ATOM 0 HG23 VAL A 21 36.394 32.667 -19.645 1.00 0.00 H new ATOM 260 N HIS A 22 32.825 34.932 -16.695 1.00 0.00 N ATOM 261 CA HIS A 22 32.297 35.762 -15.619 1.00 0.00 C ATOM 262 C HIS A 22 31.849 34.903 -14.440 1.00 0.00 C ATOM 263 O HIS A 22 31.451 33.749 -14.598 1.00 0.00 O ATOM 264 CB HIS A 22 31.126 36.606 -16.124 1.00 0.00 C ATOM 265 CG HIS A 22 29.845 35.839 -16.248 1.00 0.00 C ATOM 266 ND1 HIS A 22 28.603 36.426 -16.132 1.00 0.00 N ATOM 267 CD2 HIS A 22 29.619 34.525 -16.480 1.00 0.00 C ATOM 268 CE1 HIS A 22 27.668 35.506 -16.286 1.00 0.00 C ATOM 269 NE2 HIS A 22 28.258 34.344 -16.499 1.00 0.00 N ATOM 0 H HIS A 22 32.129 34.347 -17.157 1.00 0.00 H new ATOM 0 HA HIS A 22 33.093 36.425 -15.281 1.00 0.00 H new ATOM 0 HB2 HIS A 22 30.974 37.445 -15.445 1.00 0.00 H new ATOM 0 HB3 HIS A 22 31.384 37.026 -17.096 1.00 0.00 H new ATOM 0 HD2 HIS A 22 30.369 33.761 -16.623 1.00 0.00 H new ATOM 0 HE1 HIS A 22 26.602 35.675 -16.245 1.00 0.00 H new ATOM 0 HE2 HIS A 22 27.780 33.456 -16.653 1.00 0.00 H new ATOM 278 N PRO A 23 31.916 35.476 -13.230 1.00 0.00 N ATOM 279 CA PRO A 23 31.522 34.780 -12.001 1.00 0.00 C ATOM 280 C PRO A 23 30.016 34.556 -11.920 1.00 0.00 C ATOM 281 O PRO A 23 29.245 35.182 -12.648 1.00 0.00 O ATOM 282 CB PRO A 23 31.982 35.730 -10.892 1.00 0.00 C ATOM 283 CG PRO A 23 32.000 37.076 -11.530 1.00 0.00 C ATOM 284 CD PRO A 23 32.381 36.848 -12.967 1.00 0.00 C ATOM 0 HA PRO A 23 31.961 33.785 -11.937 1.00 0.00 H new ATOM 0 HB2 PRO A 23 31.301 35.704 -10.041 1.00 0.00 H new ATOM 0 HB3 PRO A 23 32.969 35.455 -10.519 1.00 0.00 H new ATOM 0 HG2 PRO A 23 31.024 37.556 -11.456 1.00 0.00 H new ATOM 0 HG3 PRO A 23 32.716 37.733 -11.036 1.00 0.00 H new ATOM 0 HD2 PRO A 23 31.901 37.569 -13.629 1.00 0.00 H new ATOM 0 HD3 PRO A 23 33.456 36.944 -13.118 1.00 0.00 H new ATOM 292 N SER A 24 29.602 33.660 -11.029 1.00 0.00 N ATOM 293 CA SER A 24 28.188 33.351 -10.855 1.00 0.00 C ATOM 294 C SER A 24 27.914 32.832 -9.447 1.00 0.00 C ATOM 295 O SER A 24 28.546 31.879 -8.991 1.00 0.00 O ATOM 296 CB SER A 24 27.740 32.316 -11.888 1.00 0.00 C ATOM 297 OG SER A 24 26.344 32.396 -12.118 1.00 0.00 O ATOM 0 H SER A 24 30.226 33.135 -10.416 1.00 0.00 H new ATOM 0 HA SER A 24 27.620 34.270 -11.001 1.00 0.00 H new ATOM 0 HB2 SER A 24 28.276 32.476 -12.824 1.00 0.00 H new ATOM 0 HB3 SER A 24 27.998 31.316 -11.540 1.00 0.00 H new ATOM 0 HG SER A 24 26.083 31.725 -12.783 1.00 0.00 H new ATOM 303 N ASP A 25 26.969 33.467 -8.763 1.00 0.00 N ATOM 304 CA ASP A 25 26.610 33.070 -7.406 1.00 0.00 C ATOM 305 C ASP A 25 25.191 33.517 -7.067 1.00 0.00 C ATOM 306 O ASP A 25 24.933 34.705 -6.872 1.00 0.00 O ATOM 307 CB ASP A 25 27.598 33.662 -6.400 1.00 0.00 C ATOM 308 CG ASP A 25 29.033 33.583 -6.883 1.00 0.00 C ATOM 309 OD1 ASP A 25 29.680 32.542 -6.650 1.00 0.00 O ATOM 310 OD2 ASP A 25 29.508 34.564 -7.494 1.00 0.00 O ATOM 0 H ASP A 25 26.438 34.259 -9.125 1.00 0.00 H new ATOM 0 HA ASP A 25 26.653 31.982 -7.349 1.00 0.00 H new ATOM 0 HB2 ASP A 25 27.338 34.703 -6.210 1.00 0.00 H new ATOM 0 HB3 ASP A 25 27.507 33.133 -5.451 1.00 0.00 H new ATOM 315 N VAL A 26 24.274 32.557 -7.000 1.00 0.00 N ATOM 316 CA VAL A 26 22.881 32.851 -6.685 1.00 0.00 C ATOM 317 C VAL A 26 22.264 31.744 -5.837 1.00 0.00 C ATOM 318 O VAL A 26 22.344 30.564 -6.182 1.00 0.00 O ATOM 319 CB VAL A 26 22.042 33.030 -7.964 1.00 0.00 C ATOM 320 CG1 VAL A 26 20.575 33.232 -7.617 1.00 0.00 C ATOM 321 CG2 VAL A 26 22.568 34.197 -8.786 1.00 0.00 C ATOM 0 H VAL A 26 24.471 31.569 -7.160 1.00 0.00 H new ATOM 0 HA VAL A 26 22.874 33.784 -6.121 1.00 0.00 H new ATOM 0 HB VAL A 26 22.128 32.124 -8.563 1.00 0.00 H new ATOM 0 HG11 VAL A 26 19.998 33.357 -8.533 1.00 0.00 H new ATOM 0 HG12 VAL A 26 20.207 32.363 -7.072 1.00 0.00 H new ATOM 0 HG13 VAL A 26 20.467 34.122 -6.996 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.964 34.310 -9.686 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.513 35.112 -8.196 1.00 0.00 H new ATOM 0 HG23 VAL A 26 23.604 34.007 -9.066 1.00 0.00 H new ATOM 331 N LEU A 27 21.648 32.132 -4.726 1.00 0.00 N ATOM 332 CA LEU A 27 21.016 31.172 -3.827 1.00 0.00 C ATOM 333 C LEU A 27 19.810 30.516 -4.492 1.00 0.00 C ATOM 334 O LEU A 27 19.015 31.183 -5.154 1.00 0.00 O ATOM 335 CB LEU A 27 20.586 31.864 -2.532 1.00 0.00 C ATOM 336 CG LEU A 27 21.706 32.203 -1.548 1.00 0.00 C ATOM 337 CD1 LEU A 27 22.321 33.553 -1.884 1.00 0.00 C ATOM 338 CD2 LEU A 27 21.182 32.194 -0.120 1.00 0.00 C ATOM 0 H LEU A 27 21.573 33.104 -4.426 1.00 0.00 H new ATOM 0 HA LEU A 27 21.745 30.396 -3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 27 20.066 32.786 -2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 27 19.865 31.224 -2.024 1.00 0.00 H new ATOM 0 HG LEU A 27 22.482 31.442 -1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 27 23.116 33.778 -1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 27 22.733 33.524 -2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 27 21.555 34.326 -1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 27 21.993 32.437 0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 27 20.387 32.933 -0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 27 20.790 31.205 0.117 1.00 0.00 H new ATOM 350 N ASP A 28 19.679 29.207 -4.309 1.00 0.00 N ATOM 351 CA ASP A 28 18.568 28.461 -4.888 1.00 0.00 C ATOM 352 C ASP A 28 17.881 27.602 -3.831 1.00 0.00 C ATOM 353 O ASP A 28 18.391 26.550 -3.445 1.00 0.00 O ATOM 354 CB ASP A 28 19.061 27.581 -6.037 1.00 0.00 C ATOM 355 CG ASP A 28 20.355 26.864 -5.704 1.00 0.00 C ATOM 356 OD1 ASP A 28 21.413 27.527 -5.685 1.00 0.00 O ATOM 357 OD2 ASP A 28 20.309 25.640 -5.461 1.00 0.00 O ATOM 0 H ASP A 28 20.329 28.640 -3.764 1.00 0.00 H new ATOM 0 HA ASP A 28 17.843 29.178 -5.275 1.00 0.00 H new ATOM 0 HB2 ASP A 28 18.295 26.846 -6.282 1.00 0.00 H new ATOM 0 HB3 ASP A 28 19.208 28.196 -6.925 1.00 0.00 H new ATOM 362 N MET A 29 16.723 28.058 -3.366 1.00 0.00 N ATOM 363 CA MET A 29 15.966 27.330 -2.354 1.00 0.00 C ATOM 364 C MET A 29 15.793 25.868 -2.752 1.00 0.00 C ATOM 365 O MET A 29 15.637 25.533 -3.926 1.00 0.00 O ATOM 366 CB MET A 29 14.597 27.980 -2.145 1.00 0.00 C ATOM 367 CG MET A 29 14.629 29.176 -1.207 1.00 0.00 C ATOM 368 SD MET A 29 13.127 30.170 -1.299 1.00 0.00 S ATOM 369 CE MET A 29 12.128 29.392 -0.032 1.00 0.00 C ATOM 0 H MET A 29 16.288 28.928 -3.673 1.00 0.00 H new ATOM 0 HA MET A 29 16.525 27.370 -1.419 1.00 0.00 H new ATOM 0 HB2 MET A 29 14.203 28.296 -3.111 1.00 0.00 H new ATOM 0 HB3 MET A 29 13.907 27.235 -1.748 1.00 0.00 H new ATOM 0 HG2 MET A 29 14.767 28.827 -0.184 1.00 0.00 H new ATOM 0 HG3 MET A 29 15.489 29.800 -1.450 1.00 0.00 H new ATOM 0 HE1 MET A 29 11.164 29.897 0.032 1.00 0.00 H new ATOM 0 HE2 MET A 29 11.973 28.343 -0.284 1.00 0.00 H new ATOM 0 HE3 MET A 29 12.639 29.462 0.928 1.00 0.00 H new ATOM 379 N PRO A 30 15.820 24.974 -1.752 1.00 0.00 N ATOM 380 CA PRO A 30 15.667 23.533 -1.973 1.00 0.00 C ATOM 381 C PRO A 30 14.252 23.159 -2.399 1.00 0.00 C ATOM 382 O PRO A 30 13.366 24.012 -2.464 1.00 0.00 O ATOM 383 CB PRO A 30 15.992 22.928 -0.605 1.00 0.00 C ATOM 384 CG PRO A 30 15.682 24.010 0.371 1.00 0.00 C ATOM 385 CD PRO A 30 16.002 25.302 -0.328 1.00 0.00 C ATOM 0 HA PRO A 30 16.309 23.173 -2.777 1.00 0.00 H new ATOM 0 HB2 PRO A 30 15.392 22.038 -0.413 1.00 0.00 H new ATOM 0 HB3 PRO A 30 17.038 22.627 -0.544 1.00 0.00 H new ATOM 0 HG2 PRO A 30 14.634 23.977 0.670 1.00 0.00 H new ATOM 0 HG3 PRO A 30 16.276 23.899 1.278 1.00 0.00 H new ATOM 0 HD2 PRO A 30 15.336 26.105 -0.012 1.00 0.00 H new ATOM 0 HD3 PRO A 30 17.020 25.631 -0.118 1.00 0.00 H new ATOM 393 N VAL A 31 14.045 21.879 -2.689 1.00 0.00 N ATOM 394 CA VAL A 31 12.736 21.391 -3.107 1.00 0.00 C ATOM 395 C VAL A 31 11.858 21.070 -1.903 1.00 0.00 C ATOM 396 O VAL A 31 12.357 20.700 -0.839 1.00 0.00 O ATOM 397 CB VAL A 31 12.860 20.134 -3.988 1.00 0.00 C ATOM 398 CG1 VAL A 31 13.414 18.969 -3.182 1.00 0.00 C ATOM 399 CG2 VAL A 31 11.514 19.778 -4.601 1.00 0.00 C ATOM 0 H VAL A 31 14.767 21.160 -2.642 1.00 0.00 H new ATOM 0 HA VAL A 31 12.273 22.188 -3.688 1.00 0.00 H new ATOM 0 HB VAL A 31 13.557 20.347 -4.799 1.00 0.00 H new ATOM 0 HG11 VAL A 31 13.494 18.090 -3.821 1.00 0.00 H new ATOM 0 HG12 VAL A 31 14.400 19.229 -2.797 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.745 18.752 -2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.620 18.887 -5.220 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.793 19.584 -3.807 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.163 20.607 -5.215 1.00 0.00 H new ATOM 409 N ASP A 32 10.549 21.211 -2.077 1.00 0.00 N ATOM 410 CA ASP A 32 9.601 20.934 -1.004 1.00 0.00 C ATOM 411 C ASP A 32 8.566 19.904 -1.447 1.00 0.00 C ATOM 412 O ASP A 32 8.284 19.741 -2.634 1.00 0.00 O ATOM 413 CB ASP A 32 8.902 22.222 -0.567 1.00 0.00 C ATOM 414 CG ASP A 32 9.771 23.449 -0.766 1.00 0.00 C ATOM 415 OD1 ASP A 32 10.848 23.520 -0.138 1.00 0.00 O ATOM 416 OD2 ASP A 32 9.373 24.338 -1.548 1.00 0.00 O ATOM 0 H ASP A 32 10.120 21.515 -2.951 1.00 0.00 H new ATOM 0 HA ASP A 32 10.155 20.526 -0.159 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.977 22.340 -1.132 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.625 22.143 0.484 1.00 0.00 H new ATOM 421 N PRO A 33 7.986 19.190 -0.470 1.00 0.00 N ATOM 422 CA PRO A 33 6.974 18.163 -0.735 1.00 0.00 C ATOM 423 C PRO A 33 5.656 18.759 -1.216 1.00 0.00 C ATOM 424 O PRO A 33 4.685 18.038 -1.446 1.00 0.00 O ATOM 425 CB PRO A 33 6.790 17.488 0.627 1.00 0.00 C ATOM 426 CG PRO A 33 7.185 18.525 1.621 1.00 0.00 C ATOM 427 CD PRO A 33 8.273 19.331 0.967 1.00 0.00 C ATOM 0 HA PRO A 33 7.283 17.480 -1.527 1.00 0.00 H new ATOM 0 HB2 PRO A 33 5.758 17.171 0.775 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.413 16.598 0.715 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.336 19.156 1.885 1.00 0.00 H new ATOM 0 HG3 PRO A 33 7.540 18.066 2.544 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.245 20.374 1.282 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.262 18.949 1.218 1.00 0.00 H new ATOM 435 N ASN A 34 5.628 20.079 -1.368 1.00 0.00 N ATOM 436 CA ASN A 34 4.428 20.772 -1.822 1.00 0.00 C ATOM 437 C ASN A 34 3.990 20.259 -3.191 1.00 0.00 C ATOM 438 O ASN A 34 2.817 19.955 -3.403 1.00 0.00 O ATOM 439 CB ASN A 34 4.677 22.280 -1.886 1.00 0.00 C ATOM 440 CG ASN A 34 5.600 22.666 -3.027 1.00 0.00 C ATOM 441 OD1 ASN A 34 6.592 21.988 -3.293 1.00 0.00 O ATOM 442 ND2 ASN A 34 5.275 23.760 -3.706 1.00 0.00 N ATOM 0 H ASN A 34 6.423 20.690 -1.183 1.00 0.00 H new ATOM 0 HA ASN A 34 3.631 20.573 -1.106 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.725 22.798 -2.001 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.110 22.614 -0.943 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.858 24.069 -4.484 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.443 24.291 -3.450 1.00 0.00 H new ATOM 449 N GLU A 35 4.941 20.166 -4.115 1.00 0.00 N ATOM 450 CA GLU A 35 4.652 19.691 -5.462 1.00 0.00 C ATOM 451 C GLU A 35 3.837 18.402 -5.422 1.00 0.00 C ATOM 452 O GLU A 35 3.861 17.653 -4.445 1.00 0.00 O ATOM 453 CB GLU A 35 5.953 19.460 -6.235 1.00 0.00 C ATOM 454 CG GLU A 35 6.596 20.740 -6.741 1.00 0.00 C ATOM 455 CD GLU A 35 7.406 20.527 -8.005 1.00 0.00 C ATOM 456 OE1 GLU A 35 8.522 19.975 -7.907 1.00 0.00 O ATOM 457 OE2 GLU A 35 6.924 20.911 -9.091 1.00 0.00 O ATOM 0 H GLU A 35 5.918 20.413 -3.955 1.00 0.00 H new ATOM 0 HA GLU A 35 4.065 20.456 -5.971 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.661 18.938 -5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.751 18.805 -7.083 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.820 21.481 -6.932 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.242 21.149 -5.964 1.00 0.00 H new ATOM 464 N PRO A 36 3.095 18.137 -6.507 1.00 0.00 N ATOM 465 CA PRO A 36 2.257 16.939 -6.621 1.00 0.00 C ATOM 466 C PRO A 36 3.084 15.665 -6.753 1.00 0.00 C ATOM 467 O PRO A 36 4.170 15.673 -7.333 1.00 0.00 O ATOM 468 CB PRO A 36 1.452 17.190 -7.898 1.00 0.00 C ATOM 469 CG PRO A 36 2.294 18.119 -8.701 1.00 0.00 C ATOM 470 CD PRO A 36 3.018 18.986 -7.708 1.00 0.00 C ATOM 0 HA PRO A 36 1.640 16.786 -5.736 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.264 16.261 -8.436 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.481 17.630 -7.673 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.998 17.568 -9.324 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.680 18.722 -9.371 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.009 19.266 -8.066 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.476 19.911 -7.512 1.00 0.00 H new ATOM 478 N THR A 37 2.562 14.568 -6.213 1.00 0.00 N ATOM 479 CA THR A 37 3.251 13.285 -6.271 1.00 0.00 C ATOM 480 C THR A 37 2.416 12.244 -7.007 1.00 0.00 C ATOM 481 O THR A 37 1.191 12.219 -6.887 1.00 0.00 O ATOM 482 CB THR A 37 3.579 12.759 -4.860 1.00 0.00 C ATOM 483 OG1 THR A 37 2.373 12.388 -4.183 1.00 0.00 O ATOM 484 CG2 THR A 37 4.318 13.812 -4.049 1.00 0.00 C ATOM 0 H THR A 37 1.664 14.543 -5.730 1.00 0.00 H new ATOM 0 HA THR A 37 4.181 13.451 -6.815 1.00 0.00 H new ATOM 0 HB THR A 37 4.222 11.884 -4.962 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.570 12.206 -3.240 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.539 13.418 -3.057 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.249 14.071 -4.552 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.696 14.702 -3.956 1.00 0.00 H new ATOM 492 N TYR A 38 3.085 11.386 -7.769 1.00 0.00 N ATOM 493 CA TYR A 38 2.403 10.343 -8.527 1.00 0.00 C ATOM 494 C TYR A 38 2.855 8.958 -8.074 1.00 0.00 C ATOM 495 O TYR A 38 2.046 8.142 -7.632 1.00 0.00 O ATOM 496 CB TYR A 38 2.669 10.515 -10.023 1.00 0.00 C ATOM 497 CG TYR A 38 2.031 11.753 -10.613 1.00 0.00 C ATOM 498 CD1 TYR A 38 2.442 13.022 -10.226 1.00 0.00 C ATOM 499 CD2 TYR A 38 1.018 11.652 -11.559 1.00 0.00 C ATOM 500 CE1 TYR A 38 1.861 14.155 -10.762 1.00 0.00 C ATOM 501 CE2 TYR A 38 0.433 12.780 -12.101 1.00 0.00 C ATOM 502 CZ TYR A 38 0.857 14.029 -11.699 1.00 0.00 C ATOM 503 OH TYR A 38 0.278 15.156 -12.236 1.00 0.00 O ATOM 0 H TYR A 38 4.099 11.392 -7.878 1.00 0.00 H new ATOM 0 HA TYR A 38 1.333 10.435 -8.342 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.745 10.557 -10.190 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.298 9.638 -10.553 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.229 13.125 -9.494 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.683 10.675 -11.876 1.00 0.00 H new ATOM 0 HE1 TYR A 38 2.191 15.134 -10.449 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.353 12.684 -12.836 1.00 0.00 H new ATOM 0 HH TYR A 38 -0.411 14.894 -12.881 1.00 0.00 H new ATOM 513 N CYS A 39 4.153 8.700 -8.188 1.00 0.00 N ATOM 514 CA CYS A 39 4.715 7.414 -7.792 1.00 0.00 C ATOM 515 C CYS A 39 4.074 6.915 -6.500 1.00 0.00 C ATOM 516 O CYS A 39 3.534 7.699 -5.719 1.00 0.00 O ATOM 517 CB CYS A 39 6.230 7.530 -7.610 1.00 0.00 C ATOM 518 SG CYS A 39 7.084 5.930 -7.447 1.00 0.00 S ATOM 0 H CYS A 39 4.836 9.365 -8.552 1.00 0.00 H new ATOM 0 HA CYS A 39 4.504 6.695 -8.583 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.647 8.067 -8.462 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.434 8.130 -6.723 1.00 0.00 H new ATOM 523 N LEU A 40 4.136 5.606 -6.283 1.00 0.00 N ATOM 524 CA LEU A 40 3.562 5.001 -5.086 1.00 0.00 C ATOM 525 C LEU A 40 4.144 5.631 -3.825 1.00 0.00 C ATOM 526 O LEU A 40 3.417 5.944 -2.882 1.00 0.00 O ATOM 527 CB LEU A 40 3.816 3.493 -5.081 1.00 0.00 C ATOM 528 CG LEU A 40 3.834 2.810 -6.449 1.00 0.00 C ATOM 529 CD1 LEU A 40 5.256 2.720 -6.982 1.00 0.00 C ATOM 530 CD2 LEU A 40 3.206 1.427 -6.363 1.00 0.00 C ATOM 0 H LEU A 40 4.578 4.943 -6.920 1.00 0.00 H new ATOM 0 HA LEU A 40 2.487 5.182 -5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.773 3.308 -4.592 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.049 3.018 -4.470 1.00 0.00 H new ATOM 0 HG LEU A 40 3.246 3.412 -7.142 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.249 2.231 -7.956 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.671 3.723 -7.082 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.868 2.141 -6.290 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.227 0.956 -7.346 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.767 0.816 -5.655 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.173 1.517 -6.026 1.00 0.00 H new ATOM 542 N CYS A 41 5.460 5.815 -3.815 1.00 0.00 N ATOM 543 CA CYS A 41 6.141 6.409 -2.671 1.00 0.00 C ATOM 544 C CYS A 41 5.593 7.802 -2.375 1.00 0.00 C ATOM 545 O CYS A 41 5.881 8.385 -1.328 1.00 0.00 O ATOM 546 CB CYS A 41 7.647 6.486 -2.930 1.00 0.00 C ATOM 547 SG CYS A 41 8.117 7.666 -4.236 1.00 0.00 S ATOM 0 H CYS A 41 6.076 5.561 -4.587 1.00 0.00 H new ATOM 0 HA CYS A 41 5.961 5.774 -1.803 1.00 0.00 H new ATOM 0 HB2 CYS A 41 8.150 6.765 -2.004 1.00 0.00 H new ATOM 0 HB3 CYS A 41 8.009 5.495 -3.203 1.00 0.00 H new ATOM 552 N HIS A 42 4.802 8.330 -3.303 1.00 0.00 N ATOM 553 CA HIS A 42 4.212 9.655 -3.142 1.00 0.00 C ATOM 554 C HIS A 42 5.296 10.727 -3.072 1.00 0.00 C ATOM 555 O HIS A 42 5.341 11.515 -2.128 1.00 0.00 O ATOM 556 CB HIS A 42 3.350 9.702 -1.880 1.00 0.00 C ATOM 557 CG HIS A 42 2.093 8.894 -1.983 1.00 0.00 C ATOM 558 ND1 HIS A 42 1.466 8.334 -0.890 1.00 0.00 N ATOM 559 CD2 HIS A 42 1.344 8.555 -3.058 1.00 0.00 C ATOM 560 CE1 HIS A 42 0.388 7.684 -1.288 1.00 0.00 C ATOM 561 NE2 HIS A 42 0.291 7.803 -2.600 1.00 0.00 N ATOM 0 H HIS A 42 4.554 7.861 -4.174 1.00 0.00 H new ATOM 0 HA HIS A 42 3.584 9.854 -4.010 1.00 0.00 H new ATOM 0 HB2 HIS A 42 3.937 9.340 -1.036 1.00 0.00 H new ATOM 0 HB3 HIS A 42 3.089 10.739 -1.666 1.00 0.00 H new ATOM 0 HD2 HIS A 42 1.539 8.826 -4.085 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -0.298 7.147 -0.650 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -0.447 7.401 -3.179 1.00 0.00 H new ATOM 570 N GLN A 43 6.165 10.749 -4.077 1.00 0.00 N ATOM 571 CA GLN A 43 7.248 11.723 -4.128 1.00 0.00 C ATOM 572 C GLN A 43 7.096 12.644 -5.335 1.00 0.00 C ATOM 573 O GLN A 43 6.394 12.319 -6.292 1.00 0.00 O ATOM 574 CB GLN A 43 8.601 11.011 -4.182 1.00 0.00 C ATOM 575 CG GLN A 43 9.087 10.524 -2.827 1.00 0.00 C ATOM 576 CD GLN A 43 8.850 11.536 -1.724 1.00 0.00 C ATOM 577 OE1 GLN A 43 9.727 12.339 -1.404 1.00 0.00 O ATOM 578 NE2 GLN A 43 7.660 11.504 -1.135 1.00 0.00 N ATOM 0 H GLN A 43 6.140 10.104 -4.867 1.00 0.00 H new ATOM 0 HA GLN A 43 7.200 12.329 -3.223 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.528 10.160 -4.860 1.00 0.00 H new ATOM 0 HB3 GLN A 43 9.343 11.690 -4.602 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.579 9.593 -2.576 1.00 0.00 H new ATOM 0 HG3 GLN A 43 10.152 10.300 -2.886 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.962 10.822 -1.432 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.444 12.162 -0.386 1.00 0.00 H new ATOM 587 N VAL A 44 7.759 13.795 -5.282 1.00 0.00 N ATOM 588 CA VAL A 44 7.698 14.762 -6.371 1.00 0.00 C ATOM 589 C VAL A 44 8.425 14.245 -7.607 1.00 0.00 C ATOM 590 O VAL A 44 9.540 13.733 -7.516 1.00 0.00 O ATOM 591 CB VAL A 44 8.312 16.113 -5.957 1.00 0.00 C ATOM 592 CG1 VAL A 44 9.757 15.931 -5.518 1.00 0.00 C ATOM 593 CG2 VAL A 44 8.214 17.115 -7.097 1.00 0.00 C ATOM 0 H VAL A 44 8.344 14.080 -4.497 1.00 0.00 H new ATOM 0 HA VAL A 44 6.644 14.906 -6.607 1.00 0.00 H new ATOM 0 HB VAL A 44 7.747 16.505 -5.111 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.174 16.896 -5.229 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.796 15.250 -4.668 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.338 15.517 -6.342 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.653 18.063 -6.787 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.752 16.733 -7.964 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.167 17.268 -7.358 1.00 0.00 H new ATOM 603 N SER A 45 7.785 14.383 -8.764 1.00 0.00 N ATOM 604 CA SER A 45 8.368 13.926 -10.020 1.00 0.00 C ATOM 605 C SER A 45 9.521 14.831 -10.444 1.00 0.00 C ATOM 606 O SER A 45 9.358 16.045 -10.569 1.00 0.00 O ATOM 607 CB SER A 45 7.304 13.888 -11.118 1.00 0.00 C ATOM 608 OG SER A 45 6.915 15.197 -11.496 1.00 0.00 O ATOM 0 H SER A 45 6.862 14.808 -8.857 1.00 0.00 H new ATOM 0 HA SER A 45 8.756 12.919 -9.866 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.692 13.355 -11.986 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.434 13.334 -10.767 1.00 0.00 H new ATOM 0 HG SER A 45 7.584 15.841 -11.182 1.00 0.00 H new ATOM 614 N TYR A 46 10.685 14.232 -10.665 1.00 0.00 N ATOM 615 CA TYR A 46 11.867 14.983 -11.073 1.00 0.00 C ATOM 616 C TYR A 46 12.227 14.684 -12.525 1.00 0.00 C ATOM 617 O TYR A 46 12.136 15.553 -13.390 1.00 0.00 O ATOM 618 CB TYR A 46 13.049 14.648 -10.162 1.00 0.00 C ATOM 619 CG TYR A 46 12.912 13.318 -9.456 1.00 0.00 C ATOM 620 CD1 TYR A 46 12.172 13.203 -8.286 1.00 0.00 C ATOM 621 CD2 TYR A 46 13.522 12.175 -9.960 1.00 0.00 C ATOM 622 CE1 TYR A 46 12.045 11.991 -7.637 1.00 0.00 C ATOM 623 CE2 TYR A 46 13.399 10.958 -9.318 1.00 0.00 C ATOM 624 CZ TYR A 46 12.659 10.871 -8.157 1.00 0.00 C ATOM 625 OH TYR A 46 12.534 9.661 -7.514 1.00 0.00 O ATOM 0 H TYR A 46 10.836 13.228 -10.569 1.00 0.00 H new ATOM 0 HA TYR A 46 11.640 16.046 -10.986 1.00 0.00 H new ATOM 0 HB2 TYR A 46 13.964 14.642 -10.755 1.00 0.00 H new ATOM 0 HB3 TYR A 46 13.157 15.436 -9.417 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.687 14.077 -7.877 1.00 0.00 H new ATOM 0 HD2 TYR A 46 14.102 12.240 -10.869 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.468 11.920 -6.727 1.00 0.00 H new ATOM 0 HE2 TYR A 46 13.880 10.080 -9.723 1.00 0.00 H new ATOM 0 HH TYR A 46 12.901 8.950 -8.080 1.00 0.00 H new ATOM 635 N GLY A 47 12.638 13.446 -12.783 1.00 0.00 N ATOM 636 CA GLY A 47 13.006 13.053 -14.131 1.00 0.00 C ATOM 637 C GLY A 47 12.953 11.552 -14.332 1.00 0.00 C ATOM 638 O GLY A 47 12.439 11.072 -15.341 1.00 0.00 O ATOM 0 H GLY A 47 12.723 12.709 -12.083 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.336 13.536 -14.843 1.00 0.00 H new ATOM 0 HA3 GLY A 47 14.013 13.410 -14.348 1.00 0.00 H new ATOM 642 N GLU A 48 13.488 10.808 -13.368 1.00 0.00 N ATOM 643 CA GLU A 48 13.502 9.352 -13.446 1.00 0.00 C ATOM 644 C GLU A 48 12.082 8.793 -13.422 1.00 0.00 C ATOM 645 O GLU A 48 11.505 8.583 -12.355 1.00 0.00 O ATOM 646 CB GLU A 48 14.313 8.765 -12.290 1.00 0.00 C ATOM 647 CG GLU A 48 15.720 9.329 -12.185 1.00 0.00 C ATOM 648 CD GLU A 48 16.569 8.595 -11.165 1.00 0.00 C ATOM 649 OE1 GLU A 48 16.363 8.817 -9.954 1.00 0.00 O ATOM 650 OE2 GLU A 48 17.438 7.799 -11.578 1.00 0.00 O ATOM 0 H GLU A 48 13.917 11.190 -12.525 1.00 0.00 H new ATOM 0 HA GLU A 48 13.970 9.068 -14.389 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.785 8.952 -11.355 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.372 7.683 -12.411 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.203 9.274 -13.161 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.665 10.384 -11.915 1.00 0.00 H new ATOM 657 N MET A 49 11.526 8.554 -14.605 1.00 0.00 N ATOM 658 CA MET A 49 10.174 8.018 -14.719 1.00 0.00 C ATOM 659 C MET A 49 10.014 7.218 -16.008 1.00 0.00 C ATOM 660 O MET A 49 10.674 7.498 -17.009 1.00 0.00 O ATOM 661 CB MET A 49 9.148 9.152 -14.678 1.00 0.00 C ATOM 662 CG MET A 49 9.231 10.001 -13.419 1.00 0.00 C ATOM 663 SD MET A 49 7.788 11.061 -13.201 1.00 0.00 S ATOM 664 CE MET A 49 6.824 10.087 -12.047 1.00 0.00 C ATOM 0 H MET A 49 11.990 8.723 -15.498 1.00 0.00 H new ATOM 0 HA MET A 49 10.001 7.351 -13.874 1.00 0.00 H new ATOM 0 HB2 MET A 49 9.291 9.792 -15.548 1.00 0.00 H new ATOM 0 HB3 MET A 49 8.147 8.728 -14.755 1.00 0.00 H new ATOM 0 HG2 MET A 49 9.333 9.349 -12.552 1.00 0.00 H new ATOM 0 HG3 MET A 49 10.128 10.619 -13.460 1.00 0.00 H new ATOM 0 HE1 MET A 49 5.950 10.657 -11.731 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.501 9.165 -12.530 1.00 0.00 H new ATOM 0 HE3 MET A 49 7.434 9.846 -11.176 1.00 0.00 H new ATOM 674 N ILE A 50 9.134 6.224 -15.976 1.00 0.00 N ATOM 675 CA ILE A 50 8.887 5.385 -17.142 1.00 0.00 C ATOM 676 C ILE A 50 7.422 5.445 -17.562 1.00 0.00 C ATOM 677 O ILE A 50 7.093 5.258 -18.733 1.00 0.00 O ATOM 678 CB ILE A 50 9.272 3.918 -16.872 1.00 0.00 C ATOM 679 CG1 ILE A 50 8.143 3.200 -16.130 1.00 0.00 C ATOM 680 CG2 ILE A 50 10.566 3.848 -16.074 1.00 0.00 C ATOM 681 CD1 ILE A 50 8.189 3.390 -14.630 1.00 0.00 C ATOM 0 H ILE A 50 8.580 5.980 -15.155 1.00 0.00 H new ATOM 0 HA ILE A 50 9.510 5.773 -17.948 1.00 0.00 H new ATOM 0 HB ILE A 50 9.430 3.417 -17.827 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.185 3.562 -16.505 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.191 2.135 -16.355 1.00 0.00 H new ATOM 0 HG21 ILE A 50 10.825 2.805 -15.891 1.00 0.00 H new ATOM 0 HG22 ILE A 50 11.367 4.327 -16.637 1.00 0.00 H new ATOM 0 HG23 ILE A 50 10.434 4.361 -15.122 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.359 2.853 -14.170 1.00 0.00 H new ATOM 0 HD12 ILE A 50 9.131 3.002 -14.243 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.110 4.451 -14.395 1.00 0.00 H new ATOM 693 N GLY A 51 6.545 5.708 -16.598 1.00 0.00 N ATOM 694 CA GLY A 51 5.126 5.790 -16.888 1.00 0.00 C ATOM 695 C GLY A 51 4.550 4.465 -17.345 1.00 0.00 C ATOM 696 O GLY A 51 5.054 3.851 -18.285 1.00 0.00 O ATOM 0 H GLY A 51 6.792 5.866 -15.621 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.595 6.125 -15.997 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.959 6.541 -17.660 1.00 0.00 H new ATOM 700 N CYS A 52 3.491 4.020 -16.676 1.00 0.00 N ATOM 701 CA CYS A 52 2.847 2.757 -17.016 1.00 0.00 C ATOM 702 C CYS A 52 2.230 2.820 -18.411 1.00 0.00 C ATOM 703 O CYS A 52 1.478 3.742 -18.728 1.00 0.00 O ATOM 704 CB CYS A 52 1.769 2.416 -15.985 1.00 0.00 C ATOM 705 SG CYS A 52 1.143 0.710 -16.100 1.00 0.00 S ATOM 0 H CYS A 52 3.061 4.516 -15.895 1.00 0.00 H new ATOM 0 HA CYS A 52 3.608 1.976 -17.008 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.174 2.577 -14.986 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.934 3.107 -16.106 1.00 0.00 H new ATOM 710 N ASP A 53 2.552 1.833 -19.239 1.00 0.00 N ATOM 711 CA ASP A 53 2.030 1.774 -20.599 1.00 0.00 C ATOM 712 C ASP A 53 0.506 1.694 -20.593 1.00 0.00 C ATOM 713 O ASP A 53 -0.149 2.068 -21.564 1.00 0.00 O ATOM 714 CB ASP A 53 2.613 0.570 -21.341 1.00 0.00 C ATOM 715 CG ASP A 53 2.468 0.691 -22.845 1.00 0.00 C ATOM 716 OD1 ASP A 53 1.319 0.663 -23.335 1.00 0.00 O ATOM 717 OD2 ASP A 53 3.503 0.815 -23.532 1.00 0.00 O ATOM 0 H ASP A 53 3.173 1.062 -18.992 1.00 0.00 H new ATOM 0 HA ASP A 53 2.327 2.687 -21.115 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.668 0.467 -21.088 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.114 -0.338 -21.003 1.00 0.00 H new ATOM 722 N ASN A 54 -0.051 1.203 -19.490 1.00 0.00 N ATOM 723 CA ASN A 54 -1.497 1.072 -19.358 1.00 0.00 C ATOM 724 C ASN A 54 -2.155 2.440 -19.201 1.00 0.00 C ATOM 725 O ASN A 54 -1.879 3.184 -18.259 1.00 0.00 O ATOM 726 CB ASN A 54 -1.843 0.186 -18.159 1.00 0.00 C ATOM 727 CG ASN A 54 -3.330 -0.088 -18.053 1.00 0.00 C ATOM 728 OD1 ASN A 54 -4.032 -0.165 -19.061 1.00 0.00 O ATOM 729 ND2 ASN A 54 -3.818 -0.238 -16.827 1.00 0.00 N ATOM 0 H ASN A 54 0.477 0.890 -18.676 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.879 0.607 -20.267 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.307 -0.760 -18.243 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.499 0.667 -17.244 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.812 -0.425 -16.693 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.199 -0.166 -16.019 1.00 0.00 H new ATOM 736 N PRO A 55 -3.046 2.780 -20.143 1.00 0.00 N ATOM 737 CA PRO A 55 -3.763 4.058 -20.131 1.00 0.00 C ATOM 738 C PRO A 55 -4.781 4.141 -18.999 1.00 0.00 C ATOM 739 O PRO A 55 -5.117 5.230 -18.532 1.00 0.00 O ATOM 740 CB PRO A 55 -4.469 4.083 -21.489 1.00 0.00 C ATOM 741 CG PRO A 55 -4.624 2.648 -21.861 1.00 0.00 C ATOM 742 CD PRO A 55 -3.424 1.942 -21.294 1.00 0.00 C ATOM 0 HA PRO A 55 -3.090 4.901 -19.970 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.436 4.582 -21.424 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.881 4.623 -22.231 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -5.548 2.237 -21.454 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.672 2.528 -22.943 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.664 0.924 -20.988 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.617 1.873 -22.023 1.00 0.00 H new ATOM 750 N ASP A 56 -5.270 2.985 -18.563 1.00 0.00 N ATOM 751 CA ASP A 56 -6.249 2.927 -17.485 1.00 0.00 C ATOM 752 C ASP A 56 -5.595 3.229 -16.140 1.00 0.00 C ATOM 753 O ASP A 56 -6.195 3.869 -15.276 1.00 0.00 O ATOM 754 CB ASP A 56 -6.914 1.550 -17.445 1.00 0.00 C ATOM 755 CG ASP A 56 -8.100 1.507 -16.501 1.00 0.00 C ATOM 756 OD1 ASP A 56 -8.840 2.510 -16.432 1.00 0.00 O ATOM 757 OD2 ASP A 56 -8.287 0.471 -15.829 1.00 0.00 O ATOM 0 H ASP A 56 -5.004 2.075 -18.940 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.010 3.684 -17.677 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.242 1.279 -18.448 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.181 0.804 -17.137 1.00 0.00 H new ATOM 762 N CYS A 57 -4.363 2.763 -15.969 1.00 0.00 N ATOM 763 CA CYS A 57 -3.627 2.981 -14.730 1.00 0.00 C ATOM 764 C CYS A 57 -3.781 4.423 -14.252 1.00 0.00 C ATOM 765 O CYS A 57 -3.421 5.364 -14.960 1.00 0.00 O ATOM 766 CB CYS A 57 -2.146 2.653 -14.927 1.00 0.00 C ATOM 767 SG CYS A 57 -1.267 2.229 -13.388 1.00 0.00 S ATOM 0 H CYS A 57 -3.853 2.231 -16.674 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.041 2.318 -13.970 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.059 1.819 -15.624 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.654 3.508 -15.390 1.00 0.00 H new ATOM 772 N SER A 58 -4.318 4.587 -13.047 1.00 0.00 N ATOM 773 CA SER A 58 -4.523 5.913 -12.476 1.00 0.00 C ATOM 774 C SER A 58 -3.192 6.634 -12.285 1.00 0.00 C ATOM 775 O SER A 58 -3.031 7.783 -12.697 1.00 0.00 O ATOM 776 CB SER A 58 -5.255 5.807 -11.137 1.00 0.00 C ATOM 777 OG SER A 58 -6.632 5.535 -11.329 1.00 0.00 O ATOM 0 H SER A 58 -4.619 3.818 -12.448 1.00 0.00 H new ATOM 0 HA SER A 58 -5.133 6.490 -13.171 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.806 5.017 -10.535 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.139 6.737 -10.581 1.00 0.00 H new ATOM 0 HG SER A 58 -7.077 5.470 -10.458 1.00 0.00 H new ATOM 783 N ILE A 59 -2.241 5.950 -11.658 1.00 0.00 N ATOM 784 CA ILE A 59 -0.923 6.524 -11.413 1.00 0.00 C ATOM 785 C ILE A 59 -0.134 6.663 -12.710 1.00 0.00 C ATOM 786 O ILE A 59 0.169 7.772 -13.148 1.00 0.00 O ATOM 787 CB ILE A 59 -0.113 5.670 -10.421 1.00 0.00 C ATOM 788 CG1 ILE A 59 -0.878 5.513 -9.105 1.00 0.00 C ATOM 789 CG2 ILE A 59 1.252 6.295 -10.175 1.00 0.00 C ATOM 790 CD1 ILE A 59 -0.325 4.426 -8.210 1.00 0.00 C ATOM 0 H ILE A 59 -2.358 4.998 -11.310 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.084 7.512 -10.982 1.00 0.00 H new ATOM 0 HB ILE A 59 0.035 4.680 -10.854 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.857 6.461 -8.567 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.923 5.294 -9.325 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.813 5.679 -9.471 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.798 6.359 -11.116 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.125 7.295 -9.761 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.916 4.372 -7.296 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.371 3.469 -8.729 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.711 4.653 -7.959 1.00 0.00 H new ATOM 802 N GLU A 60 0.194 5.528 -13.321 1.00 0.00 N ATOM 803 CA GLU A 60 0.947 5.524 -14.570 1.00 0.00 C ATOM 804 C GLU A 60 2.154 6.454 -14.481 1.00 0.00 C ATOM 805 O GLU A 60 2.490 7.145 -15.443 1.00 0.00 O ATOM 806 CB GLU A 60 0.049 5.945 -15.735 1.00 0.00 C ATOM 807 CG GLU A 60 -0.420 7.388 -15.650 1.00 0.00 C ATOM 808 CD GLU A 60 -0.954 7.905 -16.972 1.00 0.00 C ATOM 809 OE1 GLU A 60 -1.773 7.200 -17.597 1.00 0.00 O ATOM 810 OE2 GLU A 60 -0.552 9.015 -17.381 1.00 0.00 O ATOM 0 H GLU A 60 -0.050 4.601 -12.972 1.00 0.00 H new ATOM 0 HA GLU A 60 1.304 4.509 -14.745 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.590 5.802 -16.670 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.822 5.290 -15.767 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.198 7.469 -14.891 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.409 8.017 -15.326 1.00 0.00 H new ATOM 817 N TRP A 61 2.799 6.467 -13.320 1.00 0.00 N ATOM 818 CA TRP A 61 3.967 7.313 -13.105 1.00 0.00 C ATOM 819 C TRP A 61 4.735 6.874 -11.863 1.00 0.00 C ATOM 820 O TRP A 61 4.204 6.896 -10.752 1.00 0.00 O ATOM 821 CB TRP A 61 3.545 8.776 -12.967 1.00 0.00 C ATOM 822 CG TRP A 61 3.208 9.423 -14.277 1.00 0.00 C ATOM 823 CD1 TRP A 61 1.975 9.841 -14.692 1.00 0.00 C ATOM 824 CD2 TRP A 61 4.115 9.722 -15.343 1.00 0.00 C ATOM 825 NE1 TRP A 61 2.062 10.382 -15.951 1.00 0.00 N ATOM 826 CE2 TRP A 61 3.364 10.322 -16.373 1.00 0.00 C ATOM 827 CE3 TRP A 61 5.489 9.543 -15.528 1.00 0.00 C ATOM 828 CZ2 TRP A 61 3.942 10.742 -17.568 1.00 0.00 C ATOM 829 CZ3 TRP A 61 6.061 9.961 -16.714 1.00 0.00 C ATOM 830 CH2 TRP A 61 5.289 10.555 -17.722 1.00 0.00 C ATOM 0 H TRP A 61 2.533 5.902 -12.514 1.00 0.00 H new ATOM 0 HA TRP A 61 4.622 7.212 -13.970 1.00 0.00 H new ATOM 0 HB2 TRP A 61 2.680 8.836 -12.307 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.350 9.335 -12.490 1.00 0.00 H new ATOM 0 HD1 TRP A 61 1.066 9.758 -14.115 1.00 0.00 H new ATOM 0 HE1 TRP A 61 1.283 10.766 -16.486 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.092 9.086 -14.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.348 11.199 -18.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 7.122 9.828 -16.867 1.00 0.00 H new ATOM 0 HH2 TRP A 61 5.766 10.871 -18.638 1.00 0.00 H new ATOM 841 N PHE A 62 5.988 6.476 -12.057 1.00 0.00 N ATOM 842 CA PHE A 62 6.829 6.031 -10.952 1.00 0.00 C ATOM 843 C PHE A 62 8.296 6.355 -11.220 1.00 0.00 C ATOM 844 O PHE A 62 8.629 7.000 -12.215 1.00 0.00 O ATOM 845 CB PHE A 62 6.660 4.527 -10.728 1.00 0.00 C ATOM 846 CG PHE A 62 5.231 4.069 -10.787 1.00 0.00 C ATOM 847 CD1 PHE A 62 4.397 4.215 -9.691 1.00 0.00 C ATOM 848 CD2 PHE A 62 4.722 3.492 -11.940 1.00 0.00 C ATOM 849 CE1 PHE A 62 3.081 3.794 -9.743 1.00 0.00 C ATOM 850 CE2 PHE A 62 3.408 3.069 -11.998 1.00 0.00 C ATOM 851 CZ PHE A 62 2.586 3.221 -10.899 1.00 0.00 C ATOM 0 H PHE A 62 6.443 6.453 -12.969 1.00 0.00 H new ATOM 0 HA PHE A 62 6.516 6.563 -10.053 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.237 3.989 -11.480 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.078 4.263 -9.756 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.779 4.663 -8.785 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.360 3.372 -12.803 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.441 3.913 -8.881 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.024 2.620 -12.902 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.558 2.893 -10.943 1.00 0.00 H new ATOM 861 N HIS A 63 9.169 5.904 -10.324 1.00 0.00 N ATOM 862 CA HIS A 63 10.600 6.146 -10.463 1.00 0.00 C ATOM 863 C HIS A 63 11.344 4.848 -10.761 1.00 0.00 C ATOM 864 O HIS A 63 10.732 3.790 -10.912 1.00 0.00 O ATOM 865 CB HIS A 63 11.157 6.786 -9.191 1.00 0.00 C ATOM 866 CG HIS A 63 10.502 8.086 -8.838 1.00 0.00 C ATOM 867 ND1 HIS A 63 9.723 8.255 -7.713 1.00 0.00 N ATOM 868 CD2 HIS A 63 10.514 9.283 -9.469 1.00 0.00 C ATOM 869 CE1 HIS A 63 9.283 9.500 -7.667 1.00 0.00 C ATOM 870 NE2 HIS A 63 9.750 10.145 -8.721 1.00 0.00 N ATOM 0 H HIS A 63 8.910 5.369 -9.495 1.00 0.00 H new ATOM 0 HA HIS A 63 10.748 6.829 -11.299 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.035 6.090 -8.361 1.00 0.00 H new ATOM 0 HB3 HIS A 63 12.227 6.950 -9.315 1.00 0.00 H new ATOM 0 HD2 HIS A 63 11.028 9.517 -10.389 1.00 0.00 H new ATOM 0 HE1 HIS A 63 8.650 9.919 -6.899 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.572 11.124 -8.943 1.00 0.00 H new ATOM 878 N PHE A 64 12.668 4.935 -10.845 1.00 0.00 N ATOM 879 CA PHE A 64 13.495 3.768 -11.126 1.00 0.00 C ATOM 880 C PHE A 64 14.001 3.135 -9.833 1.00 0.00 C ATOM 881 O PHE A 64 14.079 1.913 -9.717 1.00 0.00 O ATOM 882 CB PHE A 64 14.678 4.157 -12.014 1.00 0.00 C ATOM 883 CG PHE A 64 14.285 4.967 -13.216 1.00 0.00 C ATOM 884 CD1 PHE A 64 12.966 5.010 -13.638 1.00 0.00 C ATOM 885 CD2 PHE A 64 15.235 5.685 -13.925 1.00 0.00 C ATOM 886 CE1 PHE A 64 12.600 5.755 -14.743 1.00 0.00 C ATOM 887 CE2 PHE A 64 14.875 6.432 -15.031 1.00 0.00 C ATOM 888 CZ PHE A 64 13.557 6.466 -15.441 1.00 0.00 C ATOM 0 H PHE A 64 13.191 5.802 -10.722 1.00 0.00 H new ATOM 0 HA PHE A 64 12.881 3.037 -11.651 1.00 0.00 H new ATOM 0 HB2 PHE A 64 15.395 4.725 -11.422 1.00 0.00 H new ATOM 0 HB3 PHE A 64 15.186 3.251 -12.346 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.215 4.454 -13.097 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.268 5.661 -13.610 1.00 0.00 H new ATOM 0 HE1 PHE A 64 11.568 5.781 -15.060 1.00 0.00 H new ATOM 0 HE2 PHE A 64 15.624 6.989 -15.574 1.00 0.00 H new ATOM 0 HZ PHE A 64 13.275 7.048 -16.306 1.00 0.00 H new ATOM 898 N ALA A 65 14.344 3.978 -8.864 1.00 0.00 N ATOM 899 CA ALA A 65 14.841 3.502 -7.579 1.00 0.00 C ATOM 900 C ALA A 65 13.694 3.075 -6.670 1.00 0.00 C ATOM 901 O ALA A 65 13.862 2.951 -5.457 1.00 0.00 O ATOM 902 CB ALA A 65 15.677 4.580 -6.905 1.00 0.00 C ATOM 0 H ALA A 65 14.287 4.993 -8.945 1.00 0.00 H new ATOM 0 HA ALA A 65 15.469 2.630 -7.761 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.042 4.211 -5.946 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.524 4.835 -7.542 1.00 0.00 H new ATOM 0 HB3 ALA A 65 15.065 5.467 -6.743 1.00 0.00 H new ATOM 908 N CYS A 66 12.527 2.850 -7.265 1.00 0.00 N ATOM 909 CA CYS A 66 11.350 2.437 -6.510 1.00 0.00 C ATOM 910 C CYS A 66 10.851 1.075 -6.982 1.00 0.00 C ATOM 911 O CYS A 66 10.264 0.315 -6.212 1.00 0.00 O ATOM 912 CB CYS A 66 10.237 3.477 -6.650 1.00 0.00 C ATOM 913 SG CYS A 66 10.468 4.958 -5.614 1.00 0.00 S ATOM 0 H CYS A 66 12.371 2.947 -8.268 1.00 0.00 H new ATOM 0 HA CYS A 66 11.633 2.357 -5.460 1.00 0.00 H new ATOM 0 HB2 CYS A 66 10.170 3.784 -7.694 1.00 0.00 H new ATOM 0 HB3 CYS A 66 9.285 3.012 -6.393 1.00 0.00 H new ATOM 918 N VAL A 67 11.088 0.773 -8.255 1.00 0.00 N ATOM 919 CA VAL A 67 10.664 -0.498 -8.831 1.00 0.00 C ATOM 920 C VAL A 67 11.852 -1.270 -9.393 1.00 0.00 C ATOM 921 O VAL A 67 11.891 -2.498 -9.337 1.00 0.00 O ATOM 922 CB VAL A 67 9.626 -0.289 -9.949 1.00 0.00 C ATOM 923 CG1 VAL A 67 8.367 0.361 -9.394 1.00 0.00 C ATOM 924 CG2 VAL A 67 10.216 0.548 -11.074 1.00 0.00 C ATOM 0 H VAL A 67 11.571 1.391 -8.907 1.00 0.00 H new ATOM 0 HA VAL A 67 10.208 -1.074 -8.026 1.00 0.00 H new ATOM 0 HB VAL A 67 9.354 -1.263 -10.356 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.645 0.501 -10.198 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.935 -0.280 -8.626 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.618 1.329 -8.960 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.469 0.686 -11.855 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.517 1.520 -10.685 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.085 0.038 -11.489 1.00 0.00 H new ATOM 934 N GLY A 68 12.822 -0.540 -9.936 1.00 0.00 N ATOM 935 CA GLY A 68 14.000 -1.173 -10.501 1.00 0.00 C ATOM 936 C GLY A 68 14.124 -0.938 -11.993 1.00 0.00 C ATOM 937 O GLY A 68 13.981 -1.867 -12.790 1.00 0.00 O ATOM 0 H GLY A 68 12.813 0.478 -9.995 1.00 0.00 H new ATOM 0 HA2 GLY A 68 14.890 -0.790 -10.001 1.00 0.00 H new ATOM 0 HA3 GLY A 68 13.961 -2.245 -10.307 1.00 0.00 H new ATOM 941 N LEU A 69 14.389 0.306 -12.375 1.00 0.00 N ATOM 942 CA LEU A 69 14.531 0.661 -13.782 1.00 0.00 C ATOM 943 C LEU A 69 15.752 1.550 -13.999 1.00 0.00 C ATOM 944 O LEU A 69 15.629 2.702 -14.416 1.00 0.00 O ATOM 945 CB LEU A 69 13.272 1.375 -14.278 1.00 0.00 C ATOM 946 CG LEU A 69 12.064 0.483 -14.565 1.00 0.00 C ATOM 947 CD1 LEU A 69 10.770 1.231 -14.287 1.00 0.00 C ATOM 948 CD2 LEU A 69 12.097 -0.015 -16.002 1.00 0.00 C ATOM 0 H LEU A 69 14.510 1.086 -11.729 1.00 0.00 H new ATOM 0 HA LEU A 69 14.668 -0.259 -14.351 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.982 2.117 -13.534 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.522 1.918 -15.189 1.00 0.00 H new ATOM 0 HG LEU A 69 12.109 -0.381 -13.902 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.921 0.580 -14.497 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.743 1.536 -13.241 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.716 2.114 -14.924 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.229 -0.648 -16.188 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.077 0.836 -16.683 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.008 -0.590 -16.167 1.00 0.00 H new ATOM 960 N THR A 70 16.931 1.006 -13.716 1.00 0.00 N ATOM 961 CA THR A 70 18.175 1.749 -13.881 1.00 0.00 C ATOM 962 C THR A 70 18.058 2.774 -15.003 1.00 0.00 C ATOM 963 O THR A 70 18.558 3.894 -14.889 1.00 0.00 O ATOM 964 CB THR A 70 19.356 0.807 -14.182 1.00 0.00 C ATOM 965 OG1 THR A 70 20.515 1.571 -14.531 1.00 0.00 O ATOM 966 CG2 THR A 70 19.011 -0.149 -15.314 1.00 0.00 C ATOM 0 H THR A 70 17.051 0.054 -13.371 1.00 0.00 H new ATOM 0 HA THR A 70 18.363 2.265 -12.939 1.00 0.00 H new ATOM 0 HB THR A 70 19.564 0.222 -13.286 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.262 0.965 -14.719 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.860 -0.804 -15.508 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.146 -0.750 -15.032 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.779 0.421 -16.214 1.00 0.00 H new ATOM 974 N THR A 71 17.395 2.384 -16.087 1.00 0.00 N ATOM 975 CA THR A 71 17.214 3.270 -17.231 1.00 0.00 C ATOM 976 C THR A 71 15.777 3.226 -17.737 1.00 0.00 C ATOM 977 O THR A 71 15.083 2.221 -17.583 1.00 0.00 O ATOM 978 CB THR A 71 18.164 2.899 -18.385 1.00 0.00 C ATOM 979 OG1 THR A 71 17.923 1.551 -18.805 1.00 0.00 O ATOM 980 CG2 THR A 71 19.617 3.050 -17.960 1.00 0.00 C ATOM 0 H THR A 71 16.975 1.461 -16.197 1.00 0.00 H new ATOM 0 HA THR A 71 17.446 4.279 -16.890 1.00 0.00 H new ATOM 0 HB THR A 71 17.972 3.578 -19.216 1.00 0.00 H new ATOM 0 HG1 THR A 71 18.530 1.324 -19.540 1.00 0.00 H new ATOM 0 HG21 THR A 71 20.269 2.782 -18.792 1.00 0.00 H new ATOM 0 HG22 THR A 71 19.805 4.083 -17.669 1.00 0.00 H new ATOM 0 HG23 THR A 71 19.819 2.392 -17.114 1.00 0.00 H new ATOM 988 N LYS A 72 15.334 4.322 -18.344 1.00 0.00 N ATOM 989 CA LYS A 72 13.980 4.410 -18.875 1.00 0.00 C ATOM 990 C LYS A 72 13.805 3.484 -20.075 1.00 0.00 C ATOM 991 O LYS A 72 14.493 3.606 -21.089 1.00 0.00 O ATOM 992 CB LYS A 72 13.660 5.851 -19.279 1.00 0.00 C ATOM 993 CG LYS A 72 12.214 6.059 -19.696 1.00 0.00 C ATOM 994 CD LYS A 72 12.011 7.419 -20.343 1.00 0.00 C ATOM 995 CE LYS A 72 10.537 7.705 -20.587 1.00 0.00 C ATOM 996 NZ LYS A 72 10.332 8.584 -21.772 1.00 0.00 N ATOM 0 H LYS A 72 15.895 5.163 -18.480 1.00 0.00 H new ATOM 0 HA LYS A 72 13.289 4.097 -18.092 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.887 6.513 -18.443 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.312 6.142 -20.102 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.919 5.275 -20.394 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.566 5.969 -18.824 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.432 8.194 -19.703 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.552 7.458 -21.289 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.004 6.766 -20.735 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.108 8.179 -19.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.315 8.756 -21.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.819 9.490 -21.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.719 8.121 -22.619 1.00 0.00 H new ATOM 1010 N PRO A 73 12.863 2.537 -19.961 1.00 0.00 N ATOM 1011 CA PRO A 73 12.575 1.573 -21.028 1.00 0.00 C ATOM 1012 C PRO A 73 11.911 2.227 -22.235 1.00 0.00 C ATOM 1013 O PRO A 73 12.014 1.730 -23.356 1.00 0.00 O ATOM 1014 CB PRO A 73 11.618 0.582 -20.362 1.00 0.00 C ATOM 1015 CG PRO A 73 10.969 1.358 -19.268 1.00 0.00 C ATOM 1016 CD PRO A 73 12.005 2.333 -18.781 1.00 0.00 C ATOM 0 HA PRO A 73 13.483 1.112 -21.418 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.881 0.206 -21.071 1.00 0.00 H new ATOM 0 HB3 PRO A 73 12.153 -0.283 -19.970 1.00 0.00 H new ATOM 0 HG2 PRO A 73 10.083 1.879 -19.631 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.644 0.700 -18.463 1.00 0.00 H new ATOM 0 HD2 PRO A 73 11.553 3.267 -18.447 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.569 1.933 -17.938 1.00 0.00 H new ATOM 1024 N ARG A 74 11.229 3.343 -21.998 1.00 0.00 N ATOM 1025 CA ARG A 74 10.548 4.063 -23.066 1.00 0.00 C ATOM 1026 C ARG A 74 9.990 3.095 -24.105 1.00 0.00 C ATOM 1027 O ARG A 74 10.064 3.348 -25.307 1.00 0.00 O ATOM 1028 CB ARG A 74 11.505 5.051 -23.735 1.00 0.00 C ATOM 1029 CG ARG A 74 12.654 4.382 -24.471 1.00 0.00 C ATOM 1030 CD ARG A 74 13.685 5.399 -24.936 1.00 0.00 C ATOM 1031 NE ARG A 74 14.929 4.762 -25.361 1.00 0.00 N ATOM 1032 CZ ARG A 74 15.817 5.345 -26.158 1.00 0.00 C ATOM 1033 NH1 ARG A 74 15.601 6.571 -26.614 1.00 0.00 N ATOM 1034 NH2 ARG A 74 16.926 4.701 -26.501 1.00 0.00 N ATOM 0 H ARG A 74 11.134 3.768 -21.076 1.00 0.00 H new ATOM 0 HA ARG A 74 9.717 4.614 -22.626 1.00 0.00 H new ATOM 0 HB2 ARG A 74 10.944 5.668 -24.438 1.00 0.00 H new ATOM 0 HB3 ARG A 74 11.911 5.721 -22.977 1.00 0.00 H new ATOM 0 HG2 ARG A 74 13.131 3.652 -23.817 1.00 0.00 H new ATOM 0 HG3 ARG A 74 12.267 3.835 -25.331 1.00 0.00 H new ATOM 0 HD2 ARG A 74 13.274 5.980 -25.762 1.00 0.00 H new ATOM 0 HD3 ARG A 74 13.894 6.099 -24.127 1.00 0.00 H new ATOM 0 HE ARG A 74 15.126 3.818 -25.028 1.00 0.00 H new ATOM 0 HH11 ARG A 74 14.750 7.070 -26.353 1.00 0.00 H new ATOM 0 HH12 ARG A 74 16.285 7.015 -27.226 1.00 0.00 H new ATOM 0 HH21 ARG A 74 17.097 3.758 -26.152 1.00 0.00 H new ATOM 0 HH22 ARG A 74 17.608 5.149 -27.113 1.00 0.00 H new ATOM 1048 N GLY A 75 9.433 1.984 -23.633 1.00 0.00 N ATOM 1049 CA GLY A 75 8.872 0.995 -24.534 1.00 0.00 C ATOM 1050 C GLY A 75 7.565 0.420 -24.024 1.00 0.00 C ATOM 1051 O GLY A 75 6.503 1.017 -24.203 1.00 0.00 O ATOM 0 H GLY A 75 9.360 1.751 -22.643 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.708 1.450 -25.511 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.590 0.187 -24.674 1.00 0.00 H new ATOM 1055 N LYS A 76 7.640 -0.743 -23.387 1.00 0.00 N ATOM 1056 CA LYS A 76 6.455 -1.400 -22.849 1.00 0.00 C ATOM 1057 C LYS A 76 6.684 -1.840 -21.406 1.00 0.00 C ATOM 1058 O LYS A 76 6.890 -3.023 -21.134 1.00 0.00 O ATOM 1059 CB LYS A 76 6.082 -2.609 -23.709 1.00 0.00 C ATOM 1060 CG LYS A 76 5.365 -2.242 -24.997 1.00 0.00 C ATOM 1061 CD LYS A 76 3.861 -2.157 -24.793 1.00 0.00 C ATOM 1062 CE LYS A 76 3.238 -3.538 -24.662 1.00 0.00 C ATOM 1063 NZ LYS A 76 1.753 -3.487 -24.751 1.00 0.00 N ATOM 0 H LYS A 76 8.511 -1.251 -23.230 1.00 0.00 H new ATOM 0 HA LYS A 76 5.634 -0.683 -22.866 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.988 -3.164 -23.953 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.446 -3.276 -23.127 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.738 -1.285 -25.362 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.588 -2.985 -25.763 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.647 -1.573 -23.898 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.408 -1.630 -25.633 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.627 -4.188 -25.446 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.530 -3.979 -23.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.366 -4.448 -24.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.380 -2.888 -23.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.474 -3.090 -25.671 1.00 0.00 H new ATOM 1077 N TRP A 77 6.646 -0.882 -20.487 1.00 0.00 N ATOM 1078 CA TRP A 77 6.848 -1.172 -19.072 1.00 0.00 C ATOM 1079 C TRP A 77 5.540 -1.051 -18.299 1.00 0.00 C ATOM 1080 O TRP A 77 4.942 0.024 -18.236 1.00 0.00 O ATOM 1081 CB TRP A 77 7.894 -0.226 -18.481 1.00 0.00 C ATOM 1082 CG TRP A 77 8.288 -0.578 -17.078 1.00 0.00 C ATOM 1083 CD1 TRP A 77 9.345 -1.353 -16.694 1.00 0.00 C ATOM 1084 CD2 TRP A 77 7.629 -0.170 -15.875 1.00 0.00 C ATOM 1085 NE1 TRP A 77 9.383 -1.451 -15.324 1.00 0.00 N ATOM 1086 CE2 TRP A 77 8.342 -0.733 -14.798 1.00 0.00 C ATOM 1087 CE3 TRP A 77 6.509 0.619 -15.602 1.00 0.00 C ATOM 1088 CZ2 TRP A 77 7.967 -0.533 -13.472 1.00 0.00 C ATOM 1089 CZ3 TRP A 77 6.138 0.816 -14.285 1.00 0.00 C ATOM 1090 CH2 TRP A 77 6.866 0.243 -13.234 1.00 0.00 C ATOM 0 H TRP A 77 6.477 0.102 -20.696 1.00 0.00 H new ATOM 0 HA TRP A 77 7.206 -2.198 -18.984 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.782 -0.237 -19.114 1.00 0.00 H new ATOM 0 HB3 TRP A 77 7.503 0.791 -18.497 1.00 0.00 H new ATOM 0 HD1 TRP A 77 10.048 -1.820 -17.368 1.00 0.00 H new ATOM 0 HE1 TRP A 77 10.074 -1.974 -14.786 1.00 0.00 H new ATOM 0 HE3 TRP A 77 5.943 1.067 -16.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.526 -0.975 -12.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 5.272 1.422 -14.062 1.00 0.00 H new ATOM 0 HH2 TRP A 77 6.552 0.417 -12.216 1.00 0.00 H new ATOM 1101 N PHE A 78 5.099 -2.159 -17.712 1.00 0.00 N ATOM 1102 CA PHE A 78 3.860 -2.175 -16.944 1.00 0.00 C ATOM 1103 C PHE A 78 4.149 -2.236 -15.447 1.00 0.00 C ATOM 1104 O PHE A 78 4.852 -3.130 -14.974 1.00 0.00 O ATOM 1105 CB PHE A 78 2.995 -3.368 -17.356 1.00 0.00 C ATOM 1106 CG PHE A 78 2.110 -3.087 -18.537 1.00 0.00 C ATOM 1107 CD1 PHE A 78 2.638 -3.032 -19.817 1.00 0.00 C ATOM 1108 CD2 PHE A 78 0.751 -2.877 -18.368 1.00 0.00 C ATOM 1109 CE1 PHE A 78 1.827 -2.775 -20.906 1.00 0.00 C ATOM 1110 CE2 PHE A 78 -0.065 -2.619 -19.453 1.00 0.00 C ATOM 1111 CZ PHE A 78 0.474 -2.567 -20.724 1.00 0.00 C ATOM 0 H PHE A 78 5.581 -3.057 -17.754 1.00 0.00 H new ATOM 0 HA PHE A 78 3.319 -1.252 -17.155 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.643 -4.213 -17.590 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.375 -3.667 -16.510 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.696 -3.192 -19.965 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.324 -2.915 -17.377 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.251 -2.737 -21.899 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.123 -2.458 -19.308 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.161 -2.364 -21.573 1.00 0.00 H new ATOM 1121 N CYS A 79 3.603 -1.279 -14.705 1.00 0.00 N ATOM 1122 CA CYS A 79 3.802 -1.221 -13.262 1.00 0.00 C ATOM 1123 C CYS A 79 3.599 -2.595 -12.630 1.00 0.00 C ATOM 1124 O CYS A 79 2.888 -3.450 -13.157 1.00 0.00 O ATOM 1125 CB CYS A 79 2.839 -0.211 -12.633 1.00 0.00 C ATOM 1126 SG CYS A 79 1.135 -0.826 -12.445 1.00 0.00 S ATOM 0 H CYS A 79 3.018 -0.532 -15.080 1.00 0.00 H new ATOM 0 HA CYS A 79 4.827 -0.901 -13.074 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.220 0.077 -11.653 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.823 0.690 -13.246 1.00 0.00 H new ATOM 1131 N PRO A 80 4.239 -2.813 -11.471 1.00 0.00 N ATOM 1132 CA PRO A 80 4.144 -4.080 -10.741 1.00 0.00 C ATOM 1133 C PRO A 80 2.763 -4.297 -10.132 1.00 0.00 C ATOM 1134 O PRO A 80 2.542 -5.259 -9.396 1.00 0.00 O ATOM 1135 CB PRO A 80 5.197 -3.935 -9.639 1.00 0.00 C ATOM 1136 CG PRO A 80 5.332 -2.465 -9.436 1.00 0.00 C ATOM 1137 CD PRO A 80 5.103 -1.838 -10.784 1.00 0.00 C ATOM 0 HA PRO A 80 4.305 -4.938 -11.393 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.882 -4.434 -8.722 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.145 -4.382 -9.936 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.605 -2.103 -8.709 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.320 -2.213 -9.051 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.621 -0.864 -10.698 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.040 -1.683 -11.320 1.00 0.00 H new ATOM 1145 N ARG A 81 1.836 -3.397 -10.444 1.00 0.00 N ATOM 1146 CA ARG A 81 0.476 -3.490 -9.927 1.00 0.00 C ATOM 1147 C ARG A 81 -0.495 -3.917 -11.024 1.00 0.00 C ATOM 1148 O ARG A 81 -1.579 -4.430 -10.744 1.00 0.00 O ATOM 1149 CB ARG A 81 0.039 -2.147 -9.338 1.00 0.00 C ATOM 1150 CG ARG A 81 0.333 -2.008 -7.854 1.00 0.00 C ATOM 1151 CD ARG A 81 -0.676 -1.099 -7.169 1.00 0.00 C ATOM 1152 NE ARG A 81 -2.011 -1.689 -7.136 1.00 0.00 N ATOM 1153 CZ ARG A 81 -2.394 -2.593 -6.242 1.00 0.00 C ATOM 1154 NH1 ARG A 81 -1.546 -3.009 -5.310 1.00 0.00 N ATOM 1155 NH2 ARG A 81 -3.626 -3.083 -6.277 1.00 0.00 N ATOM 0 H ARG A 81 2.002 -2.595 -11.052 1.00 0.00 H new ATOM 0 HA ARG A 81 0.464 -4.245 -9.141 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.542 -1.343 -9.876 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.031 -2.019 -9.501 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.316 -2.992 -7.385 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.337 -1.607 -7.717 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.346 -0.893 -6.151 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.715 -0.143 -7.691 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.687 -1.390 -7.839 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.598 -2.634 -5.279 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.842 -3.703 -4.624 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.281 -2.765 -6.992 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.918 -3.777 -5.589 1.00 0.00 H new ATOM 1169 N CYS A 82 -0.099 -3.701 -12.274 1.00 0.00 N ATOM 1170 CA CYS A 82 -0.934 -4.061 -13.414 1.00 0.00 C ATOM 1171 C CYS A 82 -0.525 -5.418 -13.979 1.00 0.00 C ATOM 1172 O CYS A 82 -1.367 -6.285 -14.211 1.00 0.00 O ATOM 1173 CB CYS A 82 -0.835 -2.992 -14.504 1.00 0.00 C ATOM 1174 SG CYS A 82 -1.575 -1.392 -14.044 1.00 0.00 S ATOM 0 H CYS A 82 0.795 -3.278 -12.523 1.00 0.00 H new ATOM 0 HA CYS A 82 -1.967 -4.125 -13.071 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.215 -2.837 -14.752 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -1.324 -3.361 -15.406 1.00 0.00 H new ATOM 1179 N SER A 83 0.775 -5.595 -14.198 1.00 0.00 N ATOM 1180 CA SER A 83 1.296 -6.845 -14.739 1.00 0.00 C ATOM 1181 C SER A 83 0.496 -8.036 -14.221 1.00 0.00 C ATOM 1182 O SER A 83 0.161 -8.948 -14.977 1.00 0.00 O ATOM 1183 CB SER A 83 2.772 -7.008 -14.372 1.00 0.00 C ATOM 1184 OG SER A 83 3.423 -7.898 -15.262 1.00 0.00 O ATOM 0 H SER A 83 1.486 -4.889 -14.009 1.00 0.00 H new ATOM 0 HA SER A 83 1.201 -6.811 -15.824 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.266 -6.037 -14.398 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.857 -7.382 -13.352 1.00 0.00 H new ATOM 0 HG SER A 83 4.365 -7.984 -15.007 1.00 0.00 H new ATOM 1190 N GLN A 84 0.195 -8.021 -12.926 1.00 0.00 N ATOM 1191 CA GLN A 84 -0.564 -9.100 -12.306 1.00 0.00 C ATOM 1192 C GLN A 84 -2.061 -8.816 -12.365 1.00 0.00 C ATOM 1193 O GLN A 84 -2.690 -8.540 -11.344 1.00 0.00 O ATOM 1194 CB GLN A 84 -0.125 -9.291 -10.853 1.00 0.00 C ATOM 1195 CG GLN A 84 -0.689 -10.547 -10.208 1.00 0.00 C ATOM 1196 CD GLN A 84 0.180 -11.766 -10.446 1.00 0.00 C ATOM 1197 OE1 GLN A 84 0.940 -12.182 -9.571 1.00 0.00 O ATOM 1198 NE2 GLN A 84 0.072 -12.347 -11.636 1.00 0.00 N ATOM 0 H GLN A 84 0.465 -7.274 -12.287 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.365 -10.017 -12.861 1.00 0.00 H new ATOM 0 HB2 GLN A 84 0.964 -9.329 -10.813 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.435 -8.423 -10.271 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -0.794 -10.384 -9.135 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.688 -10.735 -10.601 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.571 -11.969 -12.332 1.00 0.00 H new ATOM 0 HE22 GLN A 84 0.632 -13.171 -11.854 1.00 0.00 H new ATOM 1207 N GLU A 85 -2.625 -8.887 -13.566 1.00 0.00 N ATOM 1208 CA GLU A 85 -4.049 -8.635 -13.757 1.00 0.00 C ATOM 1209 C GLU A 85 -4.826 -9.946 -13.844 1.00 0.00 C ATOM 1210 O GLU A 85 -4.726 -10.674 -14.832 1.00 0.00 O ATOM 1211 CB GLU A 85 -4.279 -7.808 -15.024 1.00 0.00 C ATOM 1212 CG GLU A 85 -5.721 -7.814 -15.501 1.00 0.00 C ATOM 1213 CD GLU A 85 -6.601 -6.866 -14.710 1.00 0.00 C ATOM 1214 OE1 GLU A 85 -6.514 -5.642 -14.945 1.00 0.00 O ATOM 1215 OE2 GLU A 85 -7.376 -7.346 -13.857 1.00 0.00 O ATOM 0 H GLU A 85 -2.119 -9.117 -14.421 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.411 -8.074 -12.896 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.971 -6.779 -14.837 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.640 -8.192 -15.819 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.752 -7.538 -16.555 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.121 -8.825 -15.424 1.00 0.00 H new ATOM 1222 N SER A 86 -5.599 -10.240 -12.803 1.00 0.00 N ATOM 1223 CA SER A 86 -6.389 -11.464 -12.760 1.00 0.00 C ATOM 1224 C SER A 86 -7.064 -11.724 -14.103 1.00 0.00 C ATOM 1225 O SER A 86 -7.318 -10.797 -14.872 1.00 0.00 O ATOM 1226 CB SER A 86 -7.444 -11.376 -11.655 1.00 0.00 C ATOM 1227 OG SER A 86 -6.868 -11.601 -10.380 1.00 0.00 O ATOM 0 H SER A 86 -5.695 -9.647 -11.979 1.00 0.00 H new ATOM 0 HA SER A 86 -5.716 -12.294 -12.546 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.916 -10.394 -11.676 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.228 -12.110 -11.838 1.00 0.00 H new ATOM 0 HG SER A 86 -7.563 -11.538 -9.691 1.00 0.00 H new ATOM 1233 N GLY A 87 -7.351 -12.992 -14.379 1.00 0.00 N ATOM 1234 CA GLY A 87 -7.993 -13.352 -15.630 1.00 0.00 C ATOM 1235 C GLY A 87 -7.202 -14.382 -16.412 1.00 0.00 C ATOM 1236 O GLY A 87 -6.254 -14.984 -15.906 1.00 0.00 O ATOM 0 H GLY A 87 -7.151 -13.777 -13.759 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.989 -13.743 -15.424 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.121 -12.458 -16.240 1.00 0.00 H new ATOM 1240 N PRO A 88 -7.592 -14.597 -17.677 1.00 0.00 N ATOM 1241 CA PRO A 88 -6.926 -15.562 -18.558 1.00 0.00 C ATOM 1242 C PRO A 88 -5.528 -15.108 -18.963 1.00 0.00 C ATOM 1243 O PRO A 88 -5.366 -14.325 -19.898 1.00 0.00 O ATOM 1244 CB PRO A 88 -7.846 -15.619 -19.780 1.00 0.00 C ATOM 1245 CG PRO A 88 -8.547 -14.305 -19.789 1.00 0.00 C ATOM 1246 CD PRO A 88 -8.713 -13.915 -18.346 1.00 0.00 C ATOM 0 HA PRO A 88 -6.781 -16.527 -18.072 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.277 -15.770 -20.697 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -8.554 -16.445 -19.704 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -7.968 -13.557 -20.331 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.514 -14.382 -20.286 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.663 -12.834 -18.213 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -9.675 -14.240 -17.950 1.00 0.00 H new ATOM 1254 N SER A 89 -4.521 -15.606 -18.254 1.00 0.00 N ATOM 1255 CA SER A 89 -3.136 -15.249 -18.538 1.00 0.00 C ATOM 1256 C SER A 89 -2.413 -16.393 -19.242 1.00 0.00 C ATOM 1257 O SER A 89 -2.756 -17.562 -19.063 1.00 0.00 O ATOM 1258 CB SER A 89 -2.404 -14.888 -17.244 1.00 0.00 C ATOM 1259 OG SER A 89 -1.259 -14.096 -17.509 1.00 0.00 O ATOM 0 H SER A 89 -4.638 -16.258 -17.478 1.00 0.00 H new ATOM 0 HA SER A 89 -3.139 -14.383 -19.199 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.078 -14.347 -16.580 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.107 -15.799 -16.724 1.00 0.00 H new ATOM 0 HG SER A 89 -0.810 -13.877 -16.666 1.00 0.00 H new ATOM 1265 N SER A 90 -1.411 -16.048 -20.044 1.00 0.00 N ATOM 1266 CA SER A 90 -0.641 -17.045 -20.779 1.00 0.00 C ATOM 1267 C SER A 90 0.611 -17.444 -20.004 1.00 0.00 C ATOM 1268 O SER A 90 1.594 -16.706 -19.967 1.00 0.00 O ATOM 1269 CB SER A 90 -0.251 -16.505 -22.156 1.00 0.00 C ATOM 1270 OG SER A 90 0.679 -17.362 -22.795 1.00 0.00 O ATOM 0 H SER A 90 -1.113 -15.085 -20.202 1.00 0.00 H new ATOM 0 HA SER A 90 -1.266 -17.929 -20.906 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.142 -16.403 -22.776 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.180 -15.509 -22.051 1.00 0.00 H new ATOM 0 HG SER A 90 0.911 -16.996 -23.674 1.00 0.00 H new ATOM 1276 N GLY A 91 0.566 -18.620 -19.384 1.00 0.00 N ATOM 1277 CA GLY A 91 1.702 -19.098 -18.618 1.00 0.00 C ATOM 1278 C GLY A 91 1.287 -19.760 -17.318 1.00 0.00 C ATOM 1279 O GLY A 91 0.384 -20.595 -17.333 1.00 0.00 O ATOM 0 H GLY A 91 -0.237 -19.249 -19.399 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.269 -19.809 -19.219 1.00 0.00 H new ATOM 0 HA3 GLY A 91 2.367 -18.262 -18.401 1.00 0.00 H new TER 1283 GLY A 91 HETATM 1284 ZN ZN A 201 9.006 6.685 -6.149 1.00 0.00 ZN HETATM 1285 ZN ZN A 401 -0.012 0.340 -14.107 1.00 0.00 ZN