USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 923 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 34 GLN :FLIP amide:sc= -4.97! C(o=-6.8!,f=-3.7!) USER MOD Set 1.2: A 35 THR OG1 : rot -21:sc= 1.24 USER MOD Single : A 1 MET CE :methyl 140:sc= -0.159 (180deg=-1.01) USER MOD Single : A 1 MET N :NH3+ 163:sc= -0.441 (180deg=-0.986) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 2:sc= -0.0026 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0797 X(o=-0.08,f=-0.38) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN :FLIP amide:sc= 0.0516 F(o=-1,f=0.052) USER MOD Single : A 33 GLN : amide:sc= -0.026 K(o=-0.026,f=-1.7!) USER MOD Single : A 36 GLN : amide:sc= -1.35! X(o=-1.4!,f=-1.1) USER MOD Single : A 38 GLN : amide:sc= -3.88! C(o=-3.9!,f=-5.8!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 52 LYS NZ :NH3+ -162:sc= -0.0157 (180deg=-0.272) USER MOD Single : A 58 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 75 SER OG : rot -130:sc= -0.418 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.0111 USER MOD Single : A 83 LYS NZ :NH3+ 163:sc= -0.0613 (180deg=-0.474) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0748) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -176:sc= -1.46 (180deg=-1.49) USER MOD Single : A 92 ASN :FLIP amide:sc= -1.56 F(o=-3.2!,f=-1.6) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 CYS SG : rot 79:sc= 0.349 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -38:sc= 0.0275 USER MOD Single : A 116 THR OG1 : rot -72:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -65.844 19.517 -39.561 1.00 0.00 N ATOM 2 CA MET A 1 -64.631 19.909 -38.789 1.00 0.00 C ATOM 3 C MET A 1 -63.427 19.131 -39.310 1.00 0.00 C ATOM 4 O MET A 1 -62.350 19.164 -38.715 1.00 0.00 O ATOM 5 CB MET A 1 -64.850 19.596 -37.307 1.00 0.00 C ATOM 6 CG MET A 1 -65.490 18.215 -37.165 1.00 0.00 C ATOM 7 SD MET A 1 -65.547 17.756 -35.414 1.00 0.00 S ATOM 8 CE MET A 1 -66.721 19.025 -34.876 1.00 0.00 C ATOM 0 H1 MET A 1 -66.696 19.810 -39.042 1.00 0.00 H new ATOM 0 H2 MET A 1 -65.829 19.982 -40.491 1.00 0.00 H new ATOM 0 H3 MET A 1 -65.855 18.485 -39.689 1.00 0.00 H new ATOM 0 HA MET A 1 -64.448 20.977 -38.908 1.00 0.00 H new ATOM 0 HB2 MET A 1 -63.899 19.624 -36.774 1.00 0.00 H new ATOM 0 HB3 MET A 1 -65.491 20.353 -36.856 1.00 0.00 H new ATOM 0 HG2 MET A 1 -66.497 18.224 -37.583 1.00 0.00 H new ATOM 0 HG3 MET A 1 -64.918 17.477 -37.727 1.00 0.00 H new ATOM 0 HE1 MET A 1 -67.417 18.595 -34.155 1.00 0.00 H new ATOM 0 HE2 MET A 1 -66.179 19.848 -34.411 1.00 0.00 H new ATOM 0 HE3 MET A 1 -67.275 19.397 -35.738 1.00 0.00 H new ATOM 18 N SER A 2 -63.618 18.431 -40.423 1.00 0.00 N ATOM 19 CA SER A 2 -62.538 17.647 -41.014 1.00 0.00 C ATOM 20 C SER A 2 -61.873 16.770 -39.957 1.00 0.00 C ATOM 21 O SER A 2 -60.749 16.302 -40.144 1.00 0.00 O ATOM 22 CB SER A 2 -61.498 18.581 -41.639 1.00 0.00 C ATOM 23 OG SER A 2 -62.162 19.657 -42.287 1.00 0.00 O ATOM 0 H SER A 2 -64.502 18.390 -40.931 1.00 0.00 H new ATOM 0 HA SER A 2 -62.959 17.005 -41.788 1.00 0.00 H new ATOM 0 HB2 SER A 2 -60.827 18.963 -40.870 1.00 0.00 H new ATOM 0 HB3 SER A 2 -60.884 18.034 -42.354 1.00 0.00 H new ATOM 0 HG SER A 2 -61.499 20.258 -42.687 1.00 0.00 H new ATOM 29 N ALA A 3 -62.573 16.551 -38.851 1.00 0.00 N ATOM 30 CA ALA A 3 -62.039 15.727 -37.772 1.00 0.00 C ATOM 31 C ALA A 3 -61.849 14.289 -38.242 1.00 0.00 C ATOM 32 O ALA A 3 -60.877 13.630 -37.873 1.00 0.00 O ATOM 33 CB ALA A 3 -62.990 15.754 -36.574 1.00 0.00 C ATOM 0 H ALA A 3 -63.504 16.929 -38.677 1.00 0.00 H new ATOM 0 HA ALA A 3 -61.071 16.131 -37.475 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -62.584 15.136 -35.773 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -63.101 16.779 -36.221 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -63.964 15.366 -36.873 1.00 0.00 H new ATOM 39 N THR A 4 -62.784 13.809 -39.056 1.00 0.00 N ATOM 40 CA THR A 4 -62.710 12.446 -39.570 1.00 0.00 C ATOM 41 C THR A 4 -62.509 11.457 -38.426 1.00 0.00 C ATOM 42 O THR A 4 -62.315 11.851 -37.277 1.00 0.00 O ATOM 43 CB THR A 4 -61.553 12.322 -40.562 1.00 0.00 C ATOM 44 OG1 THR A 4 -60.321 12.496 -39.878 1.00 0.00 O ATOM 45 CG2 THR A 4 -61.691 13.391 -41.647 1.00 0.00 C ATOM 0 H THR A 4 -63.596 14.339 -39.372 1.00 0.00 H new ATOM 0 HA THR A 4 -63.647 12.217 -40.077 1.00 0.00 H new ATOM 0 HB THR A 4 -61.576 11.334 -41.023 1.00 0.00 H new ATOM 0 HG1 THR A 4 -60.493 12.629 -38.923 1.00 0.00 H new ATOM 0 HG21 THR A 4 -60.866 13.301 -42.353 1.00 0.00 H new ATOM 0 HG22 THR A 4 -62.636 13.255 -42.174 1.00 0.00 H new ATOM 0 HG23 THR A 4 -61.670 14.380 -41.188 1.00 0.00 H new ATOM 53 N ALA A 5 -62.559 10.167 -38.750 1.00 0.00 N ATOM 54 CA ALA A 5 -62.382 9.123 -37.742 1.00 0.00 C ATOM 55 C ALA A 5 -61.757 7.880 -38.365 1.00 0.00 C ATOM 56 O ALA A 5 -61.059 7.120 -37.692 1.00 0.00 O ATOM 57 CB ALA A 5 -63.733 8.761 -37.125 1.00 0.00 C ATOM 0 H ALA A 5 -62.719 9.820 -39.696 1.00 0.00 H new ATOM 0 HA ALA A 5 -61.717 9.501 -36.965 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -63.594 7.983 -36.375 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -64.167 9.644 -36.655 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -64.403 8.398 -37.904 1.00 0.00 H new ATOM 63 N ALA A 6 -62.013 7.675 -39.652 1.00 0.00 N ATOM 64 CA ALA A 6 -61.472 6.516 -40.352 1.00 0.00 C ATOM 65 C ALA A 6 -59.948 6.540 -40.330 1.00 0.00 C ATOM 66 O ALA A 6 -59.303 5.506 -40.146 1.00 0.00 O ATOM 67 CB ALA A 6 -61.959 6.506 -41.802 1.00 0.00 C ATOM 0 H ALA A 6 -62.587 8.291 -40.228 1.00 0.00 H new ATOM 0 HA ALA A 6 -61.819 5.616 -39.845 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -61.550 5.637 -42.317 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -63.048 6.459 -41.820 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -61.627 7.415 -42.304 1.00 0.00 H new ATOM 73 N THR A 7 -59.372 7.728 -40.518 1.00 0.00 N ATOM 74 CA THR A 7 -57.915 7.885 -40.520 1.00 0.00 C ATOM 75 C THR A 7 -57.493 8.938 -39.507 1.00 0.00 C ATOM 76 O THR A 7 -58.007 10.055 -39.505 1.00 0.00 O ATOM 77 CB THR A 7 -57.436 8.292 -41.912 1.00 0.00 C ATOM 78 OG1 THR A 7 -57.784 7.276 -42.843 1.00 0.00 O ATOM 79 CG2 THR A 7 -55.918 8.471 -41.892 1.00 0.00 C ATOM 0 H THR A 7 -59.889 8.594 -40.671 1.00 0.00 H new ATOM 0 HA THR A 7 -57.464 6.931 -40.247 1.00 0.00 H new ATOM 0 HB THR A 7 -57.908 9.230 -42.204 1.00 0.00 H new ATOM 0 HG1 THR A 7 -57.480 7.534 -43.738 1.00 0.00 H new ATOM 0 HG21 THR A 7 -55.573 8.762 -42.884 1.00 0.00 H new ATOM 0 HG22 THR A 7 -55.653 9.247 -41.174 1.00 0.00 H new ATOM 0 HG23 THR A 7 -55.445 7.532 -41.604 1.00 0.00 H new ATOM 87 N VAL A 8 -56.553 8.571 -38.643 1.00 0.00 N ATOM 88 CA VAL A 8 -56.079 9.497 -37.622 1.00 0.00 C ATOM 89 C VAL A 8 -55.151 10.546 -38.235 1.00 0.00 C ATOM 90 O VAL A 8 -54.451 10.268 -39.209 1.00 0.00 O ATOM 91 CB VAL A 8 -55.332 8.730 -36.527 1.00 0.00 C ATOM 92 CG1 VAL A 8 -56.339 8.016 -35.622 1.00 0.00 C ATOM 93 CG2 VAL A 8 -54.403 7.699 -37.171 1.00 0.00 C ATOM 0 H VAL A 8 -56.110 7.652 -38.628 1.00 0.00 H new ATOM 0 HA VAL A 8 -56.942 10.002 -37.189 1.00 0.00 H new ATOM 0 HB VAL A 8 -54.744 9.429 -35.932 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -55.806 7.471 -34.843 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -57.000 8.751 -35.163 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -56.929 7.317 -36.215 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -53.871 7.152 -36.393 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -54.991 7.001 -37.767 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -53.684 8.208 -37.813 1.00 0.00 H new ATOM 103 N PRO A 9 -55.130 11.737 -37.687 1.00 0.00 N ATOM 104 CA PRO A 9 -54.261 12.838 -38.196 1.00 0.00 C ATOM 105 C PRO A 9 -52.773 12.567 -37.945 1.00 0.00 C ATOM 106 O PRO A 9 -52.416 11.744 -37.102 1.00 0.00 O ATOM 107 CB PRO A 9 -54.743 14.073 -37.412 1.00 0.00 C ATOM 108 CG PRO A 9 -55.344 13.527 -36.156 1.00 0.00 C ATOM 109 CD PRO A 9 -55.931 12.165 -36.526 1.00 0.00 C ATOM 0 HA PRO A 9 -54.341 12.958 -39.276 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -53.916 14.748 -37.192 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -55.475 14.642 -37.984 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -54.591 13.428 -35.374 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -56.116 14.193 -35.772 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -55.849 11.457 -35.701 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -56.989 12.241 -36.777 1.00 0.00 H new ATOM 117 N PRO A 10 -51.912 13.255 -38.649 1.00 0.00 N ATOM 118 CA PRO A 10 -50.433 13.103 -38.496 1.00 0.00 C ATOM 119 C PRO A 10 -49.942 13.631 -37.148 1.00 0.00 C ATOM 120 O PRO A 10 -50.552 14.523 -36.558 1.00 0.00 O ATOM 121 CB PRO A 10 -49.861 13.925 -39.665 1.00 0.00 C ATOM 122 CG PRO A 10 -50.917 14.934 -39.983 1.00 0.00 C ATOM 123 CD PRO A 10 -52.253 14.257 -39.677 1.00 0.00 C ATOM 0 HA PRO A 10 -50.117 12.060 -38.517 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -48.925 14.408 -39.386 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -49.649 13.291 -40.526 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -50.789 15.835 -39.382 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -50.864 15.238 -41.028 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -52.989 14.972 -39.310 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -52.678 13.790 -40.566 1.00 0.00 H new ATOM 131 N ALA A 11 -48.836 13.071 -36.672 1.00 0.00 N ATOM 132 CA ALA A 11 -48.268 13.491 -35.399 1.00 0.00 C ATOM 133 C ALA A 11 -47.741 14.919 -35.499 1.00 0.00 C ATOM 134 O ALA A 11 -47.204 15.321 -36.531 1.00 0.00 O ATOM 135 CB ALA A 11 -47.127 12.551 -35.001 1.00 0.00 C ATOM 0 H ALA A 11 -48.319 12.330 -37.145 1.00 0.00 H new ATOM 0 HA ALA A 11 -49.050 13.453 -34.640 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -46.707 12.872 -34.048 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -47.509 11.535 -34.906 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -46.351 12.576 -35.766 1.00 0.00 H new ATOM 141 N ALA A 12 -47.902 15.678 -34.422 1.00 0.00 N ATOM 142 CA ALA A 12 -47.440 17.061 -34.400 1.00 0.00 C ATOM 143 C ALA A 12 -47.374 17.578 -32.965 1.00 0.00 C ATOM 144 O ALA A 12 -48.197 18.394 -32.551 1.00 0.00 O ATOM 145 CB ALA A 12 -48.381 17.944 -35.218 1.00 0.00 C ATOM 0 H ALA A 12 -48.345 15.363 -33.559 1.00 0.00 H new ATOM 0 HA ALA A 12 -46.442 17.097 -34.837 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -48.026 18.974 -35.194 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -48.405 17.592 -36.249 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -49.384 17.896 -34.795 1.00 0.00 H new ATOM 151 N PRO A 13 -46.413 17.116 -32.210 1.00 0.00 N ATOM 152 CA PRO A 13 -46.228 17.536 -30.787 1.00 0.00 C ATOM 153 C PRO A 13 -45.998 19.042 -30.658 1.00 0.00 C ATOM 154 O PRO A 13 -45.376 19.662 -31.519 1.00 0.00 O ATOM 155 CB PRO A 13 -44.989 16.739 -30.326 1.00 0.00 C ATOM 156 CG PRO A 13 -44.862 15.608 -31.299 1.00 0.00 C ATOM 157 CD PRO A 13 -45.399 16.137 -32.625 1.00 0.00 C ATOM 0 HA PRO A 13 -47.112 17.336 -30.181 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -44.096 17.364 -30.330 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -45.115 16.370 -29.308 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -43.824 15.291 -31.396 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -45.430 14.740 -30.966 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -44.613 16.600 -33.222 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -45.832 15.341 -33.230 1.00 0.00 H new ATOM 165 N ALA A 14 -46.504 19.618 -29.574 1.00 0.00 N ATOM 166 CA ALA A 14 -46.347 21.047 -29.340 1.00 0.00 C ATOM 167 C ALA A 14 -44.872 21.399 -29.176 1.00 0.00 C ATOM 168 O ALA A 14 -44.421 22.451 -29.630 1.00 0.00 O ATOM 169 CB ALA A 14 -47.113 21.459 -28.082 1.00 0.00 C ATOM 0 H ALA A 14 -47.022 19.122 -28.849 1.00 0.00 H new ATOM 0 HA ALA A 14 -46.747 21.584 -30.200 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -46.990 22.529 -27.915 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -48.171 21.231 -28.209 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -46.725 20.911 -27.224 1.00 0.00 H new ATOM 175 N GLY A 15 -44.122 20.514 -28.526 1.00 0.00 N ATOM 176 CA GLY A 15 -42.699 20.745 -28.311 1.00 0.00 C ATOM 177 C GLY A 15 -42.475 21.779 -27.214 1.00 0.00 C ATOM 178 O GLY A 15 -42.320 21.432 -26.043 1.00 0.00 O ATOM 0 H GLY A 15 -44.473 19.637 -28.142 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -42.212 19.809 -28.039 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -42.238 21.087 -29.238 1.00 0.00 H new ATOM 182 N GLU A 16 -42.459 23.050 -27.598 1.00 0.00 N ATOM 183 CA GLU A 16 -42.251 24.129 -26.639 1.00 0.00 C ATOM 184 C GLU A 16 -43.233 24.006 -25.479 1.00 0.00 C ATOM 185 O GLU A 16 -43.974 23.027 -25.381 1.00 0.00 O ATOM 186 CB GLU A 16 -42.441 25.481 -27.328 1.00 0.00 C ATOM 187 CG GLU A 16 -41.378 25.658 -28.417 1.00 0.00 C ATOM 188 CD GLU A 16 -39.991 25.746 -27.789 1.00 0.00 C ATOM 189 OE1 GLU A 16 -39.916 26.042 -26.609 1.00 0.00 O ATOM 190 OE2 GLU A 16 -39.027 25.519 -28.500 1.00 0.00 O ATOM 0 H GLU A 16 -42.587 23.358 -28.562 1.00 0.00 H new ATOM 0 HA GLU A 16 -41.235 24.058 -26.251 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -43.438 25.540 -27.766 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -42.365 26.286 -26.598 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -41.417 24.821 -29.114 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -41.583 26.561 -28.992 1.00 0.00 H new ATOM 197 N GLY A 17 -43.231 25.004 -24.601 1.00 0.00 N ATOM 198 CA GLY A 17 -44.124 24.995 -23.449 1.00 0.00 C ATOM 199 C GLY A 17 -43.741 23.885 -22.478 1.00 0.00 C ATOM 200 O GLY A 17 -42.580 23.760 -22.089 1.00 0.00 O ATOM 0 H GLY A 17 -42.626 25.823 -24.664 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -44.081 25.959 -22.942 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -45.153 24.855 -23.781 1.00 0.00 H new ATOM 204 N GLY A 18 -44.726 23.081 -22.088 1.00 0.00 N ATOM 205 CA GLY A 18 -44.482 21.980 -21.158 1.00 0.00 C ATOM 206 C GLY A 18 -44.720 22.420 -19.719 1.00 0.00 C ATOM 207 O GLY A 18 -45.302 23.477 -19.470 1.00 0.00 O ATOM 0 H GLY A 18 -45.694 23.169 -22.398 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -45.137 21.143 -21.399 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -43.457 21.625 -21.269 1.00 0.00 H new ATOM 211 N PRO A 19 -44.288 21.628 -18.775 1.00 0.00 N ATOM 212 CA PRO A 19 -44.463 21.935 -17.325 1.00 0.00 C ATOM 213 C PRO A 19 -43.951 23.336 -16.966 1.00 0.00 C ATOM 214 O PRO A 19 -43.104 23.893 -17.668 1.00 0.00 O ATOM 215 CB PRO A 19 -43.640 20.843 -16.617 1.00 0.00 C ATOM 216 CG PRO A 19 -43.550 19.715 -17.596 1.00 0.00 C ATOM 217 CD PRO A 19 -43.590 20.350 -18.988 1.00 0.00 C ATOM 0 HA PRO A 19 -45.512 21.937 -17.029 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -42.649 21.210 -16.348 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -44.123 20.524 -15.693 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -42.630 19.149 -17.453 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -44.377 19.018 -17.463 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -42.587 20.504 -19.386 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -44.121 19.718 -19.700 1.00 0.00 H new ATOM 225 N PRO A 20 -44.439 23.899 -15.889 1.00 0.00 N ATOM 226 CA PRO A 20 -44.014 25.253 -15.422 1.00 0.00 C ATOM 227 C PRO A 20 -42.571 25.258 -14.920 1.00 0.00 C ATOM 228 O PRO A 20 -42.045 24.230 -14.495 1.00 0.00 O ATOM 229 CB PRO A 20 -45.006 25.579 -14.292 1.00 0.00 C ATOM 230 CG PRO A 20 -45.469 24.249 -13.791 1.00 0.00 C ATOM 231 CD PRO A 20 -45.453 23.311 -14.997 1.00 0.00 C ATOM 0 HA PRO A 20 -44.030 25.991 -16.224 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -44.527 26.155 -13.500 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -45.841 26.175 -14.659 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -44.813 23.880 -13.002 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -46.470 24.320 -13.366 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -45.190 22.293 -14.708 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -46.430 23.263 -15.479 1.00 0.00 H new ATOM 239 N ALA A 21 -41.941 26.427 -14.976 1.00 0.00 N ATOM 240 CA ALA A 21 -40.559 26.564 -14.528 1.00 0.00 C ATOM 241 C ALA A 21 -40.361 25.856 -13.185 1.00 0.00 C ATOM 242 O ALA A 21 -41.329 25.538 -12.492 1.00 0.00 O ATOM 243 CB ALA A 21 -40.194 28.063 -14.410 1.00 0.00 C ATOM 0 H ALA A 21 -42.362 27.288 -15.325 1.00 0.00 H new ATOM 0 HA ALA A 21 -39.900 26.097 -15.260 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -39.161 28.161 -14.075 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -40.307 28.543 -15.382 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -40.856 28.543 -13.689 1.00 0.00 H new ATOM 249 N PRO A 22 -39.133 25.609 -12.816 1.00 0.00 N ATOM 250 CA PRO A 22 -38.800 24.934 -11.535 1.00 0.00 C ATOM 251 C PRO A 22 -39.670 25.433 -10.374 1.00 0.00 C ATOM 252 O PRO A 22 -40.163 26.563 -10.400 1.00 0.00 O ATOM 253 CB PRO A 22 -37.325 25.291 -11.309 1.00 0.00 C ATOM 254 CG PRO A 22 -36.755 25.519 -12.679 1.00 0.00 C ATOM 255 CD PRO A 22 -37.921 25.944 -13.587 1.00 0.00 C ATOM 0 HA PRO A 22 -38.981 23.860 -11.579 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -37.227 26.182 -10.690 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -36.800 24.486 -10.794 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -35.986 26.291 -12.653 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -36.284 24.612 -13.056 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -37.878 27.009 -13.815 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -37.897 25.413 -14.538 1.00 0.00 H new ATOM 263 N PRO A 23 -39.859 24.621 -9.366 1.00 0.00 N ATOM 264 CA PRO A 23 -40.676 24.992 -8.177 1.00 0.00 C ATOM 265 C PRO A 23 -40.010 26.089 -7.339 1.00 0.00 C ATOM 266 O PRO A 23 -38.806 26.324 -7.448 1.00 0.00 O ATOM 267 CB PRO A 23 -40.789 23.676 -7.384 1.00 0.00 C ATOM 268 CG PRO A 23 -39.606 22.865 -7.806 1.00 0.00 C ATOM 269 CD PRO A 23 -39.317 23.256 -9.255 1.00 0.00 C ATOM 0 HA PRO A 23 -41.645 25.405 -8.457 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -40.778 23.861 -6.310 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -41.722 23.159 -7.609 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -38.746 23.070 -7.168 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -39.816 21.799 -7.725 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -38.249 23.231 -9.470 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -39.800 22.576 -9.957 1.00 0.00 H new ATOM 277 N PRO A 24 -40.773 26.746 -6.504 1.00 0.00 N ATOM 278 CA PRO A 24 -40.254 27.830 -5.616 1.00 0.00 C ATOM 279 C PRO A 24 -39.265 27.290 -4.585 1.00 0.00 C ATOM 280 O PRO A 24 -39.400 26.162 -4.109 1.00 0.00 O ATOM 281 CB PRO A 24 -41.522 28.392 -4.944 1.00 0.00 C ATOM 282 CG PRO A 24 -42.527 27.287 -5.021 1.00 0.00 C ATOM 283 CD PRO A 24 -42.217 26.529 -6.311 1.00 0.00 C ATOM 0 HA PRO A 24 -39.698 28.590 -6.166 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -41.327 28.676 -3.910 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -41.878 29.285 -5.458 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -42.453 26.630 -4.154 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -43.543 27.683 -5.035 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -42.454 25.469 -6.220 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -42.796 26.914 -7.151 1.00 0.00 H new ATOM 291 N ASN A 25 -38.274 28.105 -4.243 1.00 0.00 N ATOM 292 CA ASN A 25 -37.267 27.710 -3.263 1.00 0.00 C ATOM 293 C ASN A 25 -37.679 28.166 -1.875 1.00 0.00 C ATOM 294 O ASN A 25 -37.591 29.350 -1.550 1.00 0.00 O ATOM 295 CB ASN A 25 -35.919 28.337 -3.616 1.00 0.00 C ATOM 296 CG ASN A 25 -34.877 27.944 -2.573 1.00 0.00 C ATOM 297 OD1 ASN A 25 -34.769 28.587 -1.530 1.00 0.00 O ATOM 298 ND2 ASN A 25 -34.104 26.918 -2.793 1.00 0.00 N ATOM 0 H ASN A 25 -38.146 29.041 -4.628 1.00 0.00 H new ATOM 0 HA ASN A 25 -37.179 26.624 -3.276 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -35.601 28.005 -4.604 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -36.012 29.422 -3.659 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -33.407 26.646 -2.099 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -34.196 26.387 -3.659 1.00 0.00 H new ATOM 305 N LEU A 26 -38.128 27.216 -1.054 1.00 0.00 N ATOM 306 CA LEU A 26 -38.551 27.524 0.313 1.00 0.00 C ATOM 307 C LEU A 26 -37.740 26.709 1.312 1.00 0.00 C ATOM 308 O LEU A 26 -37.732 25.479 1.264 1.00 0.00 O ATOM 309 CB LEU A 26 -40.044 27.211 0.489 1.00 0.00 C ATOM 310 CG LEU A 26 -40.476 27.494 1.939 1.00 0.00 C ATOM 311 CD1 LEU A 26 -40.162 28.954 2.315 1.00 0.00 C ATOM 312 CD2 LEU A 26 -41.983 27.241 2.073 1.00 0.00 C ATOM 0 H LEU A 26 -38.208 26.232 -1.310 1.00 0.00 H new ATOM 0 HA LEU A 26 -38.382 28.585 0.496 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -40.634 27.816 -0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -40.236 26.167 0.241 1.00 0.00 H new ATOM 0 HG LEU A 26 -39.928 26.834 2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -40.473 29.140 3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -39.091 29.131 2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -40.700 29.626 1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -42.296 27.440 3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -42.524 27.900 1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -42.201 26.203 1.822 1.00 0.00 H new ATOM 324 N THR A 27 -37.063 27.405 2.225 1.00 0.00 N ATOM 325 CA THR A 27 -36.252 26.742 3.247 1.00 0.00 C ATOM 326 C THR A 27 -36.928 26.838 4.613 1.00 0.00 C ATOM 327 O THR A 27 -36.283 27.130 5.620 1.00 0.00 O ATOM 328 CB THR A 27 -34.863 27.392 3.311 1.00 0.00 C ATOM 329 OG1 THR A 27 -34.418 27.679 1.993 1.00 0.00 O ATOM 330 CG2 THR A 27 -33.875 26.438 3.988 1.00 0.00 C ATOM 0 H THR A 27 -37.059 28.424 2.278 1.00 0.00 H new ATOM 0 HA THR A 27 -36.149 25.690 2.981 1.00 0.00 H new ATOM 0 HB THR A 27 -34.922 28.315 3.888 1.00 0.00 H new ATOM 0 HG1 THR A 27 -33.532 28.096 2.030 1.00 0.00 H new ATOM 0 HG21 THR A 27 -32.891 26.904 4.031 1.00 0.00 H new ATOM 0 HG22 THR A 27 -34.217 26.218 4.999 1.00 0.00 H new ATOM 0 HG23 THR A 27 -33.813 25.512 3.416 1.00 0.00 H new ATOM 338 N SER A 28 -38.232 26.589 4.638 1.00 0.00 N ATOM 339 CA SER A 28 -38.984 26.648 5.886 1.00 0.00 C ATOM 340 C SER A 28 -38.446 25.626 6.881 1.00 0.00 C ATOM 341 O SER A 28 -38.282 25.924 8.064 1.00 0.00 O ATOM 342 CB SER A 28 -40.462 26.372 5.619 1.00 0.00 C ATOM 343 OG SER A 28 -41.127 26.146 6.855 1.00 0.00 O ATOM 0 H SER A 28 -38.786 26.347 3.817 1.00 0.00 H new ATOM 0 HA SER A 28 -38.873 27.646 6.309 1.00 0.00 H new ATOM 0 HB2 SER A 28 -40.914 27.217 5.099 1.00 0.00 H new ATOM 0 HB3 SER A 28 -40.570 25.503 4.970 1.00 0.00 H new ATOM 0 HG SER A 28 -42.077 25.970 6.688 1.00 0.00 H new ATOM 349 N ASN A 29 -38.173 24.418 6.394 1.00 0.00 N ATOM 350 CA ASN A 29 -37.654 23.355 7.253 1.00 0.00 C ATOM 351 C ASN A 29 -36.137 23.458 7.371 1.00 0.00 C ATOM 352 O ASN A 29 -35.483 24.102 6.550 1.00 0.00 O ATOM 353 CB ASN A 29 -38.032 21.990 6.676 1.00 0.00 C ATOM 354 CG ASN A 29 -37.338 21.779 5.334 1.00 0.00 C ATOM 355 OD1 ASN A 29 -37.844 22.315 4.256 1.00 0.00 O flip ATOM 356 ND2 ASN A 29 -36.307 21.109 5.265 1.00 0.00 N flip ATOM 0 H ASN A 29 -38.301 24.151 5.418 1.00 0.00 H new ATOM 0 HA ASN A 29 -38.093 23.464 8.245 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -37.745 21.201 7.371 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -39.113 21.926 6.550 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -35.913 20.691 6.108 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -35.847 20.972 4.365 1.00 0.00 H new ATOM 363 N ARG A 30 -35.584 22.820 8.398 1.00 0.00 N ATOM 364 CA ARG A 30 -34.140 22.846 8.618 1.00 0.00 C ATOM 365 C ARG A 30 -33.588 24.253 8.408 1.00 0.00 C ATOM 366 O ARG A 30 -32.820 24.498 7.478 1.00 0.00 O ATOM 367 CB ARG A 30 -33.450 21.878 7.656 1.00 0.00 C ATOM 368 CG ARG A 30 -33.856 20.442 7.997 1.00 0.00 C ATOM 369 CD ARG A 30 -33.263 19.484 6.963 1.00 0.00 C ATOM 370 NE ARG A 30 -31.807 19.503 7.031 1.00 0.00 N ATOM 371 CZ ARG A 30 -31.070 18.828 6.155 1.00 0.00 C ATOM 372 NH1 ARG A 30 -31.647 18.136 5.211 1.00 0.00 N ATOM 373 NH2 ARG A 30 -29.767 18.861 6.236 1.00 0.00 N ATOM 0 H ARG A 30 -36.109 22.282 9.087 1.00 0.00 H new ATOM 0 HA ARG A 30 -33.943 22.542 9.646 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -33.727 22.111 6.628 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -32.368 21.988 7.727 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -33.503 20.180 8.995 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -34.942 20.353 8.009 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -33.629 18.473 7.142 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -33.591 19.769 5.963 1.00 0.00 H new ATOM 0 HE ARG A 30 -31.346 20.043 7.763 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -32.665 18.113 5.145 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -31.080 17.618 4.539 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -29.315 19.405 6.971 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -29.201 18.343 5.564 1.00 0.00 H new ATOM 387 N ARG A 31 -33.990 25.177 9.276 1.00 0.00 N ATOM 388 CA ARG A 31 -33.533 26.558 9.170 1.00 0.00 C ATOM 389 C ARG A 31 -32.032 26.648 9.429 1.00 0.00 C ATOM 390 O ARG A 31 -31.377 27.604 9.017 1.00 0.00 O ATOM 391 CB ARG A 31 -34.284 27.433 10.177 1.00 0.00 C ATOM 392 CG ARG A 31 -33.870 28.895 9.993 1.00 0.00 C ATOM 393 CD ARG A 31 -34.694 29.783 10.926 1.00 0.00 C ATOM 394 NE ARG A 31 -36.092 29.788 10.513 1.00 0.00 N ATOM 395 CZ ARG A 31 -37.005 30.482 11.186 1.00 0.00 C ATOM 396 NH1 ARG A 31 -36.655 31.174 12.235 1.00 0.00 N ATOM 397 NH2 ARG A 31 -38.250 30.472 10.796 1.00 0.00 N ATOM 0 H ARG A 31 -34.625 24.997 10.053 1.00 0.00 H new ATOM 0 HA ARG A 31 -33.735 26.913 8.159 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -35.360 27.328 10.035 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -34.064 27.107 11.193 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -32.808 29.012 10.207 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -34.022 29.199 8.957 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -34.611 29.421 11.951 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -34.300 30.799 10.914 1.00 0.00 H new ATOM 0 HE ARG A 31 -36.375 29.250 9.694 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -35.681 31.183 12.539 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -37.355 31.707 12.752 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -38.523 29.932 9.975 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -38.950 31.004 11.312 1.00 0.00 H new ATOM 411 N LEU A 32 -31.495 25.642 10.113 1.00 0.00 N ATOM 412 CA LEU A 32 -30.073 25.613 10.427 1.00 0.00 C ATOM 413 C LEU A 32 -29.274 25.117 9.230 1.00 0.00 C ATOM 414 O LEU A 32 -28.071 24.873 9.329 1.00 0.00 O ATOM 415 CB LEU A 32 -29.822 24.699 11.629 1.00 0.00 C ATOM 416 CG LEU A 32 -30.664 25.171 12.823 1.00 0.00 C ATOM 417 CD1 LEU A 32 -30.461 24.208 13.998 1.00 0.00 C ATOM 418 CD2 LEU A 32 -30.247 26.593 13.239 1.00 0.00 C ATOM 0 H LEU A 32 -32.022 24.840 10.459 1.00 0.00 H new ATOM 0 HA LEU A 32 -29.751 26.626 10.670 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -30.078 23.670 11.375 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -28.764 24.709 11.891 1.00 0.00 H new ATOM 0 HG LEU A 32 -31.716 25.184 12.537 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -31.057 24.540 14.848 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -30.773 23.206 13.705 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -29.408 24.193 14.278 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -30.851 26.916 14.087 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -29.194 26.595 13.522 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -30.399 27.276 12.403 1.00 0.00 H new ATOM 430 N GLN A 33 -29.949 24.966 8.097 1.00 0.00 N ATOM 431 CA GLN A 33 -29.289 24.495 6.886 1.00 0.00 C ATOM 432 C GLN A 33 -28.192 25.466 6.462 1.00 0.00 C ATOM 433 O GLN A 33 -27.097 25.052 6.076 1.00 0.00 O ATOM 434 CB GLN A 33 -30.314 24.354 5.757 1.00 0.00 C ATOM 435 CG GLN A 33 -29.622 23.810 4.506 1.00 0.00 C ATOM 436 CD GLN A 33 -30.659 23.493 3.434 1.00 0.00 C ATOM 437 OE1 GLN A 33 -31.846 23.367 3.734 1.00 0.00 O ATOM 438 NE2 GLN A 33 -30.280 23.359 2.192 1.00 0.00 N ATOM 0 H GLN A 33 -30.945 25.161 7.991 1.00 0.00 H new ATOM 0 HA GLN A 33 -28.838 23.524 7.092 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -31.117 23.683 6.062 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -30.770 25.321 5.542 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -28.908 24.542 4.128 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -29.057 22.912 4.754 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -29.296 23.464 1.945 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -30.968 23.150 1.469 1.00 0.00 H new ATOM 447 N GLN A 34 -28.490 26.758 6.532 1.00 0.00 N ATOM 448 CA GLN A 34 -27.525 27.779 6.155 1.00 0.00 C ATOM 449 C GLN A 34 -26.449 27.929 7.227 1.00 0.00 C ATOM 450 O GLN A 34 -25.333 28.364 6.945 1.00 0.00 O ATOM 451 CB GLN A 34 -28.239 29.117 5.948 1.00 0.00 C ATOM 452 CG GLN A 34 -28.943 29.539 7.245 1.00 0.00 C ATOM 453 CD GLN A 34 -27.943 30.172 8.210 1.00 0.00 C ATOM 454 OE1 GLN A 34 -28.171 30.128 9.494 1.00 0.00 O flip ATOM 455 NE2 GLN A 34 -26.930 30.724 7.780 1.00 0.00 N flip ATOM 0 H GLN A 34 -29.390 27.121 6.846 1.00 0.00 H new ATOM 0 HA GLN A 34 -27.046 27.474 5.224 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -27.521 29.880 5.649 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -28.966 29.030 5.141 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -29.740 30.248 7.020 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -29.410 28.672 7.712 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -26.754 30.757 6.776 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -26.266 31.148 8.428 1.00 0.00 H new ATOM 464 N THR A 35 -26.797 27.576 8.461 1.00 0.00 N ATOM 465 CA THR A 35 -25.855 27.682 9.571 1.00 0.00 C ATOM 466 C THR A 35 -24.657 26.763 9.355 1.00 0.00 C ATOM 467 O THR A 35 -23.510 27.174 9.530 1.00 0.00 O ATOM 468 CB THR A 35 -26.550 27.315 10.883 1.00 0.00 C ATOM 469 OG1 THR A 35 -27.616 28.223 11.122 1.00 0.00 O ATOM 470 CG2 THR A 35 -25.546 27.387 12.033 1.00 0.00 C ATOM 0 H THR A 35 -27.717 27.217 8.717 1.00 0.00 H new ATOM 0 HA THR A 35 -25.501 28.712 9.621 1.00 0.00 H new ATOM 0 HB THR A 35 -26.945 26.301 10.814 1.00 0.00 H new ATOM 0 HG1 THR A 35 -27.469 29.043 10.606 1.00 0.00 H new ATOM 0 HG21 THR A 35 -26.043 27.125 12.967 1.00 0.00 H new ATOM 0 HG22 THR A 35 -24.730 26.688 11.848 1.00 0.00 H new ATOM 0 HG23 THR A 35 -25.148 28.399 12.105 1.00 0.00 H new ATOM 478 N GLN A 36 -24.929 25.519 8.975 1.00 0.00 N ATOM 479 CA GLN A 36 -23.864 24.550 8.740 1.00 0.00 C ATOM 480 C GLN A 36 -23.239 24.760 7.364 1.00 0.00 C ATOM 481 O GLN A 36 -22.188 24.198 7.056 1.00 0.00 O ATOM 482 CB GLN A 36 -24.420 23.128 8.841 1.00 0.00 C ATOM 483 CG GLN A 36 -25.565 22.947 7.839 1.00 0.00 C ATOM 484 CD GLN A 36 -26.080 21.515 7.889 1.00 0.00 C ATOM 485 OE1 GLN A 36 -25.319 20.588 8.168 1.00 0.00 O ATOM 486 NE2 GLN A 36 -27.337 21.275 7.631 1.00 0.00 N ATOM 0 H GLN A 36 -25.871 25.159 8.824 1.00 0.00 H new ATOM 0 HA GLN A 36 -23.095 24.693 9.499 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -23.631 22.404 8.640 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -24.777 22.938 9.853 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -26.373 23.641 8.069 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -25.219 23.183 6.833 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -27.966 22.044 7.400 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -27.690 20.319 7.660 1.00 0.00 H new ATOM 495 N ALA A 37 -23.896 25.570 6.539 1.00 0.00 N ATOM 496 CA ALA A 37 -23.403 25.844 5.198 1.00 0.00 C ATOM 497 C ALA A 37 -22.108 26.645 5.256 1.00 0.00 C ATOM 498 O ALA A 37 -21.403 26.778 4.256 1.00 0.00 O ATOM 499 CB ALA A 37 -24.451 26.620 4.400 1.00 0.00 C ATOM 0 H ALA A 37 -24.767 26.045 6.776 1.00 0.00 H new ATOM 0 HA ALA A 37 -23.206 24.892 4.705 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -24.071 26.819 3.398 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -25.365 26.031 4.331 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -24.665 27.564 4.902 1.00 0.00 H new ATOM 505 N GLN A 38 -21.802 27.177 6.434 1.00 0.00 N ATOM 506 CA GLN A 38 -20.589 27.964 6.617 1.00 0.00 C ATOM 507 C GLN A 38 -19.378 27.217 6.065 1.00 0.00 C ATOM 508 O GLN A 38 -18.365 27.824 5.721 1.00 0.00 O ATOM 509 CB GLN A 38 -20.379 28.260 8.106 1.00 0.00 C ATOM 510 CG GLN A 38 -20.307 26.945 8.896 1.00 0.00 C ATOM 511 CD GLN A 38 -18.927 26.312 8.738 1.00 0.00 C ATOM 512 OE1 GLN A 38 -17.933 27.020 8.588 1.00 0.00 O ATOM 513 NE2 GLN A 38 -18.808 25.013 8.763 1.00 0.00 N ATOM 0 H GLN A 38 -22.374 27.078 7.273 1.00 0.00 H new ATOM 0 HA GLN A 38 -20.699 28.902 6.074 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -19.460 28.829 8.246 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -21.196 28.876 8.482 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -20.510 27.134 9.950 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -21.074 26.256 8.542 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -19.634 24.428 8.888 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -17.889 24.583 8.658 1.00 0.00 H new ATOM 522 N VAL A 39 -19.494 25.896 5.988 1.00 0.00 N ATOM 523 CA VAL A 39 -18.403 25.070 5.480 1.00 0.00 C ATOM 524 C VAL A 39 -18.074 25.452 4.040 1.00 0.00 C ATOM 525 O VAL A 39 -16.946 25.274 3.581 1.00 0.00 O ATOM 526 CB VAL A 39 -18.788 23.593 5.543 1.00 0.00 C ATOM 527 CG1 VAL A 39 -19.958 23.328 4.595 1.00 0.00 C ATOM 528 CG2 VAL A 39 -17.591 22.736 5.126 1.00 0.00 C ATOM 0 H VAL A 39 -20.326 25.376 6.268 1.00 0.00 H new ATOM 0 HA VAL A 39 -17.524 25.239 6.102 1.00 0.00 H new ATOM 0 HB VAL A 39 -19.082 23.338 6.561 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -20.232 22.274 4.641 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -20.812 23.938 4.891 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -19.666 23.583 3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -17.865 21.682 5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -17.297 22.992 4.108 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -16.757 22.923 5.802 1.00 0.00 H new ATOM 538 N ASP A 40 -19.067 25.978 3.332 1.00 0.00 N ATOM 539 CA ASP A 40 -18.873 26.385 1.945 1.00 0.00 C ATOM 540 C ASP A 40 -17.818 27.480 1.853 1.00 0.00 C ATOM 541 O ASP A 40 -17.024 27.513 0.914 1.00 0.00 O ATOM 542 CB ASP A 40 -20.193 26.894 1.362 1.00 0.00 C ATOM 543 CG ASP A 40 -19.972 27.412 -0.055 1.00 0.00 C ATOM 544 OD1 ASP A 40 -18.904 27.173 -0.593 1.00 0.00 O ATOM 545 OD2 ASP A 40 -20.875 28.044 -0.581 1.00 0.00 O ATOM 0 H ASP A 40 -20.009 26.132 3.692 1.00 0.00 H new ATOM 0 HA ASP A 40 -18.534 25.520 1.375 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -20.930 26.091 1.354 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -20.595 27.689 1.990 1.00 0.00 H new ATOM 550 N GLU A 41 -17.819 28.380 2.827 1.00 0.00 N ATOM 551 CA GLU A 41 -16.858 29.477 2.844 1.00 0.00 C ATOM 552 C GLU A 41 -15.440 28.942 3.031 1.00 0.00 C ATOM 553 O GLU A 41 -14.471 29.544 2.570 1.00 0.00 O ATOM 554 CB GLU A 41 -17.193 30.448 3.975 1.00 0.00 C ATOM 555 CG GLU A 41 -18.619 30.973 3.785 1.00 0.00 C ATOM 556 CD GLU A 41 -18.716 31.784 2.498 1.00 0.00 C ATOM 557 OE1 GLU A 41 -17.684 32.227 2.020 1.00 0.00 O ATOM 558 OE2 GLU A 41 -19.819 31.941 2.002 1.00 0.00 O ATOM 0 H GLU A 41 -18.470 28.374 3.612 1.00 0.00 H new ATOM 0 HA GLU A 41 -16.915 30.001 1.890 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.103 29.947 4.939 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -16.485 31.277 3.980 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -19.320 30.139 3.751 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -18.902 31.593 4.636 1.00 0.00 H new ATOM 565 N VAL A 42 -15.329 27.811 3.721 1.00 0.00 N ATOM 566 CA VAL A 42 -14.025 27.207 3.970 1.00 0.00 C ATOM 567 C VAL A 42 -13.431 26.651 2.678 1.00 0.00 C ATOM 568 O VAL A 42 -12.214 26.517 2.550 1.00 0.00 O ATOM 569 CB VAL A 42 -14.156 26.080 4.996 1.00 0.00 C ATOM 570 CG1 VAL A 42 -12.787 25.437 5.233 1.00 0.00 C ATOM 571 CG2 VAL A 42 -14.686 26.652 6.313 1.00 0.00 C ATOM 0 H VAL A 42 -16.118 27.298 4.114 1.00 0.00 H new ATOM 0 HA VAL A 42 -13.361 27.979 4.359 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.848 25.326 4.620 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -12.884 24.635 5.964 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.409 25.030 4.295 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.092 26.188 5.608 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -14.780 25.851 7.046 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -13.994 27.406 6.687 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -15.662 27.107 6.145 1.00 0.00 H new ATOM 581 N VAL A 43 -14.298 26.321 1.726 1.00 0.00 N ATOM 582 CA VAL A 43 -13.844 25.768 0.454 1.00 0.00 C ATOM 583 C VAL A 43 -12.960 26.770 -0.286 1.00 0.00 C ATOM 584 O VAL A 43 -11.889 26.419 -0.778 1.00 0.00 O ATOM 585 CB VAL A 43 -15.050 25.415 -0.420 1.00 0.00 C ATOM 586 CG1 VAL A 43 -14.572 24.936 -1.794 1.00 0.00 C ATOM 587 CG2 VAL A 43 -15.863 24.307 0.258 1.00 0.00 C ATOM 0 H VAL A 43 -15.309 26.425 1.809 1.00 0.00 H new ATOM 0 HA VAL A 43 -13.263 24.869 0.659 1.00 0.00 H new ATOM 0 HB VAL A 43 -15.675 26.299 -0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -15.434 24.686 -2.412 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -13.997 25.727 -2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -13.944 24.053 -1.673 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -16.722 24.054 -0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -15.237 23.424 0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.209 24.653 1.232 1.00 0.00 H new ATOM 597 N ASP A 44 -13.416 28.015 -0.359 1.00 0.00 N ATOM 598 CA ASP A 44 -12.655 29.056 -1.042 1.00 0.00 C ATOM 599 C ASP A 44 -11.420 29.443 -0.231 1.00 0.00 C ATOM 600 O ASP A 44 -10.350 29.679 -0.791 1.00 0.00 O ATOM 601 CB ASP A 44 -13.538 30.288 -1.259 1.00 0.00 C ATOM 602 CG ASP A 44 -14.334 30.582 0.006 1.00 0.00 C ATOM 603 OD1 ASP A 44 -15.182 29.774 0.344 1.00 0.00 O ATOM 604 OD2 ASP A 44 -14.090 31.612 0.614 1.00 0.00 O ATOM 0 H ASP A 44 -14.300 28.327 0.042 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.329 28.668 -2.007 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.921 31.148 -1.519 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.216 30.118 -2.095 1.00 0.00 H new ATOM 609 N ILE A 45 -11.578 29.513 1.086 1.00 0.00 N ATOM 610 CA ILE A 45 -10.469 29.882 1.956 1.00 0.00 C ATOM 611 C ILE A 45 -9.356 28.842 1.871 1.00 0.00 C ATOM 612 O ILE A 45 -8.177 29.183 1.790 1.00 0.00 O ATOM 613 CB ILE A 45 -10.960 29.992 3.401 1.00 0.00 C ATOM 614 CG1 ILE A 45 -11.935 31.165 3.519 1.00 0.00 C ATOM 615 CG2 ILE A 45 -9.769 30.231 4.331 1.00 0.00 C ATOM 616 CD1 ILE A 45 -12.642 31.107 4.876 1.00 0.00 C ATOM 0 H ILE A 45 -12.455 29.321 1.571 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.076 30.845 1.631 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.462 29.067 3.683 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.399 32.109 3.416 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.668 31.125 2.713 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -10.121 30.309 5.360 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.070 29.399 4.249 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.266 31.156 4.048 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -13.337 31.943 4.960 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.191 30.169 4.961 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -11.902 31.168 5.674 1.00 0.00 H new ATOM 628 N MET A 46 -9.741 27.572 1.894 1.00 0.00 N ATOM 629 CA MET A 46 -8.769 26.488 1.823 1.00 0.00 C ATOM 630 C MET A 46 -7.996 26.549 0.513 1.00 0.00 C ATOM 631 O MET A 46 -6.790 26.313 0.480 1.00 0.00 O ATOM 632 CB MET A 46 -9.478 25.138 1.938 1.00 0.00 C ATOM 633 CG MET A 46 -8.438 24.017 1.925 1.00 0.00 C ATOM 634 SD MET A 46 -9.247 22.439 2.298 1.00 0.00 S ATOM 635 CE MET A 46 -8.539 22.181 3.946 1.00 0.00 C ATOM 0 H MET A 46 -10.713 27.268 1.961 1.00 0.00 H new ATOM 0 HA MET A 46 -8.069 26.599 2.651 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.061 25.098 2.858 1.00 0.00 H new ATOM 0 HB3 MET A 46 -10.177 25.010 1.112 1.00 0.00 H new ATOM 0 HG2 MET A 46 -7.953 23.968 0.950 1.00 0.00 H new ATOM 0 HG3 MET A 46 -7.659 24.221 2.659 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.915 21.246 4.361 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.453 22.134 3.872 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.823 23.008 4.597 1.00 0.00 H new ATOM 645 N ARG A 47 -8.701 26.865 -0.564 1.00 0.00 N ATOM 646 CA ARG A 47 -8.072 26.949 -1.876 1.00 0.00 C ATOM 647 C ARG A 47 -6.934 27.964 -1.859 1.00 0.00 C ATOM 648 O ARG A 47 -5.865 27.724 -2.422 1.00 0.00 O ATOM 649 CB ARG A 47 -9.104 27.359 -2.927 1.00 0.00 C ATOM 650 CG ARG A 47 -8.545 27.102 -4.344 1.00 0.00 C ATOM 651 CD ARG A 47 -8.945 25.700 -4.814 1.00 0.00 C ATOM 652 NE ARG A 47 -10.393 25.625 -4.969 1.00 0.00 N ATOM 653 CZ ARG A 47 -11.014 24.457 -5.077 1.00 0.00 C ATOM 654 NH1 ARG A 47 -10.327 23.349 -5.039 1.00 0.00 N ATOM 655 NH2 ARG A 47 -12.312 24.416 -5.215 1.00 0.00 N ATOM 0 H ARG A 47 -9.701 27.066 -0.557 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.669 25.968 -2.127 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -10.026 26.795 -2.783 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -9.354 28.414 -2.811 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.928 27.851 -5.037 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.459 27.198 -4.339 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.456 25.471 -5.761 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.608 24.955 -4.093 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.939 26.486 -4.995 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.314 23.381 -4.926 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.803 22.451 -5.122 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.850 25.282 -5.240 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.788 23.518 -5.298 1.00 0.00 H new ATOM 669 N VAL A 48 -7.173 29.103 -1.218 1.00 0.00 N ATOM 670 CA VAL A 48 -6.165 30.151 -1.136 1.00 0.00 C ATOM 671 C VAL A 48 -4.920 29.640 -0.419 1.00 0.00 C ATOM 672 O VAL A 48 -3.795 29.905 -0.842 1.00 0.00 O ATOM 673 CB VAL A 48 -6.731 31.364 -0.393 1.00 0.00 C ATOM 674 CG1 VAL A 48 -5.629 32.401 -0.187 1.00 0.00 C ATOM 675 CG2 VAL A 48 -7.866 31.984 -1.211 1.00 0.00 C ATOM 0 H VAL A 48 -8.052 29.323 -0.750 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.889 30.446 -2.148 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.114 31.044 0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.035 33.263 0.342 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.822 31.962 0.400 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.243 32.719 -1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.267 32.847 -0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.484 32.300 -2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.656 31.247 -1.354 1.00 0.00 H new ATOM 685 N ASN A 49 -5.129 28.910 0.668 1.00 0.00 N ATOM 686 CA ASN A 49 -4.015 28.369 1.437 1.00 0.00 C ATOM 687 C ASN A 49 -3.146 27.481 0.554 1.00 0.00 C ATOM 688 O ASN A 49 -1.922 27.471 0.680 1.00 0.00 O ATOM 689 CB ASN A 49 -4.543 27.562 2.624 1.00 0.00 C ATOM 690 CG ASN A 49 -3.379 26.973 3.414 1.00 0.00 C ATOM 691 OD1 ASN A 49 -2.405 27.670 3.699 1.00 0.00 O ATOM 692 ND2 ASN A 49 -3.421 25.724 3.788 1.00 0.00 N ATOM 0 H ASN A 49 -6.052 28.680 1.036 1.00 0.00 H new ATOM 0 HA ASN A 49 -3.411 29.197 1.807 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.145 28.201 3.270 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.194 26.763 2.270 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.646 25.324 4.317 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.229 25.148 3.551 1.00 0.00 H new ATOM 699 N VAL A 50 -3.787 26.733 -0.338 1.00 0.00 N ATOM 700 CA VAL A 50 -3.061 25.841 -1.235 1.00 0.00 C ATOM 701 C VAL A 50 -2.149 26.638 -2.158 1.00 0.00 C ATOM 702 O VAL A 50 -1.103 26.153 -2.593 1.00 0.00 O ATOM 703 CB VAL A 50 -4.045 25.026 -2.070 1.00 0.00 C ATOM 704 CG1 VAL A 50 -3.272 24.140 -3.050 1.00 0.00 C ATOM 705 CG2 VAL A 50 -4.891 24.148 -1.146 1.00 0.00 C ATOM 0 H VAL A 50 -4.800 26.726 -0.459 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.452 25.168 -0.632 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.695 25.701 -2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.975 23.558 -3.646 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.669 24.766 -3.708 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.621 23.465 -2.494 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.594 23.565 -1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.241 23.473 -0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.442 24.779 -0.448 1.00 0.00 H new ATOM 715 N ASP A 51 -2.556 27.860 -2.455 1.00 0.00 N ATOM 716 CA ASP A 51 -1.770 28.729 -3.330 1.00 0.00 C ATOM 717 C ASP A 51 -0.594 29.343 -2.571 1.00 0.00 C ATOM 718 O ASP A 51 0.439 29.652 -3.160 1.00 0.00 O ATOM 719 CB ASP A 51 -2.649 29.846 -3.893 1.00 0.00 C ATOM 720 CG ASP A 51 -3.684 29.260 -4.849 1.00 0.00 C ATOM 721 OD1 ASP A 51 -3.579 28.084 -5.154 1.00 0.00 O ATOM 722 OD2 ASP A 51 -4.565 29.997 -5.260 1.00 0.00 O ATOM 0 H ASP A 51 -3.420 28.276 -2.108 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.383 28.122 -4.149 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.149 30.372 -3.080 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.032 30.578 -4.415 1.00 0.00 H new ATOM 727 N LYS A 52 -0.760 29.519 -1.264 1.00 0.00 N ATOM 728 CA LYS A 52 0.296 30.089 -0.435 1.00 0.00 C ATOM 729 C LYS A 52 1.472 29.129 -0.314 1.00 0.00 C ATOM 730 O LYS A 52 2.633 29.538 -0.369 1.00 0.00 O ATOM 731 CB LYS A 52 -0.250 30.422 0.956 1.00 0.00 C ATOM 732 CG LYS A 52 -1.137 31.667 0.876 1.00 0.00 C ATOM 733 CD LYS A 52 -1.662 32.006 2.271 1.00 0.00 C ATOM 734 CE LYS A 52 -2.459 33.311 2.216 1.00 0.00 C ATOM 735 NZ LYS A 52 -1.526 34.455 2.014 1.00 0.00 N ATOM 0 H LYS A 52 -1.612 29.276 -0.758 1.00 0.00 H new ATOM 0 HA LYS A 52 0.647 31.004 -0.913 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.823 29.580 1.344 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.573 30.594 1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.569 32.507 0.475 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.970 31.491 0.195 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.294 31.198 2.639 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.831 32.105 2.969 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.185 33.272 1.404 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.021 33.445 3.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.002 35.342 2.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.683 34.325 2.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.240 34.498 1.015 1.00 0.00 H new ATOM 749 N VAL A 53 1.160 27.854 -0.137 1.00 0.00 N ATOM 750 CA VAL A 53 2.195 26.840 0.004 1.00 0.00 C ATOM 751 C VAL A 53 2.854 26.549 -1.336 1.00 0.00 C ATOM 752 O VAL A 53 3.903 25.914 -1.399 1.00 0.00 O ATOM 753 CB VAL A 53 1.598 25.551 0.574 1.00 0.00 C ATOM 754 CG1 VAL A 53 1.042 25.820 1.974 1.00 0.00 C ATOM 755 CG2 VAL A 53 0.471 25.068 -0.338 1.00 0.00 C ATOM 0 H VAL A 53 0.205 27.498 -0.088 1.00 0.00 H new ATOM 0 HA VAL A 53 2.952 27.222 0.690 1.00 0.00 H new ATOM 0 HB VAL A 53 2.372 24.786 0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.617 24.902 2.379 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.845 26.166 2.624 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.267 26.584 1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.044 24.150 0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.303 25.833 -0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.867 24.876 -1.335 1.00 0.00 H new ATOM 765 N LEU A 54 2.225 27.011 -2.406 1.00 0.00 N ATOM 766 CA LEU A 54 2.756 26.788 -3.743 1.00 0.00 C ATOM 767 C LEU A 54 4.112 27.461 -3.904 1.00 0.00 C ATOM 768 O LEU A 54 5.008 26.931 -4.562 1.00 0.00 O ATOM 769 CB LEU A 54 1.782 27.325 -4.799 1.00 0.00 C ATOM 770 CG LEU A 54 2.315 27.032 -6.213 1.00 0.00 C ATOM 771 CD1 LEU A 54 2.435 25.514 -6.434 1.00 0.00 C ATOM 772 CD2 LEU A 54 1.352 27.633 -7.245 1.00 0.00 C ATOM 0 H LEU A 54 1.353 27.539 -2.376 1.00 0.00 H new ATOM 0 HA LEU A 54 2.880 25.714 -3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.803 26.864 -4.669 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.648 28.399 -4.668 1.00 0.00 H new ATOM 0 HG LEU A 54 3.303 27.478 -6.326 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.813 25.321 -7.438 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.122 25.093 -5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.455 25.051 -6.320 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.722 27.430 -8.250 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.365 27.186 -7.125 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.283 28.710 -7.095 1.00 0.00 H new ATOM 784 N GLU A 55 4.246 28.638 -3.318 1.00 0.00 N ATOM 785 CA GLU A 55 5.489 29.392 -3.414 1.00 0.00 C ATOM 786 C GLU A 55 6.564 28.796 -2.513 1.00 0.00 C ATOM 787 O GLU A 55 7.399 29.517 -1.963 1.00 0.00 O ATOM 788 CB GLU A 55 5.251 30.853 -3.028 1.00 0.00 C ATOM 789 CG GLU A 55 4.327 31.529 -4.052 1.00 0.00 C ATOM 790 CD GLU A 55 2.868 31.201 -3.744 1.00 0.00 C ATOM 791 OE1 GLU A 55 2.638 30.420 -2.838 1.00 0.00 O ATOM 792 OE2 GLU A 55 2.005 31.740 -4.417 1.00 0.00 O ATOM 0 H GLU A 55 3.514 29.093 -2.772 1.00 0.00 H new ATOM 0 HA GLU A 55 5.833 29.339 -4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.805 30.906 -2.035 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.202 31.383 -2.980 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.477 32.608 -4.031 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.579 31.192 -5.058 1.00 0.00 H new ATOM 799 N ARG A 56 6.540 27.474 -2.367 1.00 0.00 N ATOM 800 CA ARG A 56 7.521 26.774 -1.535 1.00 0.00 C ATOM 801 C ARG A 56 8.431 25.904 -2.398 1.00 0.00 C ATOM 802 O ARG A 56 9.247 25.141 -1.882 1.00 0.00 O ATOM 803 CB ARG A 56 6.806 25.902 -0.503 1.00 0.00 C ATOM 804 CG ARG A 56 6.054 26.801 0.481 1.00 0.00 C ATOM 805 CD ARG A 56 5.288 25.935 1.481 1.00 0.00 C ATOM 806 NE ARG A 56 6.225 25.158 2.288 1.00 0.00 N ATOM 807 CZ ARG A 56 6.792 25.673 3.376 1.00 0.00 C ATOM 808 NH1 ARG A 56 6.517 26.897 3.734 1.00 0.00 N ATOM 809 NH2 ARG A 56 7.622 24.956 4.081 1.00 0.00 N ATOM 0 H ARG A 56 5.854 26.864 -2.812 1.00 0.00 H new ATOM 0 HA ARG A 56 8.129 27.518 -1.020 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.111 25.225 -1.000 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.528 25.283 0.030 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.755 27.449 1.007 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.364 27.450 -0.058 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.675 26.565 2.126 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.610 25.266 0.951 1.00 0.00 H new ATOM 0 HE ARG A 56 6.449 24.202 2.012 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.869 27.457 3.180 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.950 27.294 4.568 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.837 24.000 3.799 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.056 25.351 4.915 1.00 0.00 H new ATOM 823 N ASP A 57 8.285 26.021 -3.714 1.00 0.00 N ATOM 824 CA ASP A 57 9.103 25.238 -4.633 1.00 0.00 C ATOM 825 C ASP A 57 10.582 25.567 -4.450 1.00 0.00 C ATOM 826 O ASP A 57 11.425 24.672 -4.399 1.00 0.00 O ATOM 827 CB ASP A 57 8.691 25.526 -6.078 1.00 0.00 C ATOM 828 CG ASP A 57 9.548 24.710 -7.044 1.00 0.00 C ATOM 829 OD1 ASP A 57 10.477 24.068 -6.585 1.00 0.00 O ATOM 830 OD2 ASP A 57 9.261 24.742 -8.230 1.00 0.00 O ATOM 0 H ASP A 57 7.615 26.644 -4.165 1.00 0.00 H new ATOM 0 HA ASP A 57 8.947 24.182 -4.415 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.638 25.282 -6.219 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.803 26.589 -6.291 1.00 0.00 H new ATOM 835 N GLN A 58 10.889 26.857 -4.350 1.00 0.00 N ATOM 836 CA GLN A 58 12.267 27.293 -4.173 1.00 0.00 C ATOM 837 C GLN A 58 12.712 27.096 -2.727 1.00 0.00 C ATOM 838 O GLN A 58 11.928 27.274 -1.795 1.00 0.00 O ATOM 839 CB GLN A 58 12.403 28.767 -4.555 1.00 0.00 C ATOM 840 CG GLN A 58 11.410 29.598 -3.744 1.00 0.00 C ATOM 841 CD GLN A 58 11.561 31.074 -4.090 1.00 0.00 C ATOM 842 OE1 GLN A 58 12.754 31.585 -4.224 1.00 0.00 O flip ATOM 843 NE2 GLN A 58 10.565 31.783 -4.239 1.00 0.00 N flip ATOM 0 H GLN A 58 10.206 27.613 -4.388 1.00 0.00 H new ATOM 0 HA GLN A 58 12.903 26.691 -4.821 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.420 29.110 -4.366 1.00 0.00 H new ATOM 0 HB3 GLN A 58 12.216 28.896 -5.621 1.00 0.00 H new ATOM 0 HG2 GLN A 58 10.392 29.269 -3.953 1.00 0.00 H new ATOM 0 HG3 GLN A 58 11.581 29.446 -2.678 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.633 31.382 -4.134 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.672 32.771 -4.468 1.00 0.00 H new ATOM 852 N LYS A 59 13.974 26.726 -2.548 1.00 0.00 N ATOM 853 CA LYS A 59 14.513 26.506 -1.213 1.00 0.00 C ATOM 854 C LYS A 59 14.583 27.819 -0.446 1.00 0.00 C ATOM 855 O LYS A 59 13.727 28.107 0.393 1.00 0.00 O ATOM 856 CB LYS A 59 15.913 25.896 -1.316 1.00 0.00 C ATOM 857 CG LYS A 59 15.874 24.639 -2.196 1.00 0.00 C ATOM 858 CD LYS A 59 15.075 23.531 -1.503 1.00 0.00 C ATOM 859 CE LYS A 59 15.346 22.197 -2.197 1.00 0.00 C ATOM 860 NZ LYS A 59 14.667 21.108 -1.443 1.00 0.00 N ATOM 0 H LYS A 59 14.639 26.573 -3.306 1.00 0.00 H new ATOM 0 HA LYS A 59 13.855 25.821 -0.678 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.606 26.624 -1.738 1.00 0.00 H new ATOM 0 HB3 LYS A 59 16.283 25.643 -0.322 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.422 24.875 -3.159 1.00 0.00 H new ATOM 0 HG3 LYS A 59 16.889 24.295 -2.396 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.355 23.469 -0.451 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.010 23.761 -1.536 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.982 22.227 -3.224 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.419 22.009 -2.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.848 20.197 -1.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.035 21.077 -0.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.643 21.288 -1.420 1.00 0.00 H new ATOM 874 N LEU A 60 15.607 28.615 -0.734 1.00 0.00 N ATOM 875 CA LEU A 60 15.786 29.896 -0.065 1.00 0.00 C ATOM 876 C LEU A 60 15.074 31.000 -0.834 1.00 0.00 C ATOM 877 O LEU A 60 15.061 31.011 -2.068 1.00 0.00 O ATOM 878 CB LEU A 60 17.279 30.223 0.049 1.00 0.00 C ATOM 879 CG LEU A 60 17.896 29.441 1.223 1.00 0.00 C ATOM 880 CD1 LEU A 60 17.370 29.973 2.579 1.00 0.00 C ATOM 881 CD2 LEU A 60 17.546 27.952 1.074 1.00 0.00 C ATOM 0 H LEU A 60 16.324 28.395 -1.425 1.00 0.00 H new ATOM 0 HA LEU A 60 15.356 29.830 0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 60 17.789 29.966 -0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 60 17.416 31.294 0.201 1.00 0.00 H new ATOM 0 HG LEU A 60 18.978 29.572 1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 60 17.821 29.404 3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 60 17.632 31.026 2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 60 16.286 29.864 2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 60 17.980 27.392 1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 60 16.463 27.830 1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 60 17.947 27.576 0.132 1.00 0.00 H new ATOM 893 N SER A 61 14.471 31.928 -0.095 1.00 0.00 N ATOM 894 CA SER A 61 13.749 33.037 -0.702 1.00 0.00 C ATOM 895 C SER A 61 14.575 34.318 -0.644 1.00 0.00 C ATOM 896 O SER A 61 15.252 34.676 -1.610 1.00 0.00 O ATOM 897 CB SER A 61 12.420 33.251 0.017 1.00 0.00 C ATOM 898 OG SER A 61 11.616 32.090 -0.142 1.00 0.00 O ATOM 0 H SER A 61 14.470 31.932 0.925 1.00 0.00 H new ATOM 0 HA SER A 61 13.561 32.791 -1.747 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.592 33.448 1.075 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.908 34.123 -0.390 1.00 0.00 H new ATOM 0 HG SER A 61 10.761 32.219 0.319 1.00 0.00 H new ATOM 904 N GLU A 62 14.513 35.013 0.495 1.00 0.00 N ATOM 905 CA GLU A 62 15.248 36.264 0.674 1.00 0.00 C ATOM 906 C GLU A 62 16.114 36.207 1.933 1.00 0.00 C ATOM 907 O GLU A 62 16.970 37.065 2.153 1.00 0.00 O ATOM 908 CB GLU A 62 14.259 37.430 0.783 1.00 0.00 C ATOM 909 CG GLU A 62 15.022 38.757 0.754 1.00 0.00 C ATOM 910 CD GLU A 62 14.046 39.922 0.657 1.00 0.00 C ATOM 911 OE1 GLU A 62 12.859 39.690 0.816 1.00 0.00 O ATOM 912 OE2 GLU A 62 14.501 41.029 0.420 1.00 0.00 O ATOM 0 H GLU A 62 13.962 34.729 1.305 1.00 0.00 H new ATOM 0 HA GLU A 62 15.898 36.412 -0.189 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.545 37.392 -0.039 1.00 0.00 H new ATOM 0 HB3 GLU A 62 13.686 37.349 1.707 1.00 0.00 H new ATOM 0 HG2 GLU A 62 15.629 38.856 1.654 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.705 38.774 -0.095 1.00 0.00 H new ATOM 919 N LEU A 63 15.894 35.187 2.751 1.00 0.00 N ATOM 920 CA LEU A 63 16.659 35.035 3.979 1.00 0.00 C ATOM 921 C LEU A 63 18.141 34.881 3.660 1.00 0.00 C ATOM 922 O LEU A 63 18.996 35.420 4.365 1.00 0.00 O ATOM 923 CB LEU A 63 16.164 33.806 4.756 1.00 0.00 C ATOM 924 CG LEU A 63 14.897 34.164 5.534 1.00 0.00 C ATOM 925 CD1 LEU A 63 13.814 34.634 4.558 1.00 0.00 C ATOM 926 CD2 LEU A 63 14.403 32.930 6.292 1.00 0.00 C ATOM 0 H LEU A 63 15.198 34.459 2.588 1.00 0.00 H new ATOM 0 HA LEU A 63 16.520 35.926 4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 63 15.960 32.986 4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 63 16.938 33.461 5.442 1.00 0.00 H new ATOM 0 HG LEU A 63 15.116 34.963 6.242 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.911 34.889 5.112 1.00 0.00 H new ATOM 0 HD12 LEU A 63 14.168 35.512 4.017 1.00 0.00 H new ATOM 0 HD13 LEU A 63 13.592 33.836 3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 63 13.500 33.182 6.848 1.00 0.00 H new ATOM 0 HD22 LEU A 63 14.182 32.132 5.583 1.00 0.00 H new ATOM 0 HD23 LEU A 63 15.175 32.596 6.986 1.00 0.00 H new ATOM 938 N ASP A 64 18.445 34.142 2.599 1.00 0.00 N ATOM 939 CA ASP A 64 19.833 33.924 2.207 1.00 0.00 C ATOM 940 C ASP A 64 20.636 35.218 2.316 1.00 0.00 C ATOM 941 O ASP A 64 21.584 35.308 3.095 1.00 0.00 O ATOM 942 CB ASP A 64 19.887 33.419 0.766 1.00 0.00 C ATOM 943 CG ASP A 64 21.331 33.152 0.359 1.00 0.00 C ATOM 944 OD1 ASP A 64 22.215 33.478 1.135 1.00 0.00 O ATOM 945 OD2 ASP A 64 21.535 32.627 -0.722 1.00 0.00 O ATOM 0 H ASP A 64 17.756 33.687 1.999 1.00 0.00 H new ATOM 0 HA ASP A 64 20.267 33.183 2.878 1.00 0.00 H new ATOM 0 HB2 ASP A 64 19.299 32.506 0.670 1.00 0.00 H new ATOM 0 HB3 ASP A 64 19.443 34.156 0.097 1.00 0.00 H new ATOM 950 N ASP A 65 20.242 36.222 1.539 1.00 0.00 N ATOM 951 CA ASP A 65 20.928 37.507 1.566 1.00 0.00 C ATOM 952 C ASP A 65 20.136 38.555 0.793 1.00 0.00 C ATOM 953 O ASP A 65 19.156 38.235 0.121 1.00 0.00 O ATOM 954 CB ASP A 65 22.325 37.369 0.960 1.00 0.00 C ATOM 955 CG ASP A 65 22.220 37.000 -0.513 1.00 0.00 C ATOM 956 OD1 ASP A 65 21.124 36.686 -0.947 1.00 0.00 O ATOM 957 OD2 ASP A 65 23.237 37.030 -1.185 1.00 0.00 O ATOM 0 H ASP A 65 19.458 36.171 0.888 1.00 0.00 H new ATOM 0 HA ASP A 65 21.015 37.828 2.604 1.00 0.00 H new ATOM 0 HB2 ASP A 65 22.872 38.305 1.071 1.00 0.00 H new ATOM 0 HB3 ASP A 65 22.889 36.605 1.495 1.00 0.00 H new ATOM 962 N ARG A 66 20.565 39.809 0.892 1.00 0.00 N ATOM 963 CA ARG A 66 19.887 40.895 0.195 1.00 0.00 C ATOM 964 C ARG A 66 20.217 40.860 -1.292 1.00 0.00 C ATOM 965 O ARG A 66 21.146 41.531 -1.748 1.00 0.00 O ATOM 966 CB ARG A 66 20.319 42.241 0.779 1.00 0.00 C ATOM 967 CG ARG A 66 19.422 43.349 0.225 1.00 0.00 C ATOM 968 CD ARG A 66 19.888 44.701 0.767 1.00 0.00 C ATOM 969 NE ARG A 66 18.938 45.746 0.401 1.00 0.00 N ATOM 970 CZ ARG A 66 19.134 47.010 0.762 1.00 0.00 C ATOM 971 NH1 ARG A 66 20.189 47.334 1.456 1.00 0.00 N ATOM 972 NH2 ARG A 66 18.269 47.927 0.423 1.00 0.00 N ATOM 0 H ARG A 66 21.373 40.097 1.444 1.00 0.00 H new ATOM 0 HA ARG A 66 18.812 40.770 0.324 1.00 0.00 H new ATOM 0 HB2 ARG A 66 20.254 42.215 1.867 1.00 0.00 H new ATOM 0 HB3 ARG A 66 21.360 42.441 0.527 1.00 0.00 H new ATOM 0 HG2 ARG A 66 19.458 43.350 -0.864 1.00 0.00 H new ATOM 0 HG3 ARG A 66 18.385 43.169 0.510 1.00 0.00 H new ATOM 0 HD2 ARG A 66 19.986 44.652 1.852 1.00 0.00 H new ATOM 0 HD3 ARG A 66 20.874 44.940 0.369 1.00 0.00 H new ATOM 0 HE ARG A 66 18.109 45.502 -0.141 1.00 0.00 H new ATOM 0 HH11 ARG A 66 20.864 46.617 1.722 1.00 0.00 H new ATOM 0 HH12 ARG A 66 20.339 48.304 1.733 1.00 0.00 H new ATOM 0 HH21 ARG A 66 17.443 47.673 -0.119 1.00 0.00 H new ATOM 0 HH22 ARG A 66 18.419 48.897 0.700 1.00 0.00 H new ATOM 986 N ALA A 67 19.453 40.073 -2.051 1.00 0.00 N ATOM 987 CA ALA A 67 19.669 39.953 -3.495 1.00 0.00 C ATOM 988 C ALA A 67 18.513 40.580 -4.264 1.00 0.00 C ATOM 989 O ALA A 67 17.345 40.316 -3.977 1.00 0.00 O ATOM 990 CB ALA A 67 19.791 38.476 -3.879 1.00 0.00 C ATOM 0 H ALA A 67 18.681 39.511 -1.692 1.00 0.00 H new ATOM 0 HA ALA A 67 20.589 40.478 -3.751 1.00 0.00 H new ATOM 0 HB1 ALA A 67 19.952 38.392 -4.954 1.00 0.00 H new ATOM 0 HB2 ALA A 67 20.634 38.031 -3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 67 18.875 37.952 -3.607 1.00 0.00 H new ATOM 996 N ASP A 68 18.848 41.419 -5.238 1.00 0.00 N ATOM 997 CA ASP A 68 17.834 42.084 -6.042 1.00 0.00 C ATOM 998 C ASP A 68 17.033 41.068 -6.845 1.00 0.00 C ATOM 999 O ASP A 68 15.811 41.169 -6.953 1.00 0.00 O ATOM 1000 CB ASP A 68 18.494 43.084 -6.994 1.00 0.00 C ATOM 1001 CG ASP A 68 17.429 43.814 -7.805 1.00 0.00 C ATOM 1002 OD1 ASP A 68 16.273 43.442 -7.696 1.00 0.00 O ATOM 1003 OD2 ASP A 68 17.786 44.733 -8.523 1.00 0.00 O ATOM 0 H ASP A 68 19.809 41.653 -5.488 1.00 0.00 H new ATOM 0 HA ASP A 68 17.157 42.613 -5.371 1.00 0.00 H new ATOM 0 HB2 ASP A 68 19.086 43.802 -6.427 1.00 0.00 H new ATOM 0 HB3 ASP A 68 19.179 42.564 -7.663 1.00 0.00 H new ATOM 1008 N ALA A 69 17.730 40.082 -7.406 1.00 0.00 N ATOM 1009 CA ALA A 69 17.076 39.050 -8.198 1.00 0.00 C ATOM 1010 C ALA A 69 18.081 37.978 -8.613 1.00 0.00 C ATOM 1011 O ALA A 69 18.524 37.178 -7.789 1.00 0.00 O ATOM 1012 CB ALA A 69 16.438 39.673 -9.444 1.00 0.00 C ATOM 0 H ALA A 69 18.742 39.978 -7.326 1.00 0.00 H new ATOM 0 HA ALA A 69 16.300 38.586 -7.590 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.951 38.895 -10.031 1.00 0.00 H new ATOM 0 HB2 ALA A 69 15.699 40.416 -9.142 1.00 0.00 H new ATOM 0 HB3 ALA A 69 17.209 40.153 -10.046 1.00 0.00 H new ATOM 1018 N LEU A 70 18.435 37.967 -9.896 1.00 0.00 N ATOM 1019 CA LEU A 70 19.384 36.986 -10.409 1.00 0.00 C ATOM 1020 C LEU A 70 20.748 37.164 -9.751 1.00 0.00 C ATOM 1021 O LEU A 70 21.413 36.190 -9.396 1.00 0.00 O ATOM 1022 CB LEU A 70 19.511 37.138 -11.933 1.00 0.00 C ATOM 1023 CG LEU A 70 18.335 36.438 -12.622 1.00 0.00 C ATOM 1024 CD1 LEU A 70 17.021 37.080 -12.168 1.00 0.00 C ATOM 1025 CD2 LEU A 70 18.477 36.584 -14.138 1.00 0.00 C ATOM 0 H LEU A 70 18.081 38.622 -10.594 1.00 0.00 H new ATOM 0 HA LEU A 70 19.017 35.987 -10.175 1.00 0.00 H new ATOM 0 HB2 LEU A 70 19.527 38.194 -12.203 1.00 0.00 H new ATOM 0 HB3 LEU A 70 20.453 36.708 -12.274 1.00 0.00 H new ATOM 0 HG LEU A 70 18.333 35.381 -12.356 1.00 0.00 H new ATOM 0 HD11 LEU A 70 16.184 36.582 -12.658 1.00 0.00 H new ATOM 0 HD12 LEU A 70 16.921 36.979 -11.087 1.00 0.00 H new ATOM 0 HD13 LEU A 70 17.021 38.137 -12.435 1.00 0.00 H new ATOM 0 HD21 LEU A 70 17.642 36.087 -14.631 1.00 0.00 H new ATOM 0 HD22 LEU A 70 18.478 37.641 -14.403 1.00 0.00 H new ATOM 0 HD23 LEU A 70 19.413 36.128 -14.461 1.00 0.00 H new ATOM 1037 N GLN A 71 21.154 38.414 -9.593 1.00 0.00 N ATOM 1038 CA GLN A 71 22.439 38.715 -8.980 1.00 0.00 C ATOM 1039 C GLN A 71 22.485 38.193 -7.548 1.00 0.00 C ATOM 1040 O GLN A 71 21.594 38.474 -6.747 1.00 0.00 O ATOM 1041 CB GLN A 71 22.689 40.225 -8.986 1.00 0.00 C ATOM 1042 CG GLN A 71 22.982 40.693 -10.413 1.00 0.00 C ATOM 1043 CD GLN A 71 23.183 42.204 -10.436 1.00 0.00 C ATOM 1044 OE1 GLN A 71 22.837 42.917 -9.399 1.00 0.00 O flip ATOM 1045 NE2 GLN A 71 23.670 42.751 -11.427 1.00 0.00 N flip ATOM 0 H GLN A 71 20.616 39.232 -9.879 1.00 0.00 H new ATOM 0 HA GLN A 71 23.218 38.221 -9.561 1.00 0.00 H new ATOM 0 HB2 GLN A 71 21.818 40.749 -8.593 1.00 0.00 H new ATOM 0 HB3 GLN A 71 23.528 40.467 -8.334 1.00 0.00 H new ATOM 0 HG2 GLN A 71 23.874 40.194 -10.792 1.00 0.00 H new ATOM 0 HG3 GLN A 71 22.158 40.418 -11.071 1.00 0.00 H new ATOM 0 HE21 GLN A 71 23.940 42.193 -12.237 1.00 0.00 H new ATOM 0 HE22 GLN A 71 23.803 43.762 -11.438 1.00 0.00 H new ATOM 1054 N ALA A 72 23.529 37.434 -7.234 1.00 0.00 N ATOM 1055 CA ALA A 72 23.679 36.878 -5.895 1.00 0.00 C ATOM 1056 C ALA A 72 22.368 36.261 -5.421 1.00 0.00 C ATOM 1057 O ALA A 72 22.005 36.373 -4.250 1.00 0.00 O ATOM 1058 CB ALA A 72 24.111 37.975 -4.920 1.00 0.00 C ATOM 0 H ALA A 72 24.278 37.191 -7.882 1.00 0.00 H new ATOM 0 HA ALA A 72 24.442 36.100 -5.928 1.00 0.00 H new ATOM 0 HB1 ALA A 72 24.221 37.552 -3.922 1.00 0.00 H new ATOM 0 HB2 ALA A 72 25.064 38.395 -5.243 1.00 0.00 H new ATOM 0 HB3 ALA A 72 23.357 38.761 -4.900 1.00 0.00 H new ATOM 1064 N GLY A 73 21.660 35.608 -6.339 1.00 0.00 N ATOM 1065 CA GLY A 73 20.389 34.978 -6.003 1.00 0.00 C ATOM 1066 C GLY A 73 20.611 33.651 -5.287 1.00 0.00 C ATOM 1067 O GLY A 73 21.254 33.600 -4.239 1.00 0.00 O ATOM 0 H GLY A 73 21.943 35.502 -7.313 1.00 0.00 H new ATOM 0 HA2 GLY A 73 19.805 35.645 -5.369 1.00 0.00 H new ATOM 0 HA3 GLY A 73 19.809 34.813 -6.911 1.00 0.00 H new ATOM 1071 N ALA A 74 20.077 32.578 -5.861 1.00 0.00 N ATOM 1072 CA ALA A 74 20.221 31.254 -5.269 1.00 0.00 C ATOM 1073 C ALA A 74 21.616 30.695 -5.541 1.00 0.00 C ATOM 1074 O ALA A 74 22.621 31.314 -5.192 1.00 0.00 O ATOM 1075 CB ALA A 74 19.161 30.309 -5.841 1.00 0.00 C ATOM 0 H ALA A 74 19.544 32.599 -6.730 1.00 0.00 H new ATOM 0 HA ALA A 74 20.083 31.338 -4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 74 19.275 29.321 -5.394 1.00 0.00 H new ATOM 0 HB2 ALA A 74 18.168 30.697 -5.615 1.00 0.00 H new ATOM 0 HB3 ALA A 74 19.285 30.235 -6.921 1.00 0.00 H new ATOM 1081 N SER A 75 21.670 29.521 -6.164 1.00 0.00 N ATOM 1082 CA SER A 75 22.942 28.890 -6.476 1.00 0.00 C ATOM 1083 C SER A 75 23.581 29.536 -7.697 1.00 0.00 C ATOM 1084 O SER A 75 24.643 30.148 -7.598 1.00 0.00 O ATOM 1085 CB SER A 75 22.735 27.399 -6.739 1.00 0.00 C ATOM 1086 OG SER A 75 21.694 27.230 -7.694 1.00 0.00 O ATOM 0 H SER A 75 20.850 28.992 -6.460 1.00 0.00 H new ATOM 0 HA SER A 75 23.606 29.022 -5.622 1.00 0.00 H new ATOM 0 HB2 SER A 75 23.658 26.951 -7.107 1.00 0.00 H new ATOM 0 HB3 SER A 75 22.480 26.886 -5.811 1.00 0.00 H new ATOM 0 HG SER A 75 21.047 26.574 -7.360 1.00 0.00 H new ATOM 1092 N GLN A 76 22.927 29.389 -8.848 1.00 0.00 N ATOM 1093 CA GLN A 76 23.437 29.957 -10.093 1.00 0.00 C ATOM 1094 C GLN A 76 24.761 29.300 -10.478 1.00 0.00 C ATOM 1095 O GLN A 76 25.272 29.503 -11.579 1.00 0.00 O ATOM 1096 CB GLN A 76 23.638 31.469 -9.935 1.00 0.00 C ATOM 1097 CG GLN A 76 23.783 32.120 -11.312 1.00 0.00 C ATOM 1098 CD GLN A 76 23.877 33.633 -11.161 1.00 0.00 C ATOM 1099 OE1 GLN A 76 23.899 34.150 -10.043 1.00 0.00 O ATOM 1100 NE2 GLN A 76 23.936 34.380 -12.229 1.00 0.00 N ATOM 0 H GLN A 76 22.046 28.883 -8.944 1.00 0.00 H new ATOM 0 HA GLN A 76 22.709 29.770 -10.882 1.00 0.00 H new ATOM 0 HB2 GLN A 76 22.791 31.904 -9.404 1.00 0.00 H new ATOM 0 HB3 GLN A 76 24.526 31.666 -9.334 1.00 0.00 H new ATOM 0 HG2 GLN A 76 24.674 31.739 -11.812 1.00 0.00 H new ATOM 0 HG3 GLN A 76 22.930 31.860 -11.939 1.00 0.00 H new ATOM 0 HE21 GLN A 76 23.918 33.950 -13.154 1.00 0.00 H new ATOM 0 HE22 GLN A 76 24.000 35.394 -12.139 1.00 0.00 H new ATOM 1109 N PHE A 77 25.314 28.507 -9.563 1.00 0.00 N ATOM 1110 CA PHE A 77 26.576 27.829 -9.820 1.00 0.00 C ATOM 1111 C PHE A 77 26.352 26.604 -10.696 1.00 0.00 C ATOM 1112 O PHE A 77 25.403 26.556 -11.482 1.00 0.00 O ATOM 1113 CB PHE A 77 27.216 27.402 -8.497 1.00 0.00 C ATOM 1114 CG PHE A 77 27.306 28.596 -7.573 1.00 0.00 C ATOM 1115 CD1 PHE A 77 28.141 29.671 -7.901 1.00 0.00 C ATOM 1116 CD2 PHE A 77 26.556 28.628 -6.390 1.00 0.00 C ATOM 1117 CE1 PHE A 77 28.226 30.778 -7.045 1.00 0.00 C ATOM 1118 CE2 PHE A 77 26.641 29.734 -5.536 1.00 0.00 C ATOM 1119 CZ PHE A 77 27.477 30.808 -5.864 1.00 0.00 C ATOM 0 H PHE A 77 24.910 28.321 -8.645 1.00 0.00 H new ATOM 0 HA PHE A 77 27.241 28.518 -10.340 1.00 0.00 H new ATOM 0 HB2 PHE A 77 26.625 26.613 -8.033 1.00 0.00 H new ATOM 0 HB3 PHE A 77 28.210 26.992 -8.677 1.00 0.00 H new ATOM 0 HD1 PHE A 77 28.719 29.647 -8.813 1.00 0.00 H new ATOM 0 HD2 PHE A 77 25.912 27.799 -6.137 1.00 0.00 H new ATOM 0 HE1 PHE A 77 28.870 31.608 -7.297 1.00 0.00 H new ATOM 0 HE2 PHE A 77 26.062 29.759 -4.625 1.00 0.00 H new ATOM 0 HZ PHE A 77 27.544 31.661 -5.204 1.00 0.00 H new ATOM 1129 N GLU A 78 27.229 25.614 -10.559 1.00 0.00 N ATOM 1130 CA GLU A 78 27.123 24.386 -11.344 1.00 0.00 C ATOM 1131 C GLU A 78 26.327 23.328 -10.587 1.00 0.00 C ATOM 1132 O GLU A 78 25.913 22.320 -11.160 1.00 0.00 O ATOM 1133 CB GLU A 78 28.520 23.846 -11.655 1.00 0.00 C ATOM 1134 CG GLU A 78 29.243 24.811 -12.597 1.00 0.00 C ATOM 1135 CD GLU A 78 30.663 24.321 -12.857 1.00 0.00 C ATOM 1136 OE1 GLU A 78 31.021 23.293 -12.310 1.00 0.00 O ATOM 1137 OE2 GLU A 78 31.370 24.982 -13.598 1.00 0.00 O ATOM 0 H GLU A 78 28.019 25.637 -9.914 1.00 0.00 H new ATOM 0 HA GLU A 78 26.603 24.617 -12.274 1.00 0.00 H new ATOM 0 HB2 GLU A 78 29.089 23.727 -10.733 1.00 0.00 H new ATOM 0 HB3 GLU A 78 28.446 22.860 -12.114 1.00 0.00 H new ATOM 0 HG2 GLU A 78 28.699 24.890 -13.538 1.00 0.00 H new ATOM 0 HG3 GLU A 78 29.268 25.809 -12.159 1.00 0.00 H new ATOM 1144 N THR A 79 26.114 23.565 -9.296 1.00 0.00 N ATOM 1145 CA THR A 79 25.365 22.625 -8.472 1.00 0.00 C ATOM 1146 C THR A 79 23.948 22.451 -9.010 1.00 0.00 C ATOM 1147 O THR A 79 23.434 21.335 -9.082 1.00 0.00 O ATOM 1148 CB THR A 79 25.303 23.133 -7.028 1.00 0.00 C ATOM 1149 OG1 THR A 79 24.672 22.155 -6.211 1.00 0.00 O ATOM 1150 CG2 THR A 79 24.507 24.438 -6.972 1.00 0.00 C ATOM 0 H THR A 79 26.447 24.393 -8.802 1.00 0.00 H new ATOM 0 HA THR A 79 25.874 21.661 -8.499 1.00 0.00 H new ATOM 0 HB THR A 79 26.315 23.315 -6.665 1.00 0.00 H new ATOM 0 HG1 THR A 79 24.633 22.477 -5.286 1.00 0.00 H new ATOM 0 HG21 THR A 79 24.466 24.795 -5.943 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.993 25.187 -7.597 1.00 0.00 H new ATOM 0 HG23 THR A 79 23.495 24.263 -7.336 1.00 0.00 H new ATOM 1158 N SER A 80 23.320 23.561 -9.386 1.00 0.00 N ATOM 1159 CA SER A 80 21.961 23.517 -9.913 1.00 0.00 C ATOM 1160 C SER A 80 21.907 22.673 -11.183 1.00 0.00 C ATOM 1161 O SER A 80 20.937 21.953 -11.421 1.00 0.00 O ATOM 1162 CB SER A 80 21.474 24.933 -10.221 1.00 0.00 C ATOM 1163 OG SER A 80 22.284 25.496 -11.244 1.00 0.00 O ATOM 0 H SER A 80 23.727 24.495 -9.336 1.00 0.00 H new ATOM 0 HA SER A 80 21.314 23.066 -9.161 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.431 24.910 -10.538 1.00 0.00 H new ATOM 0 HB3 SER A 80 21.521 25.549 -9.323 1.00 0.00 H new ATOM 0 HG SER A 80 21.973 26.403 -11.445 1.00 0.00 H new ATOM 1169 N ALA A 81 22.954 22.766 -11.996 1.00 0.00 N ATOM 1170 CA ALA A 81 23.018 22.008 -13.239 1.00 0.00 C ATOM 1171 C ALA A 81 23.000 20.508 -12.955 1.00 0.00 C ATOM 1172 O ALA A 81 22.646 19.707 -13.819 1.00 0.00 O ATOM 1173 CB ALA A 81 24.287 22.371 -14.012 1.00 0.00 C ATOM 0 H ALA A 81 23.766 23.356 -11.817 1.00 0.00 H new ATOM 0 HA ALA A 81 22.145 22.262 -13.841 1.00 0.00 H new ATOM 0 HB1 ALA A 81 24.325 21.799 -14.939 1.00 0.00 H new ATOM 0 HB2 ALA A 81 24.280 23.436 -14.243 1.00 0.00 H new ATOM 0 HB3 ALA A 81 25.162 22.137 -13.405 1.00 0.00 H new ATOM 1179 N ALA A 82 23.387 20.140 -11.738 1.00 0.00 N ATOM 1180 CA ALA A 82 23.415 18.734 -11.350 1.00 0.00 C ATOM 1181 C ALA A 82 22.013 18.134 -11.402 1.00 0.00 C ATOM 1182 O ALA A 82 21.839 16.969 -11.761 1.00 0.00 O ATOM 1183 CB ALA A 82 23.978 18.593 -9.934 1.00 0.00 C ATOM 0 H ALA A 82 23.683 20.789 -11.009 1.00 0.00 H new ATOM 0 HA ALA A 82 24.054 18.198 -12.051 1.00 0.00 H new ATOM 0 HB1 ALA A 82 23.995 17.540 -9.652 1.00 0.00 H new ATOM 0 HB2 ALA A 82 24.991 18.993 -9.904 1.00 0.00 H new ATOM 0 HB3 ALA A 82 23.349 19.145 -9.236 1.00 0.00 H new ATOM 1189 N LYS A 83 21.016 18.935 -11.040 1.00 0.00 N ATOM 1190 CA LYS A 83 19.638 18.470 -11.047 1.00 0.00 C ATOM 1191 C LYS A 83 19.218 18.071 -12.455 1.00 0.00 C ATOM 1192 O LYS A 83 18.557 17.052 -12.652 1.00 0.00 O ATOM 1193 CB LYS A 83 18.710 19.574 -10.532 1.00 0.00 C ATOM 1194 CG LYS A 83 18.970 19.806 -9.043 1.00 0.00 C ATOM 1195 CD LYS A 83 18.050 20.913 -8.529 1.00 0.00 C ATOM 1196 CE LYS A 83 18.243 21.078 -7.020 1.00 0.00 C ATOM 1197 NZ LYS A 83 19.652 21.476 -6.740 1.00 0.00 N ATOM 0 H LYS A 83 21.137 19.902 -10.740 1.00 0.00 H new ATOM 0 HA LYS A 83 19.565 17.600 -10.395 1.00 0.00 H new ATOM 0 HB2 LYS A 83 18.879 20.495 -11.089 1.00 0.00 H new ATOM 0 HB3 LYS A 83 17.669 19.292 -10.691 1.00 0.00 H new ATOM 0 HG2 LYS A 83 18.796 18.886 -8.485 1.00 0.00 H new ATOM 0 HG3 LYS A 83 20.012 20.082 -8.884 1.00 0.00 H new ATOM 0 HD2 LYS A 83 18.271 21.850 -9.039 1.00 0.00 H new ATOM 0 HD3 LYS A 83 17.011 20.668 -8.749 1.00 0.00 H new ATOM 0 HE2 LYS A 83 17.557 21.833 -6.635 1.00 0.00 H new ATOM 0 HE3 LYS A 83 18.009 20.144 -6.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 19.718 21.864 -5.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 20.271 20.644 -6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 19.951 22.199 -7.425 1.00 0.00 H new ATOM 1211 N LEU A 84 19.606 18.881 -13.431 1.00 0.00 N ATOM 1212 CA LEU A 84 19.258 18.597 -14.817 1.00 0.00 C ATOM 1213 C LEU A 84 19.896 17.289 -15.270 1.00 0.00 C ATOM 1214 O LEU A 84 19.261 16.478 -15.945 1.00 0.00 O ATOM 1215 CB LEU A 84 19.730 19.740 -15.727 1.00 0.00 C ATOM 1216 CG LEU A 84 19.383 19.431 -17.194 1.00 0.00 C ATOM 1217 CD1 LEU A 84 17.868 19.217 -17.350 1.00 0.00 C ATOM 1218 CD2 LEU A 84 19.834 20.603 -18.076 1.00 0.00 C ATOM 0 H LEU A 84 20.155 19.729 -13.292 1.00 0.00 H new ATOM 0 HA LEU A 84 18.174 18.506 -14.886 1.00 0.00 H new ATOM 0 HB2 LEU A 84 19.258 20.674 -15.423 1.00 0.00 H new ATOM 0 HB3 LEU A 84 20.806 19.877 -15.622 1.00 0.00 H new ATOM 0 HG LEU A 84 19.897 18.520 -17.500 1.00 0.00 H new ATOM 0 HD11 LEU A 84 17.637 18.999 -18.393 1.00 0.00 H new ATOM 0 HD12 LEU A 84 17.553 18.381 -16.726 1.00 0.00 H new ATOM 0 HD13 LEU A 84 17.339 20.119 -17.042 1.00 0.00 H new ATOM 0 HD21 LEU A 84 19.591 20.390 -19.117 1.00 0.00 H new ATOM 0 HD22 LEU A 84 19.321 21.512 -17.763 1.00 0.00 H new ATOM 0 HD23 LEU A 84 20.911 20.740 -17.976 1.00 0.00 H new ATOM 1230 N LYS A 85 21.156 17.091 -14.900 1.00 0.00 N ATOM 1231 CA LYS A 85 21.871 15.884 -15.283 1.00 0.00 C ATOM 1232 C LYS A 85 21.196 14.654 -14.687 1.00 0.00 C ATOM 1233 O LYS A 85 21.029 13.639 -15.361 1.00 0.00 O ATOM 1234 CB LYS A 85 23.319 15.963 -14.792 1.00 0.00 C ATOM 1235 CG LYS A 85 24.057 17.071 -15.548 1.00 0.00 C ATOM 1236 CD LYS A 85 25.491 17.177 -15.027 1.00 0.00 C ATOM 1237 CE LYS A 85 26.234 18.268 -15.800 1.00 0.00 C ATOM 1238 NZ LYS A 85 27.628 18.382 -15.283 1.00 0.00 N ATOM 0 H LYS A 85 21.699 17.747 -14.339 1.00 0.00 H new ATOM 0 HA LYS A 85 21.858 15.801 -16.370 1.00 0.00 H new ATOM 0 HB2 LYS A 85 23.340 16.163 -13.721 1.00 0.00 H new ATOM 0 HB3 LYS A 85 23.819 15.007 -14.948 1.00 0.00 H new ATOM 0 HG2 LYS A 85 24.062 16.856 -16.616 1.00 0.00 H new ATOM 0 HG3 LYS A 85 23.540 18.022 -15.417 1.00 0.00 H new ATOM 0 HD2 LYS A 85 25.486 17.410 -13.962 1.00 0.00 H new ATOM 0 HD3 LYS A 85 26.003 16.222 -15.142 1.00 0.00 H new ATOM 0 HE2 LYS A 85 26.248 18.030 -16.864 1.00 0.00 H new ATOM 0 HE3 LYS A 85 25.716 19.221 -15.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 28.134 19.124 -15.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 27.605 18.628 -14.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 28.120 17.474 -15.407 1.00 0.00 H new ATOM 1252 N ARG A 86 20.812 14.755 -13.420 1.00 0.00 N ATOM 1253 CA ARG A 86 20.157 13.643 -12.742 1.00 0.00 C ATOM 1254 C ARG A 86 18.822 13.321 -13.399 1.00 0.00 C ATOM 1255 O ARG A 86 18.488 12.158 -13.618 1.00 0.00 O ATOM 1256 CB ARG A 86 19.932 13.993 -11.270 1.00 0.00 C ATOM 1257 CG ARG A 86 21.272 14.004 -10.532 1.00 0.00 C ATOM 1258 CD ARG A 86 21.058 14.477 -9.094 1.00 0.00 C ATOM 1259 NE ARG A 86 20.171 13.558 -8.385 1.00 0.00 N ATOM 1260 CZ ARG A 86 20.642 12.482 -7.759 1.00 0.00 C ATOM 1261 NH1 ARG A 86 21.922 12.229 -7.769 1.00 0.00 N ATOM 1262 NH2 ARG A 86 19.823 11.679 -7.136 1.00 0.00 N ATOM 0 H ARG A 86 20.941 15.588 -12.845 1.00 0.00 H new ATOM 0 HA ARG A 86 20.802 12.767 -12.816 1.00 0.00 H new ATOM 0 HB2 ARG A 86 19.452 14.968 -11.187 1.00 0.00 H new ATOM 0 HB3 ARG A 86 19.260 13.267 -10.812 1.00 0.00 H new ATOM 0 HG2 ARG A 86 21.710 13.006 -10.536 1.00 0.00 H new ATOM 0 HG3 ARG A 86 21.975 14.663 -11.042 1.00 0.00 H new ATOM 0 HD2 ARG A 86 22.016 14.539 -8.578 1.00 0.00 H new ATOM 0 HD3 ARG A 86 20.630 15.479 -9.094 1.00 0.00 H new ATOM 0 HE ARG A 86 19.168 13.745 -8.369 1.00 0.00 H new ATOM 0 HH11 ARG A 86 22.562 12.856 -8.257 1.00 0.00 H new ATOM 0 HH12 ARG A 86 22.283 11.404 -7.289 1.00 0.00 H new ATOM 0 HH21 ARG A 86 18.822 11.876 -7.129 1.00 0.00 H new ATOM 0 HH22 ARG A 86 20.184 10.854 -6.656 1.00 0.00 H new ATOM 1276 N LYS A 87 18.068 14.363 -13.713 1.00 0.00 N ATOM 1277 CA LYS A 87 16.765 14.187 -14.349 1.00 0.00 C ATOM 1278 C LYS A 87 16.924 13.568 -15.734 1.00 0.00 C ATOM 1279 O LYS A 87 16.227 12.615 -16.082 1.00 0.00 O ATOM 1280 CB LYS A 87 16.051 15.536 -14.470 1.00 0.00 C ATOM 1281 CG LYS A 87 14.643 15.322 -15.034 1.00 0.00 C ATOM 1282 CD LYS A 87 13.904 16.661 -15.085 1.00 0.00 C ATOM 1283 CE LYS A 87 12.514 16.453 -15.689 1.00 0.00 C ATOM 1284 NZ LYS A 87 11.632 15.787 -14.691 1.00 0.00 N ATOM 0 H LYS A 87 18.330 15.334 -13.541 1.00 0.00 H new ATOM 0 HA LYS A 87 16.169 13.517 -13.729 1.00 0.00 H new ATOM 0 HB2 LYS A 87 15.994 16.018 -13.494 1.00 0.00 H new ATOM 0 HB3 LYS A 87 16.617 16.202 -15.121 1.00 0.00 H new ATOM 0 HG2 LYS A 87 14.702 14.889 -16.033 1.00 0.00 H new ATOM 0 HG3 LYS A 87 14.094 14.615 -14.412 1.00 0.00 H new ATOM 0 HD2 LYS A 87 13.818 17.079 -14.082 1.00 0.00 H new ATOM 0 HD3 LYS A 87 14.468 17.378 -15.682 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.087 17.412 -15.984 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.585 15.844 -16.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.650 15.798 -15.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.941 14.803 -14.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.688 16.294 -13.785 1.00 0.00 H new ATOM 1298 N TYR A 88 17.845 14.116 -16.519 1.00 0.00 N ATOM 1299 CA TYR A 88 18.086 13.611 -17.866 1.00 0.00 C ATOM 1300 C TYR A 88 18.559 12.163 -17.819 1.00 0.00 C ATOM 1301 O TYR A 88 18.064 11.313 -18.559 1.00 0.00 O ATOM 1302 CB TYR A 88 19.138 14.473 -18.566 1.00 0.00 C ATOM 1303 CG TYR A 88 19.448 13.887 -19.924 1.00 0.00 C ATOM 1304 CD1 TYR A 88 18.661 14.231 -21.031 1.00 0.00 C ATOM 1305 CD2 TYR A 88 20.520 12.999 -20.076 1.00 0.00 C ATOM 1306 CE1 TYR A 88 18.947 13.685 -22.289 1.00 0.00 C ATOM 1307 CE2 TYR A 88 20.806 12.455 -21.332 1.00 0.00 C ATOM 1308 CZ TYR A 88 20.019 12.799 -22.439 1.00 0.00 C ATOM 1309 OH TYR A 88 20.302 12.261 -23.679 1.00 0.00 O ATOM 0 H TYR A 88 18.433 14.904 -16.249 1.00 0.00 H new ATOM 0 HA TYR A 88 17.151 13.656 -18.424 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.773 15.495 -18.674 1.00 0.00 H new ATOM 0 HB3 TYR A 88 20.045 14.520 -17.963 1.00 0.00 H new ATOM 0 HD1 TYR A 88 17.835 14.916 -20.915 1.00 0.00 H new ATOM 0 HD2 TYR A 88 21.126 12.734 -19.222 1.00 0.00 H new ATOM 0 HE1 TYR A 88 18.340 13.948 -23.143 1.00 0.00 H new ATOM 0 HE2 TYR A 88 21.633 11.770 -21.449 1.00 0.00 H new ATOM 0 HH TYR A 88 21.078 11.667 -23.608 1.00 0.00 H new ATOM 1319 N TRP A 89 19.524 11.886 -16.943 1.00 0.00 N ATOM 1320 CA TRP A 89 20.065 10.535 -16.806 1.00 0.00 C ATOM 1321 C TRP A 89 19.338 9.779 -15.701 1.00 0.00 C ATOM 1322 O TRP A 89 19.375 10.174 -14.536 1.00 0.00 O ATOM 1323 CB TRP A 89 21.558 10.602 -16.484 1.00 0.00 C ATOM 1324 CG TRP A 89 22.117 9.217 -16.425 1.00 0.00 C ATOM 1325 CD1 TRP A 89 22.539 8.596 -15.301 1.00 0.00 C ATOM 1326 CD2 TRP A 89 22.317 8.272 -17.516 1.00 0.00 C ATOM 1327 NE1 TRP A 89 22.987 7.331 -15.631 1.00 0.00 N ATOM 1328 CE2 TRP A 89 22.871 7.084 -16.984 1.00 0.00 C ATOM 1329 CE3 TRP A 89 22.074 8.330 -18.901 1.00 0.00 C ATOM 1330 CZ2 TRP A 89 23.175 5.991 -17.798 1.00 0.00 C ATOM 1331 CZ3 TRP A 89 22.378 7.232 -19.722 1.00 0.00 C ATOM 1332 CH2 TRP A 89 22.927 6.066 -19.173 1.00 0.00 C ATOM 0 H TRP A 89 19.945 12.575 -16.321 1.00 0.00 H new ATOM 0 HA TRP A 89 19.920 10.007 -17.749 1.00 0.00 H new ATOM 0 HB2 TRP A 89 22.079 11.184 -17.244 1.00 0.00 H new ATOM 0 HB3 TRP A 89 21.713 11.109 -15.532 1.00 0.00 H new ATOM 0 HD1 TRP A 89 22.528 9.019 -14.307 1.00 0.00 H new ATOM 0 HE1 TRP A 89 23.358 6.661 -14.957 1.00 0.00 H new ATOM 0 HE3 TRP A 89 21.651 9.224 -19.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 23.598 5.095 -17.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 22.187 7.287 -20.784 1.00 0.00 H new ATOM 0 HH2 TRP A 89 23.159 5.226 -19.811 1.00 0.00 H new ATOM 1343 N TRP A 90 18.677 8.686 -16.074 1.00 0.00 N ATOM 1344 CA TRP A 90 17.941 7.877 -15.107 1.00 0.00 C ATOM 1345 C TRP A 90 18.885 6.909 -14.399 1.00 0.00 C ATOM 1346 O TRP A 90 19.705 6.248 -15.036 1.00 0.00 O ATOM 1347 CB TRP A 90 16.824 7.095 -15.821 1.00 0.00 C ATOM 1348 CG TRP A 90 17.289 6.699 -17.186 1.00 0.00 C ATOM 1349 CD1 TRP A 90 18.130 5.674 -17.454 1.00 0.00 C ATOM 1350 CD2 TRP A 90 16.954 7.301 -18.469 1.00 0.00 C ATOM 1351 NE1 TRP A 90 18.331 5.608 -18.822 1.00 0.00 N ATOM 1352 CE2 TRP A 90 17.627 6.589 -19.491 1.00 0.00 C ATOM 1353 CE3 TRP A 90 16.138 8.385 -18.842 1.00 0.00 C ATOM 1354 CZ2 TRP A 90 17.495 6.940 -20.834 1.00 0.00 C ATOM 1355 CZ3 TRP A 90 16.005 8.740 -20.194 1.00 0.00 C ATOM 1356 CH2 TRP A 90 16.681 8.019 -21.188 1.00 0.00 C ATOM 0 H TRP A 90 18.636 8.342 -17.033 1.00 0.00 H new ATOM 0 HA TRP A 90 17.495 8.537 -14.363 1.00 0.00 H new ATOM 0 HB2 TRP A 90 16.559 6.209 -15.244 1.00 0.00 H new ATOM 0 HB3 TRP A 90 15.926 7.708 -15.894 1.00 0.00 H new ATOM 0 HD1 TRP A 90 18.572 5.015 -16.721 1.00 0.00 H new ATOM 0 HE1 TRP A 90 18.927 4.918 -19.280 1.00 0.00 H new ATOM 0 HE3 TRP A 90 15.611 8.947 -18.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 18.019 6.381 -21.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 15.377 9.574 -20.470 1.00 0.00 H new ATOM 0 HH2 TRP A 90 16.573 8.297 -22.226 1.00 0.00 H new ATOM 1367 N LYS A 91 18.764 6.835 -13.079 1.00 0.00 N ATOM 1368 CA LYS A 91 19.611 5.947 -12.294 1.00 0.00 C ATOM 1369 C LYS A 91 19.086 4.516 -12.367 1.00 0.00 C ATOM 1370 O LYS A 91 17.903 4.266 -12.140 1.00 0.00 O ATOM 1371 CB LYS A 91 19.637 6.405 -10.837 1.00 0.00 C ATOM 1372 CG LYS A 91 20.661 5.575 -10.059 1.00 0.00 C ATOM 1373 CD LYS A 91 20.771 6.110 -8.631 1.00 0.00 C ATOM 1374 CE LYS A 91 21.817 5.299 -7.861 1.00 0.00 C ATOM 1375 NZ LYS A 91 21.309 3.917 -7.641 1.00 0.00 N ATOM 0 H LYS A 91 18.093 7.375 -12.533 1.00 0.00 H new ATOM 0 HA LYS A 91 20.621 5.979 -12.702 1.00 0.00 H new ATOM 0 HB2 LYS A 91 19.893 7.463 -10.782 1.00 0.00 H new ATOM 0 HB3 LYS A 91 18.648 6.293 -10.392 1.00 0.00 H new ATOM 0 HG2 LYS A 91 20.360 4.527 -10.044 1.00 0.00 H new ATOM 0 HG3 LYS A 91 21.632 5.621 -10.552 1.00 0.00 H new ATOM 0 HD2 LYS A 91 21.051 7.163 -8.646 1.00 0.00 H new ATOM 0 HD3 LYS A 91 19.804 6.045 -8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 91 22.753 5.270 -8.419 1.00 0.00 H new ATOM 0 HE3 LYS A 91 22.031 5.776 -6.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 21.989 3.386 -7.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 20.392 3.958 -7.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 21.191 3.441 -8.558 1.00 0.00 H new ATOM 1389 N ASN A 92 19.977 3.578 -12.687 1.00 0.00 N ATOM 1390 CA ASN A 92 19.599 2.166 -12.792 1.00 0.00 C ATOM 1391 C ASN A 92 20.684 1.277 -12.197 1.00 0.00 C ATOM 1392 O ASN A 92 20.839 0.121 -12.589 1.00 0.00 O ATOM 1393 CB ASN A 92 19.375 1.793 -14.258 1.00 0.00 C ATOM 1394 CG ASN A 92 18.148 2.520 -14.799 1.00 0.00 C ATOM 1395 OD1 ASN A 92 17.156 2.805 -13.997 1.00 0.00 O flip ATOM 1396 ND2 ASN A 92 18.087 2.835 -15.987 1.00 0.00 N flip ATOM 0 H ASN A 92 20.961 3.767 -12.877 1.00 0.00 H new ATOM 0 HA ASN A 92 18.675 2.013 -12.235 1.00 0.00 H new ATOM 0 HB2 ASN A 92 20.253 2.056 -14.847 1.00 0.00 H new ATOM 0 HB3 ASN A 92 19.240 0.715 -14.351 1.00 0.00 H new ATOM 0 HD21 ASN A 92 18.860 2.613 -16.614 1.00 0.00 H new ATOM 0 HD22 ASN A 92 17.263 3.318 -16.345 1.00 0.00 H new ATOM 1403 N LEU A 93 21.430 1.826 -11.249 1.00 0.00 N ATOM 1404 CA LEU A 93 22.500 1.073 -10.607 1.00 0.00 C ATOM 1405 C LEU A 93 21.931 -0.126 -9.857 1.00 0.00 C ATOM 1406 O LEU A 93 22.567 -1.175 -9.772 1.00 0.00 O ATOM 1407 CB LEU A 93 23.275 1.972 -9.636 1.00 0.00 C ATOM 1408 CG LEU A 93 24.468 1.201 -9.044 1.00 0.00 C ATOM 1409 CD1 LEU A 93 25.471 0.823 -10.153 1.00 0.00 C ATOM 1410 CD2 LEU A 93 25.162 2.080 -7.994 1.00 0.00 C ATOM 0 H LEU A 93 21.317 2.781 -10.909 1.00 0.00 H new ATOM 0 HA LEU A 93 23.180 0.716 -11.380 1.00 0.00 H new ATOM 0 HB2 LEU A 93 23.629 2.863 -10.155 1.00 0.00 H new ATOM 0 HB3 LEU A 93 22.617 2.310 -8.836 1.00 0.00 H new ATOM 0 HG LEU A 93 24.106 0.284 -8.579 1.00 0.00 H new ATOM 0 HD11 LEU A 93 26.308 0.278 -9.716 1.00 0.00 H new ATOM 0 HD12 LEU A 93 24.976 0.194 -10.893 1.00 0.00 H new ATOM 0 HD13 LEU A 93 25.839 1.729 -10.635 1.00 0.00 H new ATOM 0 HD21 LEU A 93 26.009 1.540 -7.570 1.00 0.00 H new ATOM 0 HD22 LEU A 93 25.515 2.998 -8.464 1.00 0.00 H new ATOM 0 HD23 LEU A 93 24.455 2.327 -7.202 1.00 0.00 H new ATOM 1422 N LYS A 94 20.738 0.041 -9.302 1.00 0.00 N ATOM 1423 CA LYS A 94 20.100 -1.027 -8.543 1.00 0.00 C ATOM 1424 C LYS A 94 19.896 -2.254 -9.422 1.00 0.00 C ATOM 1425 O LYS A 94 20.084 -3.390 -8.979 1.00 0.00 O ATOM 1426 CB LYS A 94 18.750 -0.542 -8.018 1.00 0.00 C ATOM 1427 CG LYS A 94 18.940 0.706 -7.146 1.00 0.00 C ATOM 1428 CD LYS A 94 19.743 0.362 -5.887 1.00 0.00 C ATOM 1429 CE LYS A 94 19.557 1.460 -4.843 1.00 0.00 C ATOM 1430 NZ LYS A 94 20.291 1.081 -3.604 1.00 0.00 N ATOM 0 H LYS A 94 20.194 0.902 -9.362 1.00 0.00 H new ATOM 0 HA LYS A 94 20.743 -1.299 -7.706 1.00 0.00 H new ATOM 0 HB2 LYS A 94 18.087 -0.314 -8.853 1.00 0.00 H new ATOM 0 HB3 LYS A 94 18.272 -1.331 -7.438 1.00 0.00 H new ATOM 0 HG2 LYS A 94 19.457 1.479 -7.714 1.00 0.00 H new ATOM 0 HG3 LYS A 94 17.968 1.112 -6.865 1.00 0.00 H new ATOM 0 HD2 LYS A 94 19.414 -0.596 -5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 94 20.799 0.257 -6.135 1.00 0.00 H new ATOM 0 HE2 LYS A 94 19.930 2.410 -5.226 1.00 0.00 H new ATOM 0 HE3 LYS A 94 18.498 1.597 -4.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 20.169 1.825 -2.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 19.915 0.183 -3.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 21.302 0.971 -3.820 1.00 0.00 H new ATOM 1444 N MET A 95 19.515 -2.022 -10.669 1.00 0.00 N ATOM 1445 CA MET A 95 19.293 -3.118 -11.599 1.00 0.00 C ATOM 1446 C MET A 95 20.594 -3.869 -11.855 1.00 0.00 C ATOM 1447 O MET A 95 20.598 -5.089 -11.988 1.00 0.00 O ATOM 1448 CB MET A 95 18.740 -2.577 -12.919 1.00 0.00 C ATOM 1449 CG MET A 95 17.336 -2.017 -12.689 1.00 0.00 C ATOM 1450 SD MET A 95 16.730 -1.264 -14.221 1.00 0.00 S ATOM 1451 CE MET A 95 15.276 -0.453 -13.513 1.00 0.00 C ATOM 0 H MET A 95 19.354 -1.093 -11.058 1.00 0.00 H new ATOM 0 HA MET A 95 18.570 -3.806 -11.161 1.00 0.00 H new ATOM 0 HB2 MET A 95 19.395 -1.798 -13.308 1.00 0.00 H new ATOM 0 HB3 MET A 95 18.709 -3.370 -13.666 1.00 0.00 H new ATOM 0 HG2 MET A 95 16.663 -2.813 -12.371 1.00 0.00 H new ATOM 0 HG3 MET A 95 17.354 -1.277 -11.889 1.00 0.00 H new ATOM 0 HE1 MET A 95 14.741 0.083 -14.297 1.00 0.00 H new ATOM 0 HE2 MET A 95 14.619 -1.203 -13.073 1.00 0.00 H new ATOM 0 HE3 MET A 95 15.591 0.251 -12.742 1.00 0.00 H new ATOM 1461 N MET A 96 21.696 -3.133 -11.923 1.00 0.00 N ATOM 1462 CA MET A 96 23.002 -3.742 -12.165 1.00 0.00 C ATOM 1463 C MET A 96 23.357 -4.722 -11.051 1.00 0.00 C ATOM 1464 O MET A 96 23.981 -5.755 -11.295 1.00 0.00 O ATOM 1465 CB MET A 96 24.078 -2.660 -12.257 1.00 0.00 C ATOM 1466 CG MET A 96 25.432 -3.310 -12.547 1.00 0.00 C ATOM 1467 SD MET A 96 26.669 -2.022 -12.844 1.00 0.00 S ATOM 1468 CE MET A 96 27.635 -2.911 -14.091 1.00 0.00 C ATOM 0 H MET A 96 21.714 -2.119 -11.815 1.00 0.00 H new ATOM 0 HA MET A 96 22.954 -4.286 -13.108 1.00 0.00 H new ATOM 0 HB2 MET A 96 23.828 -1.949 -13.045 1.00 0.00 H new ATOM 0 HB3 MET A 96 24.125 -2.098 -11.324 1.00 0.00 H new ATOM 0 HG2 MET A 96 25.736 -3.934 -11.706 1.00 0.00 H new ATOM 0 HG3 MET A 96 25.355 -3.963 -13.417 1.00 0.00 H new ATOM 0 HE1 MET A 96 28.466 -2.287 -14.420 1.00 0.00 H new ATOM 0 HE2 MET A 96 28.022 -3.835 -13.661 1.00 0.00 H new ATOM 0 HE3 MET A 96 26.999 -3.147 -14.944 1.00 0.00 H new ATOM 1478 N ILE A 97 22.960 -4.388 -9.831 1.00 0.00 N ATOM 1479 CA ILE A 97 23.247 -5.241 -8.685 1.00 0.00 C ATOM 1480 C ILE A 97 22.583 -6.604 -8.861 1.00 0.00 C ATOM 1481 O ILE A 97 23.181 -7.635 -8.560 1.00 0.00 O ATOM 1482 CB ILE A 97 22.734 -4.587 -7.397 1.00 0.00 C ATOM 1483 CG1 ILE A 97 23.557 -3.327 -7.107 1.00 0.00 C ATOM 1484 CG2 ILE A 97 22.875 -5.569 -6.226 1.00 0.00 C ATOM 1485 CD1 ILE A 97 22.928 -2.547 -5.947 1.00 0.00 C ATOM 0 H ILE A 97 22.441 -3.538 -9.609 1.00 0.00 H new ATOM 0 HA ILE A 97 24.327 -5.374 -8.616 1.00 0.00 H new ATOM 0 HB ILE A 97 21.684 -4.321 -7.519 1.00 0.00 H new ATOM 0 HG12 ILE A 97 24.582 -3.601 -6.858 1.00 0.00 H new ATOM 0 HG13 ILE A 97 23.602 -2.699 -7.997 1.00 0.00 H new ATOM 0 HG21 ILE A 97 22.509 -5.101 -5.312 1.00 0.00 H new ATOM 0 HG22 ILE A 97 22.292 -6.467 -6.432 1.00 0.00 H new ATOM 0 HG23 ILE A 97 23.924 -5.838 -6.101 1.00 0.00 H new ATOM 0 HD11 ILE A 97 23.519 -1.653 -5.747 1.00 0.00 H new ATOM 0 HD12 ILE A 97 21.911 -2.258 -6.212 1.00 0.00 H new ATOM 0 HD13 ILE A 97 22.906 -3.174 -5.056 1.00 0.00 H new ATOM 1497 N ILE A 98 21.343 -6.604 -9.335 1.00 0.00 N ATOM 1498 CA ILE A 98 20.618 -7.854 -9.520 1.00 0.00 C ATOM 1499 C ILE A 98 21.372 -8.775 -10.477 1.00 0.00 C ATOM 1500 O ILE A 98 21.559 -9.961 -10.198 1.00 0.00 O ATOM 1501 CB ILE A 98 19.226 -7.557 -10.090 1.00 0.00 C ATOM 1502 CG1 ILE A 98 18.406 -6.783 -9.055 1.00 0.00 C ATOM 1503 CG2 ILE A 98 18.510 -8.870 -10.423 1.00 0.00 C ATOM 1504 CD1 ILE A 98 17.118 -6.266 -9.700 1.00 0.00 C ATOM 0 H ILE A 98 20.825 -5.765 -9.595 1.00 0.00 H new ATOM 0 HA ILE A 98 20.526 -8.351 -8.554 1.00 0.00 H new ATOM 0 HB ILE A 98 19.330 -6.962 -10.997 1.00 0.00 H new ATOM 0 HG12 ILE A 98 18.167 -7.428 -8.210 1.00 0.00 H new ATOM 0 HG13 ILE A 98 18.989 -5.949 -8.665 1.00 0.00 H new ATOM 0 HG21 ILE A 98 17.521 -8.653 -10.828 1.00 0.00 H new ATOM 0 HG22 ILE A 98 19.090 -9.424 -11.161 1.00 0.00 H new ATOM 0 HG23 ILE A 98 18.408 -9.469 -9.518 1.00 0.00 H new ATOM 0 HD11 ILE A 98 16.536 -5.715 -8.961 1.00 0.00 H new ATOM 0 HD12 ILE A 98 17.367 -5.606 -10.531 1.00 0.00 H new ATOM 0 HD13 ILE A 98 16.532 -7.108 -10.069 1.00 0.00 H new ATOM 1516 N LEU A 99 21.813 -8.221 -11.598 1.00 0.00 N ATOM 1517 CA LEU A 99 22.554 -8.997 -12.588 1.00 0.00 C ATOM 1518 C LEU A 99 23.880 -9.469 -12.007 1.00 0.00 C ATOM 1519 O LEU A 99 24.329 -10.583 -12.278 1.00 0.00 O ATOM 1520 CB LEU A 99 22.791 -8.151 -13.845 1.00 0.00 C ATOM 1521 CG LEU A 99 21.540 -8.190 -14.743 1.00 0.00 C ATOM 1522 CD1 LEU A 99 21.362 -9.589 -15.379 1.00 0.00 C ATOM 1523 CD2 LEU A 99 20.299 -7.838 -13.904 1.00 0.00 C ATOM 0 H LEU A 99 21.672 -7.242 -11.846 1.00 0.00 H new ATOM 0 HA LEU A 99 21.967 -9.874 -12.860 1.00 0.00 H new ATOM 0 HB2 LEU A 99 23.017 -7.122 -13.565 1.00 0.00 H new ATOM 0 HB3 LEU A 99 23.655 -8.529 -14.392 1.00 0.00 H new ATOM 0 HG LEU A 99 21.662 -7.462 -15.545 1.00 0.00 H new ATOM 0 HD11 LEU A 99 20.472 -9.592 -16.009 1.00 0.00 H new ATOM 0 HD12 LEU A 99 22.236 -9.827 -15.985 1.00 0.00 H new ATOM 0 HD13 LEU A 99 21.252 -10.335 -14.592 1.00 0.00 H new ATOM 0 HD21 LEU A 99 19.412 -7.865 -14.537 1.00 0.00 H new ATOM 0 HD22 LEU A 99 20.190 -8.561 -13.095 1.00 0.00 H new ATOM 0 HD23 LEU A 99 20.415 -6.839 -13.484 1.00 0.00 H new ATOM 1535 N GLY A 100 24.506 -8.614 -11.214 1.00 0.00 N ATOM 1536 CA GLY A 100 25.781 -8.953 -10.610 1.00 0.00 C ATOM 1537 C GLY A 100 25.664 -10.212 -9.763 1.00 0.00 C ATOM 1538 O GLY A 100 26.570 -11.047 -9.747 1.00 0.00 O ATOM 0 H GLY A 100 24.154 -7.687 -10.976 1.00 0.00 H new ATOM 0 HA2 GLY A 100 26.529 -9.102 -11.389 1.00 0.00 H new ATOM 0 HA3 GLY A 100 26.126 -8.125 -9.991 1.00 0.00 H new ATOM 1542 N VAL A 101 24.549 -10.346 -9.053 1.00 0.00 N ATOM 1543 CA VAL A 101 24.339 -11.512 -8.204 1.00 0.00 C ATOM 1544 C VAL A 101 24.335 -12.789 -9.042 1.00 0.00 C ATOM 1545 O VAL A 101 24.999 -13.765 -8.698 1.00 0.00 O ATOM 1546 CB VAL A 101 23.005 -11.381 -7.463 1.00 0.00 C ATOM 1547 CG1 VAL A 101 22.712 -12.668 -6.688 1.00 0.00 C ATOM 1548 CG2 VAL A 101 23.077 -10.206 -6.486 1.00 0.00 C ATOM 0 H VAL A 101 23.785 -9.670 -9.048 1.00 0.00 H new ATOM 0 HA VAL A 101 25.153 -11.567 -7.481 1.00 0.00 H new ATOM 0 HB VAL A 101 22.209 -11.208 -8.187 1.00 0.00 H new ATOM 0 HG11 VAL A 101 21.762 -12.568 -6.163 1.00 0.00 H new ATOM 0 HG12 VAL A 101 22.657 -13.506 -7.382 1.00 0.00 H new ATOM 0 HG13 VAL A 101 23.508 -12.847 -5.966 1.00 0.00 H new ATOM 0 HG21 VAL A 101 22.128 -10.113 -5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 101 23.877 -10.380 -5.766 1.00 0.00 H new ATOM 0 HG23 VAL A 101 23.278 -9.287 -7.036 1.00 0.00 H new ATOM 1558 N ILE A 102 23.584 -12.777 -10.138 1.00 0.00 N ATOM 1559 CA ILE A 102 23.501 -13.946 -11.009 1.00 0.00 C ATOM 1560 C ILE A 102 24.866 -14.272 -11.599 1.00 0.00 C ATOM 1561 O ILE A 102 25.314 -15.421 -11.586 1.00 0.00 O ATOM 1562 CB ILE A 102 22.504 -13.675 -12.136 1.00 0.00 C ATOM 1563 CG1 ILE A 102 21.148 -13.277 -11.538 1.00 0.00 C ATOM 1564 CG2 ILE A 102 22.331 -14.941 -12.980 1.00 0.00 C ATOM 1565 CD1 ILE A 102 20.277 -12.647 -12.623 1.00 0.00 C ATOM 0 H ILE A 102 23.028 -11.978 -10.444 1.00 0.00 H new ATOM 0 HA ILE A 102 23.165 -14.799 -10.419 1.00 0.00 H new ATOM 0 HB ILE A 102 22.879 -12.865 -12.762 1.00 0.00 H new ATOM 0 HG12 ILE A 102 20.651 -14.153 -11.121 1.00 0.00 H new ATOM 0 HG13 ILE A 102 21.293 -12.573 -10.719 1.00 0.00 H new ATOM 0 HG21 ILE A 102 21.620 -14.748 -13.784 1.00 0.00 H new ATOM 0 HG22 ILE A 102 23.292 -15.228 -13.407 1.00 0.00 H new ATOM 0 HG23 ILE A 102 21.957 -15.749 -12.351 1.00 0.00 H new ATOM 0 HD11 ILE A 102 19.314 -12.364 -12.198 1.00 0.00 H new ATOM 0 HD12 ILE A 102 20.773 -11.761 -13.019 1.00 0.00 H new ATOM 0 HD13 ILE A 102 20.122 -13.366 -13.428 1.00 0.00 H new ATOM 1577 N CYS A 103 25.520 -13.249 -12.116 1.00 0.00 N ATOM 1578 CA CYS A 103 26.841 -13.427 -12.715 1.00 0.00 C ATOM 1579 C CYS A 103 27.815 -14.002 -11.693 1.00 0.00 C ATOM 1580 O CYS A 103 28.644 -14.849 -12.021 1.00 0.00 O ATOM 1581 CB CYS A 103 27.378 -12.090 -13.234 1.00 0.00 C ATOM 1582 SG CYS A 103 26.329 -11.505 -14.587 1.00 0.00 S ATOM 0 H CYS A 103 25.167 -12.292 -12.136 1.00 0.00 H new ATOM 0 HA CYS A 103 26.745 -14.122 -13.549 1.00 0.00 H new ATOM 0 HB2 CYS A 103 27.395 -11.355 -12.429 1.00 0.00 H new ATOM 0 HB3 CYS A 103 28.405 -12.208 -13.580 1.00 0.00 H new ATOM 0 HG CYS A 103 25.245 -10.978 -14.099 1.00 0.00 H new ATOM 1588 N ALA A 104 27.706 -13.542 -10.452 1.00 0.00 N ATOM 1589 CA ALA A 104 28.582 -14.018 -9.388 1.00 0.00 C ATOM 1590 C ALA A 104 28.512 -15.538 -9.286 1.00 0.00 C ATOM 1591 O ALA A 104 29.508 -16.197 -8.990 1.00 0.00 O ATOM 1592 CB ALA A 104 28.170 -13.394 -8.055 1.00 0.00 C ATOM 0 H ALA A 104 27.023 -12.843 -10.159 1.00 0.00 H new ATOM 0 HA ALA A 104 29.606 -13.725 -9.622 1.00 0.00 H new ATOM 0 HB1 ALA A 104 28.829 -13.755 -7.265 1.00 0.00 H new ATOM 0 HB2 ALA A 104 28.245 -12.309 -8.123 1.00 0.00 H new ATOM 0 HB3 ALA A 104 27.142 -13.673 -7.825 1.00 0.00 H new ATOM 1598 N ILE A 105 27.329 -16.086 -9.535 1.00 0.00 N ATOM 1599 CA ILE A 105 27.137 -17.534 -9.476 1.00 0.00 C ATOM 1600 C ILE A 105 27.986 -18.231 -10.533 1.00 0.00 C ATOM 1601 O ILE A 105 28.588 -19.270 -10.270 1.00 0.00 O ATOM 1602 CB ILE A 105 25.664 -17.883 -9.689 1.00 0.00 C ATOM 1603 CG1 ILE A 105 24.814 -17.129 -8.665 1.00 0.00 C ATOM 1604 CG2 ILE A 105 25.464 -19.389 -9.502 1.00 0.00 C ATOM 1605 CD1 ILE A 105 23.330 -17.323 -8.985 1.00 0.00 C ATOM 0 H ILE A 105 26.492 -15.556 -9.778 1.00 0.00 H new ATOM 0 HA ILE A 105 27.448 -17.879 -8.490 1.00 0.00 H new ATOM 0 HB ILE A 105 25.364 -17.599 -10.697 1.00 0.00 H new ATOM 0 HG12 ILE A 105 25.030 -17.492 -7.660 1.00 0.00 H new ATOM 0 HG13 ILE A 105 25.064 -16.068 -8.681 1.00 0.00 H new ATOM 0 HG21 ILE A 105 24.414 -19.638 -9.654 1.00 0.00 H new ATOM 0 HG22 ILE A 105 26.074 -19.930 -10.226 1.00 0.00 H new ATOM 0 HG23 ILE A 105 25.762 -19.673 -8.493 1.00 0.00 H new ATOM 0 HD11 ILE A 105 22.727 -16.785 -8.254 1.00 0.00 H new ATOM 0 HD12 ILE A 105 23.120 -16.938 -9.983 1.00 0.00 H new ATOM 0 HD13 ILE A 105 23.085 -18.384 -8.946 1.00 0.00 H new ATOM 1617 N ILE A 106 28.020 -17.657 -11.728 1.00 0.00 N ATOM 1618 CA ILE A 106 28.792 -18.240 -12.821 1.00 0.00 C ATOM 1619 C ILE A 106 30.274 -18.309 -12.457 1.00 0.00 C ATOM 1620 O ILE A 106 30.936 -19.317 -12.704 1.00 0.00 O ATOM 1621 CB ILE A 106 28.621 -17.401 -14.088 1.00 0.00 C ATOM 1622 CG1 ILE A 106 27.132 -17.261 -14.409 1.00 0.00 C ATOM 1623 CG2 ILE A 106 29.332 -18.088 -15.257 1.00 0.00 C ATOM 1624 CD1 ILE A 106 26.941 -16.251 -15.544 1.00 0.00 C ATOM 0 H ILE A 106 27.527 -16.796 -11.966 1.00 0.00 H new ATOM 0 HA ILE A 106 28.423 -19.250 -12.998 1.00 0.00 H new ATOM 0 HB ILE A 106 29.054 -16.413 -13.930 1.00 0.00 H new ATOM 0 HG12 ILE A 106 26.720 -18.228 -14.697 1.00 0.00 H new ATOM 0 HG13 ILE A 106 26.588 -16.934 -13.523 1.00 0.00 H new ATOM 0 HG21 ILE A 106 29.210 -17.489 -16.160 1.00 0.00 H new ATOM 0 HG22 ILE A 106 30.393 -18.188 -15.029 1.00 0.00 H new ATOM 0 HG23 ILE A 106 28.900 -19.076 -15.416 1.00 0.00 H new ATOM 0 HD11 ILE A 106 25.879 -16.154 -15.770 1.00 0.00 H new ATOM 0 HD12 ILE A 106 27.337 -15.282 -15.240 1.00 0.00 H new ATOM 0 HD13 ILE A 106 27.471 -16.597 -16.432 1.00 0.00 H new ATOM 1636 N LEU A 107 30.788 -17.235 -11.868 1.00 0.00 N ATOM 1637 CA LEU A 107 32.194 -17.191 -11.474 1.00 0.00 C ATOM 1638 C LEU A 107 32.493 -18.271 -10.437 1.00 0.00 C ATOM 1639 O LEU A 107 33.531 -18.929 -10.495 1.00 0.00 O ATOM 1640 CB LEU A 107 32.531 -15.802 -10.900 1.00 0.00 C ATOM 1641 CG LEU A 107 32.928 -14.846 -12.027 1.00 0.00 C ATOM 1642 CD1 LEU A 107 31.765 -14.692 -13.005 1.00 0.00 C ATOM 1643 CD2 LEU A 107 33.283 -13.483 -11.434 1.00 0.00 C ATOM 0 H LEU A 107 30.259 -16.390 -11.654 1.00 0.00 H new ATOM 0 HA LEU A 107 32.810 -17.376 -12.354 1.00 0.00 H new ATOM 0 HB2 LEU A 107 31.670 -15.404 -10.362 1.00 0.00 H new ATOM 0 HB3 LEU A 107 33.346 -15.886 -10.181 1.00 0.00 H new ATOM 0 HG LEU A 107 33.791 -15.249 -12.557 1.00 0.00 H new ATOM 0 HD11 LEU A 107 32.051 -14.011 -13.806 1.00 0.00 H new ATOM 0 HD12 LEU A 107 31.514 -15.665 -13.428 1.00 0.00 H new ATOM 0 HD13 LEU A 107 30.898 -14.291 -12.480 1.00 0.00 H new ATOM 0 HD21 LEU A 107 33.566 -12.800 -12.235 1.00 0.00 H new ATOM 0 HD22 LEU A 107 32.420 -13.081 -10.903 1.00 0.00 H new ATOM 0 HD23 LEU A 107 34.116 -13.594 -10.740 1.00 0.00 H new ATOM 1655 N ILE A 108 31.580 -18.449 -9.494 1.00 0.00 N ATOM 1656 CA ILE A 108 31.767 -19.449 -8.454 1.00 0.00 C ATOM 1657 C ILE A 108 31.819 -20.848 -9.063 1.00 0.00 C ATOM 1658 O ILE A 108 32.652 -21.668 -8.682 1.00 0.00 O ATOM 1659 CB ILE A 108 30.623 -19.366 -7.439 1.00 0.00 C ATOM 1660 CG1 ILE A 108 30.720 -18.048 -6.669 1.00 0.00 C ATOM 1661 CG2 ILE A 108 30.720 -20.537 -6.456 1.00 0.00 C ATOM 1662 CD1 ILE A 108 29.436 -17.829 -5.867 1.00 0.00 C ATOM 0 H ILE A 108 30.711 -17.920 -9.427 1.00 0.00 H new ATOM 0 HA ILE A 108 32.712 -19.253 -7.947 1.00 0.00 H new ATOM 0 HB ILE A 108 29.670 -19.413 -7.965 1.00 0.00 H new ATOM 0 HG12 ILE A 108 31.580 -18.068 -6.000 1.00 0.00 H new ATOM 0 HG13 ILE A 108 30.874 -17.221 -7.362 1.00 0.00 H new ATOM 0 HG21 ILE A 108 29.905 -20.475 -5.735 1.00 0.00 H new ATOM 0 HG22 ILE A 108 30.651 -21.478 -7.003 1.00 0.00 H new ATOM 0 HG23 ILE A 108 31.674 -20.492 -5.930 1.00 0.00 H new ATOM 0 HD11 ILE A 108 29.505 -16.890 -5.318 1.00 0.00 H new ATOM 0 HD12 ILE A 108 28.585 -17.790 -6.547 1.00 0.00 H new ATOM 0 HD13 ILE A 108 29.302 -18.651 -5.164 1.00 0.00 H new ATOM 1674 N ILE A 109 30.923 -21.112 -10.005 1.00 0.00 N ATOM 1675 CA ILE A 109 30.874 -22.417 -10.651 1.00 0.00 C ATOM 1676 C ILE A 109 32.175 -22.689 -11.399 1.00 0.00 C ATOM 1677 O ILE A 109 32.715 -23.792 -11.339 1.00 0.00 O ATOM 1678 CB ILE A 109 29.697 -22.469 -11.629 1.00 0.00 C ATOM 1679 CG1 ILE A 109 28.380 -22.428 -10.848 1.00 0.00 C ATOM 1680 CG2 ILE A 109 29.760 -23.763 -12.448 1.00 0.00 C ATOM 1681 CD1 ILE A 109 27.221 -22.184 -11.815 1.00 0.00 C ATOM 0 H ILE A 109 30.225 -20.446 -10.337 1.00 0.00 H new ATOM 0 HA ILE A 109 30.742 -23.181 -9.885 1.00 0.00 H new ATOM 0 HB ILE A 109 29.752 -21.612 -12.301 1.00 0.00 H new ATOM 0 HG12 ILE A 109 28.231 -23.367 -10.315 1.00 0.00 H new ATOM 0 HG13 ILE A 109 28.414 -21.638 -10.098 1.00 0.00 H new ATOM 0 HG21 ILE A 109 28.920 -23.795 -13.142 1.00 0.00 H new ATOM 0 HG22 ILE A 109 30.695 -23.794 -13.007 1.00 0.00 H new ATOM 0 HG23 ILE A 109 29.709 -24.621 -11.777 1.00 0.00 H new ATOM 0 HD11 ILE A 109 26.284 -22.155 -11.259 1.00 0.00 H new ATOM 0 HD12 ILE A 109 27.369 -21.233 -12.328 1.00 0.00 H new ATOM 0 HD13 ILE A 109 27.183 -22.990 -12.548 1.00 0.00 H new ATOM 1693 N ILE A 110 32.670 -21.683 -12.107 1.00 0.00 N ATOM 1694 CA ILE A 110 33.905 -21.835 -12.869 1.00 0.00 C ATOM 1695 C ILE A 110 35.071 -22.150 -11.935 1.00 0.00 C ATOM 1696 O ILE A 110 35.899 -23.011 -12.230 1.00 0.00 O ATOM 1697 CB ILE A 110 34.197 -20.549 -13.644 1.00 0.00 C ATOM 1698 CG1 ILE A 110 33.138 -20.361 -14.733 1.00 0.00 C ATOM 1699 CG2 ILE A 110 35.580 -20.641 -14.294 1.00 0.00 C ATOM 1700 CD1 ILE A 110 33.220 -18.936 -15.284 1.00 0.00 C ATOM 0 H ILE A 110 32.241 -20.760 -12.171 1.00 0.00 H new ATOM 0 HA ILE A 110 33.784 -22.661 -13.570 1.00 0.00 H new ATOM 0 HB ILE A 110 34.175 -19.702 -12.959 1.00 0.00 H new ATOM 0 HG12 ILE A 110 33.294 -21.082 -15.535 1.00 0.00 H new ATOM 0 HG13 ILE A 110 32.145 -20.548 -14.325 1.00 0.00 H new ATOM 0 HG21 ILE A 110 35.785 -19.723 -14.845 1.00 0.00 H new ATOM 0 HG22 ILE A 110 36.337 -20.777 -13.521 1.00 0.00 H new ATOM 0 HG23 ILE A 110 35.605 -21.489 -14.979 1.00 0.00 H new ATOM 0 HD11 ILE A 110 32.466 -18.802 -16.060 1.00 0.00 H new ATOM 0 HD12 ILE A 110 33.043 -18.224 -14.478 1.00 0.00 H new ATOM 0 HD13 ILE A 110 34.210 -18.766 -15.707 1.00 0.00 H new ATOM 1712 N ILE A 111 35.130 -21.449 -10.812 1.00 0.00 N ATOM 1713 CA ILE A 111 36.201 -21.660 -9.848 1.00 0.00 C ATOM 1714 C ILE A 111 36.160 -23.084 -9.301 1.00 0.00 C ATOM 1715 O ILE A 111 37.199 -23.730 -9.144 1.00 0.00 O ATOM 1716 CB ILE A 111 36.071 -20.660 -8.697 1.00 0.00 C ATOM 1717 CG1 ILE A 111 36.384 -19.255 -9.210 1.00 0.00 C ATOM 1718 CG2 ILE A 111 37.053 -21.025 -7.578 1.00 0.00 C ATOM 1719 CD1 ILE A 111 35.950 -18.237 -8.165 1.00 0.00 C ATOM 0 H ILE A 111 34.453 -20.733 -10.546 1.00 0.00 H new ATOM 0 HA ILE A 111 37.155 -21.508 -10.353 1.00 0.00 H new ATOM 0 HB ILE A 111 35.054 -20.690 -8.306 1.00 0.00 H new ATOM 0 HG12 ILE A 111 37.451 -19.157 -9.411 1.00 0.00 H new ATOM 0 HG13 ILE A 111 35.864 -19.073 -10.151 1.00 0.00 H new ATOM 0 HG21 ILE A 111 36.956 -20.310 -6.761 1.00 0.00 H new ATOM 0 HG22 ILE A 111 36.831 -22.027 -7.211 1.00 0.00 H new ATOM 0 HG23 ILE A 111 38.072 -20.998 -7.965 1.00 0.00 H new ATOM 0 HD11 ILE A 111 36.170 -17.231 -8.523 1.00 0.00 H new ATOM 0 HD12 ILE A 111 34.879 -18.333 -7.987 1.00 0.00 H new ATOM 0 HD13 ILE A 111 36.490 -18.417 -7.235 1.00 0.00 H new ATOM 1731 N VAL A 112 34.959 -23.568 -9.006 1.00 0.00 N ATOM 1732 CA VAL A 112 34.799 -24.907 -8.466 1.00 0.00 C ATOM 1733 C VAL A 112 35.408 -25.922 -9.417 1.00 0.00 C ATOM 1734 O VAL A 112 35.886 -26.976 -8.994 1.00 0.00 O ATOM 1735 CB VAL A 112 33.309 -25.209 -8.259 1.00 0.00 C ATOM 1736 CG1 VAL A 112 33.114 -26.698 -7.956 1.00 0.00 C ATOM 1737 CG2 VAL A 112 32.777 -24.377 -7.085 1.00 0.00 C ATOM 0 H VAL A 112 34.087 -23.054 -9.132 1.00 0.00 H new ATOM 0 HA VAL A 112 35.311 -24.970 -7.506 1.00 0.00 H new ATOM 0 HB VAL A 112 32.764 -24.954 -9.168 1.00 0.00 H new ATOM 0 HG11 VAL A 112 32.054 -26.904 -7.810 1.00 0.00 H new ATOM 0 HG12 VAL A 112 33.488 -27.291 -8.791 1.00 0.00 H new ATOM 0 HG13 VAL A 112 33.662 -26.960 -7.051 1.00 0.00 H new ATOM 0 HG21 VAL A 112 31.718 -24.591 -6.937 1.00 0.00 H new ATOM 0 HG22 VAL A 112 33.328 -24.631 -6.180 1.00 0.00 H new ATOM 0 HG23 VAL A 112 32.906 -23.317 -7.303 1.00 0.00 H new ATOM 1747 N TYR A 113 35.393 -25.603 -10.708 1.00 0.00 N ATOM 1748 CA TYR A 113 35.955 -26.498 -11.712 1.00 0.00 C ATOM 1749 C TYR A 113 37.383 -26.093 -12.047 1.00 0.00 C ATOM 1750 O TYR A 113 38.142 -26.880 -12.613 1.00 0.00 O ATOM 1751 CB TYR A 113 35.087 -26.477 -12.985 1.00 0.00 C ATOM 1752 CG TYR A 113 33.905 -27.408 -12.817 1.00 0.00 C ATOM 1753 CD1 TYR A 113 32.844 -27.048 -11.981 1.00 0.00 C ATOM 1754 CD2 TYR A 113 33.877 -28.632 -13.496 1.00 0.00 C ATOM 1755 CE1 TYR A 113 31.752 -27.909 -11.826 1.00 0.00 C ATOM 1756 CE2 TYR A 113 32.786 -29.493 -13.341 1.00 0.00 C ATOM 1757 CZ TYR A 113 31.725 -29.133 -12.504 1.00 0.00 C ATOM 1758 OH TYR A 113 30.648 -29.980 -12.351 1.00 0.00 O ATOM 0 H TYR A 113 35.001 -24.738 -11.081 1.00 0.00 H new ATOM 0 HA TYR A 113 35.967 -27.510 -11.307 1.00 0.00 H new ATOM 0 HB2 TYR A 113 34.738 -25.463 -13.181 1.00 0.00 H new ATOM 0 HB3 TYR A 113 35.682 -26.781 -13.846 1.00 0.00 H new ATOM 0 HD1 TYR A 113 32.867 -26.105 -11.455 1.00 0.00 H new ATOM 0 HD2 TYR A 113 34.698 -28.911 -14.140 1.00 0.00 H new ATOM 0 HE1 TYR A 113 30.930 -27.629 -11.183 1.00 0.00 H new ATOM 0 HE2 TYR A 113 32.763 -30.436 -13.868 1.00 0.00 H new ATOM 0 HH TYR A 113 30.786 -30.786 -12.891 1.00 0.00 H new ATOM 1768 N PHE A 114 37.746 -24.866 -11.696 1.00 0.00 N ATOM 1769 CA PHE A 114 39.089 -24.382 -11.978 1.00 0.00 C ATOM 1770 C PHE A 114 40.132 -25.230 -11.266 1.00 0.00 C ATOM 1771 O PHE A 114 41.150 -25.610 -11.850 1.00 0.00 O ATOM 1772 CB PHE A 114 39.215 -22.927 -11.537 1.00 0.00 C ATOM 1773 CG PHE A 114 40.602 -22.423 -11.850 1.00 0.00 C ATOM 1774 CD1 PHE A 114 40.944 -22.087 -13.165 1.00 0.00 C ATOM 1775 CD2 PHE A 114 41.546 -22.290 -10.825 1.00 0.00 C ATOM 1776 CE1 PHE A 114 42.231 -21.618 -13.455 1.00 0.00 C ATOM 1777 CE2 PHE A 114 42.832 -21.821 -11.114 1.00 0.00 C ATOM 1778 CZ PHE A 114 43.175 -21.485 -12.429 1.00 0.00 C ATOM 0 H PHE A 114 37.139 -24.197 -11.222 1.00 0.00 H new ATOM 0 HA PHE A 114 39.264 -24.454 -13.052 1.00 0.00 H new ATOM 0 HB2 PHE A 114 38.471 -22.316 -12.048 1.00 0.00 H new ATOM 0 HB3 PHE A 114 39.018 -22.842 -10.468 1.00 0.00 H new ATOM 0 HD1 PHE A 114 40.215 -22.189 -13.956 1.00 0.00 H new ATOM 0 HD2 PHE A 114 41.281 -22.550 -9.811 1.00 0.00 H new ATOM 0 HE1 PHE A 114 42.496 -21.359 -14.470 1.00 0.00 H new ATOM 0 HE2 PHE A 114 43.560 -21.718 -10.323 1.00 0.00 H new ATOM 0 HZ PHE A 114 44.168 -21.123 -12.652 1.00 0.00 H new ATOM 1788 N SER A 115 39.875 -25.513 -9.999 1.00 0.00 N ATOM 1789 CA SER A 115 40.796 -26.307 -9.200 1.00 0.00 C ATOM 1790 C SER A 115 40.928 -27.712 -9.760 1.00 0.00 C ATOM 1791 O SER A 115 41.903 -28.409 -9.478 1.00 0.00 O ATOM 1792 CB SER A 115 40.319 -26.382 -7.750 1.00 0.00 C ATOM 1793 OG SER A 115 41.376 -26.878 -6.936 1.00 0.00 O ATOM 0 H SER A 115 39.039 -25.206 -9.502 1.00 0.00 H new ATOM 0 HA SER A 115 41.771 -25.820 -9.235 1.00 0.00 H new ATOM 0 HB2 SER A 115 40.010 -25.395 -7.405 1.00 0.00 H new ATOM 0 HB3 SER A 115 39.449 -27.034 -7.674 1.00 0.00 H new ATOM 0 HG SER A 115 41.865 -27.573 -7.423 1.00 0.00 H new ATOM 1799 N THR A 116 39.938 -28.122 -10.554 1.00 0.00 N ATOM 1800 CA THR A 116 39.933 -29.456 -11.164 1.00 0.00 C ATOM 1801 C THR A 116 40.597 -30.487 -10.253 1.00 0.00 C ATOM 1802 O THR A 116 41.264 -31.367 -10.773 1.00 0.00 O ATOM 1803 CB THR A 116 40.651 -29.417 -12.518 1.00 0.00 C ATOM 1804 OG1 THR A 116 40.730 -30.732 -13.046 1.00 0.00 O ATOM 1805 CG2 THR A 116 42.062 -28.849 -12.345 1.00 0.00 C ATOM 1806 OXT THR A 116 40.446 -30.368 -9.048 1.00 0.00 O ATOM 0 H THR A 116 39.127 -27.550 -10.791 1.00 0.00 H new ATOM 0 HA THR A 116 38.895 -29.754 -11.312 1.00 0.00 H new ATOM 0 HB THR A 116 40.092 -28.779 -13.203 1.00 0.00 H new ATOM 0 HG1 THR A 116 41.380 -31.253 -12.530 1.00 0.00 H new ATOM 0 HG21 THR A 116 42.565 -28.825 -13.311 1.00 0.00 H new ATOM 0 HG22 THR A 116 42.000 -27.838 -11.942 1.00 0.00 H new ATOM 0 HG23 THR A 116 42.626 -29.479 -11.658 1.00 0.00 H new TER 1814 THR A 116