USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 920 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: B 53 ASN : amide:sc= -1.73 K(o=-1.7,f=0.35) USER MOD Set 1.2: B 54 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 17 GLN : amide:sc= -0.592 K(o=-1.1,f=-2.2) USER MOD Set 2.2: B 102 THR OG1 : rot 180:sc= -0.541 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0524 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.974 K(o=-0.97,f=-0.092) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -43:sc= 0.501 USER MOD Single : A 21 THR OG1 : rot 180:sc=4.73e-05 USER MOD Single : A 22 SER OG : rot 180:sc= -1.74! USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : B 31 MET CE :methyl -163:sc= -0.0645 (180deg=-0.446) USER MOD Single : B 34 SER OG : rot -157:sc= 1.13 USER MOD Single : B 35 ASN : amide:sc= -1.39! K(o=-1.4!,f=-0.062) USER MOD Single : B 38 GLN : amide:sc= -0.0309 X(o=-0.031,f=0.22) USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 41 HIS : no HE2:sc= -2.31! C(o=-2.3!,f=-3.4!) USER MOD Single : B 43 SER OG : rot 180:sc= 0 USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 45 TYR OH : rot 30:sc= 0 USER MOD Single : B 52 LYS NZ :NH3+ -156:sc= 1.06 (180deg=-0.0395) USER MOD Single : B 59 LYS NZ :NH3+ -167:sc= -0.0463 (180deg=-0.261) USER MOD Single : B 62 THR OG1 : rot 180:sc= 0 USER MOD Single : B 66 HIS : no HD1:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : B 68 ASN : amide:sc= 0.0804 K(o=0.08,f=-3.6!) USER MOD Single : B 69 SER OG : rot 180:sc= -0.987 USER MOD Single : B 70 TYR OH : rot 180:sc= 0 USER MOD Single : B 71 THR OG1 : rot 180:sc= 0 USER MOD Single : B 73 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0034) USER MOD Single : B 76 LYS NZ :NH3+ 166:sc= -0.0385 (180deg=-0.255) USER MOD Single : B 81 TYR OH : rot 164:sc= 0.678 USER MOD Single : B 84 GLN : amide:sc= 0.865 K(o=0.86,f=-3.5!) USER MOD Single : B 87 SER OG : rot 160:sc= -1.21 USER MOD Single : B 89 GLN : amide:sc= -1.55! K(o=-1.6!,f=-1) USER MOD Single : B 90 GLN : amide:sc= -1.95! K(o=-2!,f=-1.2) USER MOD Single : B 91 TYR OH : rot 180:sc= 0.767 USER MOD Single : B 93 HIS : no HE2:sc= 1.18 K(o=1.2,f=-5.1!) USER MOD Single : B 94 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : B 97 THR OG1 : rot -158:sc= 1.09 USER MOD Single : B 103 THR OG1 : rot 139:sc= -0.408 USER MOD Single : B 104 THR OG1 : rot 180:sc= 0 USER MOD Single : B 105 SER OG : rot 180:sc= 0 USER MOD Single : B 106 THR OG1 : rot 53:sc= 0.0475 USER MOD Single : B 107 SER OG : rot 180:sc= 0 USER MOD Single : B 108 THR OG1 : rot 119:sc= 0.453 USER MOD Single : B 111 SER OG : rot 180:sc= 0 USER MOD Single : B 113 SER OG : rot 180:sc= 0 USER MOD Single : B 114 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.3!) USER MOD Single : B 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 116 HIS : no HD1:sc= 0.623 K(o=0.62,f=-4.7!) USER MOD Single : B 117 HIS : no HD1:sc= -0.0515 X(o=-0.051,f=0) USER MOD Single : B 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.389 9.372 10.296 1.00 0.00 N ATOM 2 CA GLY A 1 12.527 9.333 11.501 1.00 0.00 C ATOM 3 C GLY A 1 11.665 8.091 11.541 1.00 0.00 C ATOM 4 O GLY A 1 11.415 7.466 10.508 1.00 0.00 O ATOM 0 H1 GLY A 1 14.388 9.348 10.583 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.182 8.549 9.694 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.202 10.246 9.764 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.151 9.370 12.394 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.890 10.217 11.520 1.00 0.00 H new ATOM 10 N SER A 2 11.218 7.725 12.731 1.00 0.00 N ATOM 11 CA SER A 2 10.341 6.580 12.899 1.00 0.00 C ATOM 12 C SER A 2 8.887 7.026 12.834 1.00 0.00 C ATOM 13 O SER A 2 8.049 6.381 12.197 1.00 0.00 O ATOM 14 CB SER A 2 10.632 5.893 14.236 1.00 0.00 C ATOM 15 OG SER A 2 9.854 4.719 14.403 1.00 0.00 O ATOM 0 H SER A 2 11.450 8.208 13.599 1.00 0.00 H new ATOM 0 HA SER A 2 10.522 5.868 12.094 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.691 5.639 14.292 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.427 6.585 15.053 1.00 0.00 H new ATOM 0 HG SER A 2 10.066 4.306 15.266 1.00 0.00 H new ATOM 21 N GLN A 3 8.595 8.141 13.488 1.00 0.00 N ATOM 22 CA GLN A 3 7.244 8.671 13.529 1.00 0.00 C ATOM 23 C GLN A 3 7.132 9.914 12.656 1.00 0.00 C ATOM 24 O GLN A 3 7.790 10.926 12.904 1.00 0.00 O ATOM 25 CB GLN A 3 6.846 8.998 14.971 1.00 0.00 C ATOM 26 CG GLN A 3 5.394 9.425 15.127 1.00 0.00 C ATOM 27 CD GLN A 3 4.408 8.357 14.682 1.00 0.00 C ATOM 28 OE1 GLN A 3 3.313 8.667 14.217 1.00 0.00 O ATOM 29 NE2 GLN A 3 4.783 7.093 14.822 1.00 0.00 N ATOM 0 H GLN A 3 9.281 8.697 13.999 1.00 0.00 H new ATOM 0 HA GLN A 3 6.563 7.913 13.141 1.00 0.00 H new ATOM 0 HB2 GLN A 3 7.026 8.123 15.595 1.00 0.00 H new ATOM 0 HB3 GLN A 3 7.491 9.794 15.344 1.00 0.00 H new ATOM 0 HG2 GLN A 3 5.205 9.674 16.171 1.00 0.00 H new ATOM 0 HG3 GLN A 3 5.224 10.332 14.547 1.00 0.00 H new ATOM 0 HE21 GLN A 3 5.700 6.873 15.212 1.00 0.00 H new ATOM 0 HE22 GLN A 3 4.155 6.340 14.540 1.00 0.00 H new ATOM 38 N THR A 4 6.301 9.824 11.633 1.00 0.00 N ATOM 39 CA THR A 4 6.083 10.932 10.721 1.00 0.00 C ATOM 40 C THR A 4 4.961 11.825 11.245 1.00 0.00 C ATOM 41 O THR A 4 3.855 11.354 11.502 1.00 0.00 O ATOM 42 CB THR A 4 5.719 10.406 9.322 1.00 0.00 C ATOM 43 OG1 THR A 4 6.620 9.347 8.960 1.00 0.00 O ATOM 44 CG2 THR A 4 5.790 11.513 8.281 1.00 0.00 C ATOM 0 H THR A 4 5.762 8.987 11.412 1.00 0.00 H new ATOM 0 HA THR A 4 7.002 11.514 10.652 1.00 0.00 H new ATOM 0 HB THR A 4 4.696 10.032 9.352 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.388 9.010 8.070 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.527 11.110 7.303 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.092 12.307 8.546 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.802 11.917 8.247 1.00 0.00 H new ATOM 52 N THR A 5 5.256 13.110 11.412 1.00 0.00 N ATOM 53 CA THR A 5 4.294 14.052 11.969 1.00 0.00 C ATOM 54 C THR A 5 3.188 14.362 10.963 1.00 0.00 C ATOM 55 O THR A 5 2.029 14.555 11.334 1.00 0.00 O ATOM 56 CB THR A 5 4.989 15.365 12.379 1.00 0.00 C ATOM 57 OG1 THR A 5 6.197 15.076 13.097 1.00 0.00 O ATOM 58 CG2 THR A 5 4.076 16.219 13.246 1.00 0.00 C ATOM 0 H THR A 5 6.156 13.523 11.169 1.00 0.00 H new ATOM 0 HA THR A 5 3.854 13.587 12.851 1.00 0.00 H new ATOM 0 HB THR A 5 5.225 15.920 11.471 1.00 0.00 H new ATOM 0 HG1 THR A 5 6.634 15.915 13.353 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.591 17.139 13.521 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.170 16.462 12.691 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.811 15.668 14.148 1.00 0.00 H new ATOM 66 N ALA A 6 3.554 14.397 9.691 1.00 0.00 N ATOM 67 CA ALA A 6 2.607 14.702 8.632 1.00 0.00 C ATOM 68 C ALA A 6 1.829 13.459 8.221 1.00 0.00 C ATOM 69 O ALA A 6 2.422 12.444 7.865 1.00 0.00 O ATOM 70 CB ALA A 6 3.335 15.283 7.428 1.00 0.00 C ATOM 0 H ALA A 6 4.504 14.217 9.367 1.00 0.00 H new ATOM 0 HA ALA A 6 1.899 15.439 9.012 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.615 15.508 6.641 1.00 0.00 H new ATOM 0 HB2 ALA A 6 3.850 16.198 7.721 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.062 14.560 7.059 1.00 0.00 H new ATOM 76 N PRO A 7 0.492 13.517 8.269 1.00 0.00 N ATOM 77 CA PRO A 7 -0.363 12.423 7.806 1.00 0.00 C ATOM 78 C PRO A 7 -0.487 12.412 6.281 1.00 0.00 C ATOM 79 O PRO A 7 -1.584 12.307 5.730 1.00 0.00 O ATOM 80 CB PRO A 7 -1.708 12.734 8.459 1.00 0.00 C ATOM 81 CG PRO A 7 -1.728 14.219 8.593 1.00 0.00 C ATOM 82 CD PRO A 7 -0.297 14.651 8.790 1.00 0.00 C ATOM 0 HA PRO A 7 0.030 11.441 8.069 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.537 12.380 7.846 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.799 12.247 9.430 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.154 14.683 7.703 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -2.345 14.524 9.438 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.079 15.571 8.248 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -0.078 14.841 9.841 1.00 0.00 H new ATOM 90 N ASP A 8 0.652 12.519 5.609 1.00 0.00 N ATOM 91 CA ASP A 8 0.690 12.601 4.154 1.00 0.00 C ATOM 92 C ASP A 8 0.454 11.223 3.545 1.00 0.00 C ATOM 93 O ASP A 8 -0.097 11.094 2.451 1.00 0.00 O ATOM 94 CB ASP A 8 2.040 13.175 3.707 1.00 0.00 C ATOM 95 CG ASP A 8 2.055 13.621 2.257 1.00 0.00 C ATOM 96 OD1 ASP A 8 1.016 14.100 1.760 1.00 0.00 O ATOM 97 OD2 ASP A 8 3.124 13.538 1.617 1.00 0.00 O ATOM 0 H ASP A 8 1.570 12.551 6.053 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.102 13.264 3.806 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.294 14.023 4.343 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.814 12.422 3.856 1.00 0.00 H new ATOM 102 N ALA A 9 0.857 10.198 4.282 1.00 0.00 N ATOM 103 CA ALA A 9 0.642 8.817 3.875 1.00 0.00 C ATOM 104 C ALA A 9 -0.698 8.303 4.395 1.00 0.00 C ATOM 105 O ALA A 9 -1.129 8.679 5.492 1.00 0.00 O ATOM 106 CB ALA A 9 1.771 7.942 4.395 1.00 0.00 C ATOM 0 H ALA A 9 1.340 10.299 5.175 1.00 0.00 H new ATOM 0 HA ALA A 9 0.628 8.776 2.786 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.603 6.910 4.087 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.720 8.293 3.989 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.801 7.995 5.483 1.00 0.00 H new ATOM 112 N PRO A 10 -1.384 7.451 3.607 1.00 0.00 N ATOM 113 CA PRO A 10 -2.633 6.807 4.031 1.00 0.00 C ATOM 114 C PRO A 10 -2.432 5.964 5.291 1.00 0.00 C ATOM 115 O PRO A 10 -1.396 5.306 5.430 1.00 0.00 O ATOM 116 CB PRO A 10 -3.002 5.906 2.844 1.00 0.00 C ATOM 117 CG PRO A 10 -2.270 6.478 1.680 1.00 0.00 C ATOM 118 CD PRO A 10 -1.003 7.059 2.238 1.00 0.00 C ATOM 0 HA PRO A 10 -3.405 7.535 4.279 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.706 4.873 3.027 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.078 5.904 2.670 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.054 5.709 0.938 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.865 7.244 1.182 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.193 6.330 2.239 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.662 7.914 1.655 1.00 0.00 H new ATOM 126 N PRO A 11 -3.409 5.974 6.220 1.00 0.00 N ATOM 127 CA PRO A 11 -3.281 5.310 7.524 1.00 0.00 C ATOM 128 C PRO A 11 -2.798 3.869 7.402 1.00 0.00 C ATOM 129 O PRO A 11 -1.662 3.552 7.767 1.00 0.00 O ATOM 130 CB PRO A 11 -4.702 5.359 8.112 1.00 0.00 C ATOM 131 CG PRO A 11 -5.586 5.799 6.990 1.00 0.00 C ATOM 132 CD PRO A 11 -4.721 6.615 6.074 1.00 0.00 C ATOM 0 HA PRO A 11 -2.538 5.804 8.151 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.004 4.382 8.489 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.756 6.055 8.950 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.007 4.941 6.466 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.424 6.388 7.362 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.076 6.582 5.044 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.695 7.664 6.368 1.00 0.00 H new ATOM 140 N ASP A 12 -3.658 3.011 6.872 1.00 0.00 N ATOM 141 CA ASP A 12 -3.308 1.624 6.611 1.00 0.00 C ATOM 142 C ASP A 12 -4.398 0.966 5.785 1.00 0.00 C ATOM 143 O ASP A 12 -5.583 1.231 5.989 1.00 0.00 O ATOM 144 CB ASP A 12 -3.108 0.835 7.915 1.00 0.00 C ATOM 145 CG ASP A 12 -4.393 0.638 8.697 1.00 0.00 C ATOM 146 OD1 ASP A 12 -5.096 -0.371 8.460 1.00 0.00 O ATOM 147 OD2 ASP A 12 -4.696 1.482 9.568 1.00 0.00 O ATOM 0 H ASP A 12 -4.613 3.256 6.612 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.367 1.616 6.062 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.680 -0.140 7.680 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.385 1.358 8.541 1.00 0.00 H new ATOM 152 N PRO A 13 -4.020 0.149 4.799 1.00 0.00 N ATOM 153 CA PRO A 13 -4.971 -0.688 4.080 1.00 0.00 C ATOM 154 C PRO A 13 -5.427 -1.856 4.944 1.00 0.00 C ATOM 155 O PRO A 13 -4.631 -2.725 5.309 1.00 0.00 O ATOM 156 CB PRO A 13 -4.179 -1.193 2.865 1.00 0.00 C ATOM 157 CG PRO A 13 -2.922 -0.390 2.846 1.00 0.00 C ATOM 158 CD PRO A 13 -2.662 0.004 4.268 1.00 0.00 C ATOM 0 HA PRO A 13 -5.874 -0.146 3.800 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.963 -2.258 2.952 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.745 -1.057 1.944 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.093 -0.973 2.445 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.030 0.489 2.211 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.094 -0.756 4.804 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -2.096 0.933 4.337 1.00 0.00 H new ATOM 166 N THR A 14 -6.703 -1.866 5.277 1.00 0.00 N ATOM 167 CA THR A 14 -7.272 -2.919 6.095 1.00 0.00 C ATOM 168 C THR A 14 -7.986 -3.916 5.200 1.00 0.00 C ATOM 169 O THR A 14 -8.952 -3.565 4.520 1.00 0.00 O ATOM 170 CB THR A 14 -8.272 -2.346 7.111 1.00 0.00 C ATOM 171 OG1 THR A 14 -7.784 -1.098 7.628 1.00 0.00 O ATOM 172 CG2 THR A 14 -8.499 -3.320 8.259 1.00 0.00 C ATOM 0 H THR A 14 -7.370 -1.150 4.991 1.00 0.00 H new ATOM 0 HA THR A 14 -6.465 -3.409 6.640 1.00 0.00 H new ATOM 0 HB THR A 14 -9.221 -2.184 6.600 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.829 -1.179 7.831 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.211 -2.891 8.965 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.895 -4.257 7.868 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.554 -3.510 8.767 1.00 0.00 H new ATOM 180 N VAL A 15 -7.504 -5.145 5.174 1.00 0.00 N ATOM 181 CA VAL A 15 -8.069 -6.138 4.293 1.00 0.00 C ATOM 182 C VAL A 15 -9.101 -6.991 5.018 1.00 0.00 C ATOM 183 O VAL A 15 -8.950 -7.312 6.203 1.00 0.00 O ATOM 184 CB VAL A 15 -6.981 -7.036 3.661 1.00 0.00 C ATOM 185 CG1 VAL A 15 -5.656 -6.298 3.540 1.00 0.00 C ATOM 186 CG2 VAL A 15 -6.805 -8.328 4.430 1.00 0.00 C ATOM 0 H VAL A 15 -6.729 -5.473 5.750 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.566 -5.599 3.486 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.321 -7.291 2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.912 -6.957 3.092 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.786 -5.417 2.911 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.319 -5.990 4.530 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.032 -8.932 3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.511 -8.104 5.455 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.745 -8.880 4.434 1.00 0.00 H new ATOM 196 N ASP A 16 -10.158 -7.330 4.305 1.00 0.00 N ATOM 197 CA ASP A 16 -11.188 -8.201 4.834 1.00 0.00 C ATOM 198 C ASP A 16 -11.022 -9.601 4.270 1.00 0.00 C ATOM 199 O ASP A 16 -10.751 -9.772 3.077 1.00 0.00 O ATOM 200 CB ASP A 16 -12.583 -7.672 4.493 1.00 0.00 C ATOM 201 CG ASP A 16 -12.891 -6.339 5.147 1.00 0.00 C ATOM 202 OD1 ASP A 16 -12.794 -5.297 4.462 1.00 0.00 O ATOM 203 OD2 ASP A 16 -13.243 -6.324 6.347 1.00 0.00 O ATOM 0 H ASP A 16 -10.326 -7.012 3.350 1.00 0.00 H new ATOM 0 HA ASP A 16 -11.085 -8.229 5.919 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -12.671 -7.568 3.412 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -13.328 -8.404 4.805 1.00 0.00 H new ATOM 208 N GLN A 17 -11.171 -10.595 5.127 1.00 0.00 N ATOM 209 CA GLN A 17 -11.070 -11.987 4.714 1.00 0.00 C ATOM 210 C GLN A 17 -12.413 -12.454 4.167 1.00 0.00 C ATOM 211 O GLN A 17 -13.143 -13.187 4.830 1.00 0.00 O ATOM 212 CB GLN A 17 -10.645 -12.859 5.899 1.00 0.00 C ATOM 213 CG GLN A 17 -9.382 -12.376 6.594 1.00 0.00 C ATOM 214 CD GLN A 17 -8.153 -12.472 5.717 1.00 0.00 C ATOM 215 OE1 GLN A 17 -7.442 -13.476 5.734 1.00 0.00 O ATOM 216 NE2 GLN A 17 -7.900 -11.436 4.937 1.00 0.00 N ATOM 0 H GLN A 17 -11.364 -10.465 6.120 1.00 0.00 H new ATOM 0 HA GLN A 17 -10.316 -12.077 3.932 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.458 -12.891 6.624 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.489 -13.880 5.550 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.519 -11.341 6.907 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.224 -12.964 7.498 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.515 -10.623 4.954 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -7.089 -11.450 4.318 1.00 0.00 H new ATOM 225 N VAL A 18 -12.740 -12.004 2.966 1.00 0.00 N ATOM 226 CA VAL A 18 -14.029 -12.305 2.363 1.00 0.00 C ATOM 227 C VAL A 18 -14.110 -13.768 1.938 1.00 0.00 C ATOM 228 O VAL A 18 -14.994 -14.500 2.383 1.00 0.00 O ATOM 229 CB VAL A 18 -14.309 -11.388 1.154 1.00 0.00 C ATOM 230 CG1 VAL A 18 -15.646 -11.720 0.513 1.00 0.00 C ATOM 231 CG2 VAL A 18 -14.276 -9.931 1.584 1.00 0.00 C ATOM 0 H VAL A 18 -12.129 -11.427 2.388 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.791 -12.121 3.120 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.529 -11.556 0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -15.817 -11.058 -0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -15.638 -12.755 0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -16.443 -11.586 1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -14.475 -9.293 0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.036 -9.759 2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -13.293 -9.694 1.992 1.00 0.00 H new ATOM 241 N ASP A 19 -13.184 -14.197 1.096 1.00 0.00 N ATOM 242 CA ASP A 19 -13.162 -15.580 0.643 1.00 0.00 C ATOM 243 C ASP A 19 -11.874 -16.260 1.064 1.00 0.00 C ATOM 244 O ASP A 19 -11.037 -15.646 1.726 1.00 0.00 O ATOM 245 CB ASP A 19 -13.339 -15.674 -0.874 1.00 0.00 C ATOM 246 CG ASP A 19 -14.773 -15.454 -1.307 1.00 0.00 C ATOM 247 OD1 ASP A 19 -15.140 -14.304 -1.623 1.00 0.00 O ATOM 248 OD2 ASP A 19 -15.545 -16.434 -1.329 1.00 0.00 O ATOM 0 H ASP A 19 -12.441 -13.612 0.714 1.00 0.00 H new ATOM 0 HA ASP A 19 -14.001 -16.094 1.113 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -12.700 -14.935 -1.357 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -13.007 -16.655 -1.215 1.00 0.00 H new ATOM 253 N ASP A 20 -11.709 -17.517 0.690 1.00 0.00 N ATOM 254 CA ASP A 20 -10.536 -18.277 1.096 1.00 0.00 C ATOM 255 C ASP A 20 -9.301 -17.826 0.329 1.00 0.00 C ATOM 256 O ASP A 20 -8.265 -17.534 0.926 1.00 0.00 O ATOM 257 CB ASP A 20 -10.761 -19.779 0.893 1.00 0.00 C ATOM 258 CG ASP A 20 -11.862 -20.331 1.775 1.00 0.00 C ATOM 259 OD1 ASP A 20 -11.563 -20.762 2.910 1.00 0.00 O ATOM 260 OD2 ASP A 20 -13.036 -20.339 1.341 1.00 0.00 O ATOM 0 H ASP A 20 -12.369 -18.033 0.108 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.372 -18.089 2.157 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.010 -19.967 -0.152 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.833 -20.312 1.101 1.00 0.00 H new ATOM 265 N THR A 21 -9.417 -17.740 -0.988 1.00 0.00 N ATOM 266 CA THR A 21 -8.272 -17.411 -1.824 1.00 0.00 C ATOM 267 C THR A 21 -8.334 -15.989 -2.377 1.00 0.00 C ATOM 268 O THR A 21 -7.652 -15.666 -3.352 1.00 0.00 O ATOM 269 CB THR A 21 -8.131 -18.412 -2.989 1.00 0.00 C ATOM 270 OG1 THR A 21 -9.427 -18.750 -3.506 1.00 0.00 O ATOM 271 CG2 THR A 21 -7.409 -19.671 -2.537 1.00 0.00 C ATOM 0 H THR A 21 -10.287 -17.892 -1.498 1.00 0.00 H new ATOM 0 HA THR A 21 -7.397 -17.478 -1.178 1.00 0.00 H new ATOM 0 HB THR A 21 -7.541 -17.941 -3.776 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.329 -19.385 -4.246 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.322 -20.361 -3.376 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.414 -19.410 -2.177 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.973 -20.145 -1.734 1.00 0.00 H new ATOM 279 N SER A 22 -9.131 -15.134 -1.753 1.00 0.00 N ATOM 280 CA SER A 22 -9.217 -13.745 -2.173 1.00 0.00 C ATOM 281 C SER A 22 -9.547 -12.832 -0.998 1.00 0.00 C ATOM 282 O SER A 22 -10.435 -13.127 -0.191 1.00 0.00 O ATOM 283 CB SER A 22 -10.256 -13.585 -3.288 1.00 0.00 C ATOM 284 OG SER A 22 -11.508 -14.132 -2.910 1.00 0.00 O ATOM 0 H SER A 22 -9.724 -15.376 -0.959 1.00 0.00 H new ATOM 0 HA SER A 22 -8.242 -13.451 -2.561 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.376 -12.528 -3.527 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.900 -14.078 -4.193 1.00 0.00 H new ATOM 0 HG SER A 22 -12.151 -14.014 -3.640 1.00 0.00 H new ATOM 290 N ILE A 23 -8.817 -11.731 -0.898 1.00 0.00 N ATOM 291 CA ILE A 23 -9.052 -10.748 0.147 1.00 0.00 C ATOM 292 C ILE A 23 -9.465 -9.427 -0.478 1.00 0.00 C ATOM 293 O ILE A 23 -9.177 -9.171 -1.647 1.00 0.00 O ATOM 294 CB ILE A 23 -7.797 -10.493 1.012 1.00 0.00 C ATOM 295 CG1 ILE A 23 -6.748 -9.722 0.204 1.00 0.00 C ATOM 296 CG2 ILE A 23 -7.222 -11.807 1.521 1.00 0.00 C ATOM 297 CD1 ILE A 23 -5.655 -9.095 1.042 1.00 0.00 C ATOM 0 H ILE A 23 -8.053 -11.496 -1.532 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.838 -11.150 0.786 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.084 -9.891 1.874 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.293 -10.399 -0.518 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.248 -8.938 -0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.339 -11.607 2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.969 -12.321 2.126 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.946 -12.435 0.674 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.955 -8.569 0.393 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.096 -8.390 1.747 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.126 -9.874 1.591 1.00 0.00 H new ATOM 309 N VAL A 24 -10.128 -8.592 0.295 1.00 0.00 N ATOM 310 CA VAL A 24 -10.447 -7.252 -0.154 1.00 0.00 C ATOM 311 C VAL A 24 -9.664 -6.243 0.670 1.00 0.00 C ATOM 312 O VAL A 24 -9.959 -6.018 1.844 1.00 0.00 O ATOM 313 CB VAL A 24 -11.959 -6.959 -0.061 1.00 0.00 C ATOM 314 CG1 VAL A 24 -12.267 -5.552 -0.547 1.00 0.00 C ATOM 315 CG2 VAL A 24 -12.745 -7.983 -0.864 1.00 0.00 C ATOM 0 H VAL A 24 -10.456 -8.816 1.235 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.166 -7.170 -1.204 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.259 -7.031 0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -13.339 -5.368 -0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.731 -4.829 0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.953 -5.449 -1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -13.810 -7.764 -0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -12.438 -7.939 -1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -12.551 -8.981 -0.470 1.00 0.00 H new ATOM 325 N VAL A 25 -8.649 -5.664 0.056 1.00 0.00 N ATOM 326 CA VAL A 25 -7.772 -4.724 0.730 1.00 0.00 C ATOM 327 C VAL A 25 -8.185 -3.292 0.402 1.00 0.00 C ATOM 328 O VAL A 25 -8.149 -2.867 -0.753 1.00 0.00 O ATOM 329 CB VAL A 25 -6.284 -4.990 0.370 1.00 0.00 C ATOM 330 CG1 VAL A 25 -6.110 -5.260 -1.113 1.00 0.00 C ATOM 331 CG2 VAL A 25 -5.384 -3.845 0.801 1.00 0.00 C ATOM 0 H VAL A 25 -8.409 -5.831 -0.921 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.870 -4.865 1.806 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.985 -5.882 0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.057 -5.442 -1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.694 -6.136 -1.394 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.453 -4.396 -1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.353 -4.071 0.531 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.697 -2.928 0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.455 -3.713 1.881 1.00 0.00 H new ATOM 341 N ARG A 26 -8.619 -2.570 1.427 1.00 0.00 N ATOM 342 CA ARG A 26 -9.142 -1.223 1.252 1.00 0.00 C ATOM 343 C ARG A 26 -8.365 -0.234 2.106 1.00 0.00 C ATOM 344 O ARG A 26 -7.981 -0.545 3.234 1.00 0.00 O ATOM 345 CB ARG A 26 -10.624 -1.184 1.627 1.00 0.00 C ATOM 346 CG ARG A 26 -11.455 -2.223 0.894 1.00 0.00 C ATOM 347 CD ARG A 26 -12.904 -2.215 1.346 1.00 0.00 C ATOM 348 NE ARG A 26 -13.586 -0.964 1.017 1.00 0.00 N ATOM 349 CZ ARG A 26 -14.879 -0.749 1.245 1.00 0.00 C ATOM 350 NH1 ARG A 26 -15.616 -1.690 1.818 1.00 0.00 N ATOM 351 NH2 ARG A 26 -15.432 0.408 0.899 1.00 0.00 N ATOM 0 H ARG A 26 -8.619 -2.898 2.393 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.031 -0.941 0.205 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.724 -1.340 2.701 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.021 -0.192 1.410 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.409 -2.033 -0.178 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.029 -3.212 1.061 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.432 -3.047 0.879 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.946 -2.376 2.423 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.041 -0.215 0.589 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -15.192 -2.579 2.084 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -16.607 -1.525 1.993 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.865 1.132 0.458 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.423 0.572 1.074 1.00 0.00 H new ATOM 365 N TRP A 27 -8.140 0.950 1.568 1.00 0.00 N ATOM 366 CA TRP A 27 -7.371 1.971 2.259 1.00 0.00 C ATOM 367 C TRP A 27 -8.099 3.309 2.234 1.00 0.00 C ATOM 368 O TRP A 27 -8.773 3.647 1.262 1.00 0.00 O ATOM 369 CB TRP A 27 -5.979 2.109 1.626 1.00 0.00 C ATOM 370 CG TRP A 27 -6.004 2.271 0.132 1.00 0.00 C ATOM 371 CD1 TRP A 27 -6.111 3.439 -0.567 1.00 0.00 C ATOM 372 CD2 TRP A 27 -5.916 1.226 -0.845 1.00 0.00 C ATOM 373 NE1 TRP A 27 -6.105 3.182 -1.917 1.00 0.00 N ATOM 374 CE2 TRP A 27 -5.982 1.833 -2.113 1.00 0.00 C ATOM 375 CE3 TRP A 27 -5.790 -0.163 -0.770 1.00 0.00 C ATOM 376 CZ2 TRP A 27 -5.926 1.098 -3.294 1.00 0.00 C ATOM 377 CZ3 TRP A 27 -5.734 -0.891 -1.943 1.00 0.00 C ATOM 378 CH2 TRP A 27 -5.801 -0.260 -3.190 1.00 0.00 C ATOM 0 H TRP A 27 -8.481 1.231 0.649 1.00 0.00 H new ATOM 0 HA TRP A 27 -7.255 1.666 3.299 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -5.474 2.968 2.067 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -5.388 1.228 1.877 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -6.189 4.421 -0.124 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -6.180 3.883 -2.654 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -5.737 -0.659 0.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -5.979 1.583 -4.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -5.637 -1.966 -1.897 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -5.753 -0.857 -4.089 1.00 0.00 H new ATOM 389 N SER A 28 -7.979 4.055 3.317 1.00 0.00 N ATOM 390 CA SER A 28 -8.554 5.386 3.386 1.00 0.00 C ATOM 391 C SER A 28 -7.579 6.403 2.807 1.00 0.00 C ATOM 392 O SER A 28 -6.475 6.583 3.324 1.00 0.00 O ATOM 393 CB SER A 28 -8.899 5.733 4.835 1.00 0.00 C ATOM 394 OG SER A 28 -9.741 4.738 5.400 1.00 0.00 O ATOM 0 H SER A 28 -7.488 3.762 4.162 1.00 0.00 H new ATOM 0 HA SER A 28 -9.471 5.411 2.798 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.984 5.819 5.422 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.396 6.703 4.874 1.00 0.00 H new ATOM 0 HG SER A 28 -9.950 4.975 6.328 1.00 0.00 H new ATOM 400 N ARG A 29 -7.978 7.044 1.718 1.00 0.00 N ATOM 401 CA ARG A 29 -7.116 7.999 1.043 1.00 0.00 C ATOM 402 C ARG A 29 -7.242 9.382 1.678 1.00 0.00 C ATOM 403 O ARG A 29 -8.280 9.709 2.261 1.00 0.00 O ATOM 404 CB ARG A 29 -7.427 8.026 -0.467 1.00 0.00 C ATOM 405 CG ARG A 29 -8.804 8.559 -0.835 1.00 0.00 C ATOM 406 CD ARG A 29 -8.823 10.075 -0.838 1.00 0.00 C ATOM 407 NE ARG A 29 -10.147 10.614 -1.149 1.00 0.00 N ATOM 408 CZ ARG A 29 -10.423 11.914 -1.272 1.00 0.00 C ATOM 409 NH1 ARG A 29 -9.485 12.827 -1.043 1.00 0.00 N ATOM 410 NH2 ARG A 29 -11.653 12.302 -1.592 1.00 0.00 N ATOM 0 H ARG A 29 -8.893 6.919 1.284 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.079 7.685 1.160 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.674 8.636 -0.966 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.330 7.014 -0.860 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.090 8.187 -1.819 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.543 8.185 -0.126 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.504 10.442 0.138 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.103 10.444 -1.568 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.911 9.951 -1.281 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.546 12.536 -0.771 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.704 13.819 -1.139 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -12.384 11.607 -1.743 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.866 13.295 -1.687 1.00 0.00 H new ATOM 424 N PRO A 30 -6.174 10.193 1.608 1.00 0.00 N ATOM 425 CA PRO A 30 -6.192 11.579 2.089 1.00 0.00 C ATOM 426 C PRO A 30 -7.255 12.411 1.379 1.00 0.00 C ATOM 427 O PRO A 30 -8.290 12.726 2.005 1.00 0.00 O ATOM 428 CB PRO A 30 -4.791 12.102 1.752 1.00 0.00 C ATOM 429 CG PRO A 30 -3.948 10.882 1.623 1.00 0.00 C ATOM 430 CD PRO A 30 -4.853 9.820 1.072 1.00 0.00 C ATOM 431 OXT PRO A 30 -7.067 12.718 0.183 1.00 0.00 O ATOM 0 HA PRO A 30 -6.432 11.640 3.150 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.796 12.678 0.827 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.416 12.760 2.536 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.102 11.059 0.959 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.538 10.585 2.589 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.848 9.812 -0.018 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.552 8.825 1.399 1.00 0.00 H new TER 439 PRO A 30 ATOM 440 N MET B 31 3.181 36.416 -9.226 1.00 0.00 N ATOM 441 CA MET B 31 4.039 35.670 -10.178 1.00 0.00 C ATOM 442 C MET B 31 5.200 34.992 -9.458 1.00 0.00 C ATOM 443 O MET B 31 5.633 33.907 -9.848 1.00 0.00 O ATOM 444 CB MET B 31 4.577 36.602 -11.269 1.00 0.00 C ATOM 445 CG MET B 31 3.505 37.104 -12.223 1.00 0.00 C ATOM 446 SD MET B 31 4.140 38.258 -13.457 1.00 0.00 S ATOM 447 CE MET B 31 4.566 39.657 -12.423 1.00 0.00 C ATOM 0 HA MET B 31 3.423 34.900 -10.642 1.00 0.00 H new ATOM 0 HB2 MET B 31 5.062 37.457 -10.798 1.00 0.00 H new ATOM 0 HB3 MET B 31 5.342 36.076 -11.840 1.00 0.00 H new ATOM 0 HG2 MET B 31 3.051 36.253 -12.730 1.00 0.00 H new ATOM 0 HG3 MET B 31 2.716 37.592 -11.650 1.00 0.00 H new ATOM 0 HE1 MET B 31 4.683 40.546 -13.043 1.00 0.00 H new ATOM 0 HE2 MET B 31 3.773 39.825 -11.694 1.00 0.00 H new ATOM 0 HE3 MET B 31 5.501 39.453 -11.901 1.00 0.00 H new ATOM 459 N ARG B 32 5.701 35.617 -8.401 1.00 0.00 N ATOM 460 CA ARG B 32 6.816 35.058 -7.650 1.00 0.00 C ATOM 461 C ARG B 32 6.293 34.136 -6.551 1.00 0.00 C ATOM 462 O ARG B 32 6.208 34.528 -5.384 1.00 0.00 O ATOM 463 CB ARG B 32 7.663 36.179 -7.040 1.00 0.00 C ATOM 464 CG ARG B 32 9.043 35.727 -6.584 1.00 0.00 C ATOM 465 CD ARG B 32 9.922 35.358 -7.768 1.00 0.00 C ATOM 466 NE ARG B 32 10.142 36.502 -8.652 1.00 0.00 N ATOM 467 CZ ARG B 32 9.928 36.490 -9.968 1.00 0.00 C ATOM 468 NH1 ARG B 32 9.491 35.391 -10.570 1.00 0.00 N ATOM 469 NH2 ARG B 32 10.160 37.581 -10.685 1.00 0.00 N ATOM 0 H ARG B 32 5.354 36.508 -8.046 1.00 0.00 H new ATOM 0 HA ARG B 32 7.443 34.480 -8.329 1.00 0.00 H new ATOM 0 HB2 ARG B 32 7.776 36.977 -7.774 1.00 0.00 H new ATOM 0 HB3 ARG B 32 7.130 36.603 -6.189 1.00 0.00 H new ATOM 0 HG2 ARG B 32 9.518 36.523 -6.010 1.00 0.00 H new ATOM 0 HG3 ARG B 32 8.946 34.869 -5.919 1.00 0.00 H new ATOM 0 HD2 ARG B 32 10.881 34.986 -7.408 1.00 0.00 H new ATOM 0 HD3 ARG B 32 9.456 34.548 -8.329 1.00 0.00 H new ATOM 0 HE ARG B 32 10.482 37.368 -8.233 1.00 0.00 H new ATOM 0 HH11 ARG B 32 9.316 34.546 -10.025 1.00 0.00 H new ATOM 0 HH12 ARG B 32 9.330 35.391 -11.577 1.00 0.00 H new ATOM 0 HH21 ARG B 32 10.502 38.427 -10.230 1.00 0.00 H new ATOM 0 HH22 ARG B 32 9.997 37.574 -11.692 1.00 0.00 H new ATOM 483 N GLY B 33 5.937 32.917 -6.932 1.00 0.00 N ATOM 484 CA GLY B 33 5.368 31.980 -5.982 1.00 0.00 C ATOM 485 C GLY B 33 3.921 32.308 -5.675 1.00 0.00 C ATOM 486 O GLY B 33 3.606 32.809 -4.593 1.00 0.00 O ATOM 0 H GLY B 33 6.032 32.559 -7.882 1.00 0.00 H new ATOM 0 HA2 GLY B 33 5.435 30.969 -6.383 1.00 0.00 H new ATOM 0 HA3 GLY B 33 5.949 31.997 -5.060 1.00 0.00 H new ATOM 490 N SER B 34 3.044 32.036 -6.630 1.00 0.00 N ATOM 491 CA SER B 34 1.634 32.361 -6.490 1.00 0.00 C ATOM 492 C SER B 34 0.776 31.479 -7.399 1.00 0.00 C ATOM 493 O SER B 34 0.242 31.941 -8.409 1.00 0.00 O ATOM 494 CB SER B 34 1.419 33.841 -6.813 1.00 0.00 C ATOM 495 OG SER B 34 2.121 34.207 -7.994 1.00 0.00 O ATOM 0 H SER B 34 3.287 31.589 -7.514 1.00 0.00 H new ATOM 0 HA SER B 34 1.328 32.170 -5.461 1.00 0.00 H new ATOM 0 HB2 SER B 34 0.355 34.039 -6.941 1.00 0.00 H new ATOM 0 HB3 SER B 34 1.759 34.453 -5.978 1.00 0.00 H new ATOM 0 HG SER B 34 2.290 35.172 -7.988 1.00 0.00 H new ATOM 501 N ASN B 35 0.661 30.206 -7.047 1.00 0.00 N ATOM 502 CA ASN B 35 -0.145 29.263 -7.818 1.00 0.00 C ATOM 503 C ASN B 35 -1.144 28.557 -6.916 1.00 0.00 C ATOM 504 O ASN B 35 -1.035 28.619 -5.688 1.00 0.00 O ATOM 505 CB ASN B 35 0.741 28.223 -8.512 1.00 0.00 C ATOM 506 CG ASN B 35 1.512 28.778 -9.699 1.00 0.00 C ATOM 507 OD1 ASN B 35 2.622 28.333 -9.991 1.00 0.00 O ATOM 508 ND2 ASN B 35 0.930 29.738 -10.403 1.00 0.00 N ATOM 0 H ASN B 35 1.116 29.799 -6.230 1.00 0.00 H new ATOM 0 HA ASN B 35 -0.683 29.829 -8.579 1.00 0.00 H new ATOM 0 HB2 ASN B 35 1.447 27.818 -7.788 1.00 0.00 H new ATOM 0 HB3 ASN B 35 0.119 27.394 -8.849 1.00 0.00 H new ATOM 0 HD21 ASN B 35 1.403 30.132 -11.216 1.00 0.00 H new ATOM 0 HD22 ASN B 35 0.009 30.083 -10.132 1.00 0.00 H new ATOM 515 N ALA B 36 -2.125 27.904 -7.528 1.00 0.00 N ATOM 516 CA ALA B 36 -3.122 27.144 -6.789 1.00 0.00 C ATOM 517 C ALA B 36 -2.641 25.716 -6.566 1.00 0.00 C ATOM 518 O ALA B 36 -2.521 24.936 -7.513 1.00 0.00 O ATOM 519 CB ALA B 36 -4.450 27.149 -7.528 1.00 0.00 C ATOM 0 H ALA B 36 -2.250 27.887 -8.540 1.00 0.00 H new ATOM 0 HA ALA B 36 -3.268 27.616 -5.817 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -5.184 26.576 -6.961 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -4.800 28.175 -7.641 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -4.320 26.699 -8.512 1.00 0.00 H new ATOM 525 N PRO B 37 -2.341 25.362 -5.312 1.00 0.00 N ATOM 526 CA PRO B 37 -1.826 24.046 -4.966 1.00 0.00 C ATOM 527 C PRO B 37 -2.927 23.002 -4.829 1.00 0.00 C ATOM 528 O PRO B 37 -4.064 23.318 -4.473 1.00 0.00 O ATOM 529 CB PRO B 37 -1.152 24.289 -3.618 1.00 0.00 C ATOM 530 CG PRO B 37 -1.945 25.384 -2.992 1.00 0.00 C ATOM 531 CD PRO B 37 -2.479 26.227 -4.124 1.00 0.00 C ATOM 0 HA PRO B 37 -1.162 23.650 -5.735 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -1.163 23.390 -3.002 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -0.108 24.577 -3.743 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -2.760 24.979 -2.392 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -1.323 25.980 -2.324 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -3.518 26.510 -3.955 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -1.911 27.151 -4.235 1.00 0.00 H new ATOM 539 N GLN B 38 -2.578 21.763 -5.125 1.00 0.00 N ATOM 540 CA GLN B 38 -3.473 20.636 -4.933 1.00 0.00 C ATOM 541 C GLN B 38 -2.843 19.664 -3.935 1.00 0.00 C ATOM 542 O GLN B 38 -2.356 18.601 -4.324 1.00 0.00 O ATOM 543 CB GLN B 38 -3.733 19.936 -6.270 1.00 0.00 C ATOM 544 CG GLN B 38 -4.459 20.799 -7.291 1.00 0.00 C ATOM 545 CD GLN B 38 -5.898 21.073 -6.906 1.00 0.00 C ATOM 546 OE1 GLN B 38 -6.204 22.058 -6.233 1.00 0.00 O ATOM 547 NE2 GLN B 38 -6.797 20.203 -7.336 1.00 0.00 N ATOM 0 H GLN B 38 -1.666 21.510 -5.505 1.00 0.00 H new ATOM 0 HA GLN B 38 -4.427 20.988 -4.541 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -2.780 19.616 -6.692 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -4.319 19.035 -6.089 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -3.930 21.746 -7.402 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -4.435 20.304 -8.262 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -6.504 19.399 -7.891 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -7.783 20.336 -7.112 1.00 0.00 H new ATOM 556 N PRO B 39 -2.872 20.029 -2.635 1.00 0.00 N ATOM 557 CA PRO B 39 -2.093 19.371 -1.571 1.00 0.00 C ATOM 558 C PRO B 39 -2.025 17.846 -1.666 1.00 0.00 C ATOM 559 O PRO B 39 -0.954 17.283 -1.905 1.00 0.00 O ATOM 560 CB PRO B 39 -2.827 19.798 -0.301 1.00 0.00 C ATOM 561 CG PRO B 39 -3.368 21.145 -0.623 1.00 0.00 C ATOM 562 CD PRO B 39 -3.704 21.123 -2.091 1.00 0.00 C ATOM 0 HA PRO B 39 -1.045 19.666 -1.622 1.00 0.00 H new ATOM 0 HB2 PRO B 39 -3.625 19.099 -0.049 1.00 0.00 H new ATOM 0 HB3 PRO B 39 -2.153 19.835 0.555 1.00 0.00 H new ATOM 0 HG2 PRO B 39 -4.253 21.362 -0.024 1.00 0.00 H new ATOM 0 HG3 PRO B 39 -2.635 21.922 -0.403 1.00 0.00 H new ATOM 0 HD2 PRO B 39 -4.765 20.936 -2.254 1.00 0.00 H new ATOM 0 HD3 PRO B 39 -3.471 22.075 -2.567 1.00 0.00 H new ATOM 570 N SER B 40 -3.155 17.178 -1.494 1.00 0.00 N ATOM 571 CA SER B 40 -3.173 15.726 -1.458 1.00 0.00 C ATOM 572 C SER B 40 -3.874 15.153 -2.685 1.00 0.00 C ATOM 573 O SER B 40 -5.102 15.082 -2.741 1.00 0.00 O ATOM 574 CB SER B 40 -3.858 15.248 -0.180 1.00 0.00 C ATOM 575 OG SER B 40 -3.177 15.729 0.969 1.00 0.00 O ATOM 0 H SER B 40 -4.068 17.617 -1.378 1.00 0.00 H new ATOM 0 HA SER B 40 -2.143 15.369 -1.467 1.00 0.00 H new ATOM 0 HB2 SER B 40 -4.892 15.593 -0.166 1.00 0.00 H new ATOM 0 HB3 SER B 40 -3.885 14.158 -0.162 1.00 0.00 H new ATOM 0 HG SER B 40 -3.634 15.412 1.776 1.00 0.00 H new ATOM 581 N HIS B 41 -3.084 14.762 -3.674 1.00 0.00 N ATOM 582 CA HIS B 41 -3.611 14.165 -4.893 1.00 0.00 C ATOM 583 C HIS B 41 -2.741 13.001 -5.334 1.00 0.00 C ATOM 584 O HIS B 41 -1.643 13.192 -5.866 1.00 0.00 O ATOM 585 CB HIS B 41 -3.706 15.204 -6.013 1.00 0.00 C ATOM 586 CG HIS B 41 -4.932 16.059 -5.939 1.00 0.00 C ATOM 587 ND1 HIS B 41 -5.059 17.130 -5.081 1.00 0.00 N ATOM 588 CD2 HIS B 41 -6.094 15.991 -6.626 1.00 0.00 C ATOM 589 CE1 HIS B 41 -6.248 17.679 -5.243 1.00 0.00 C ATOM 590 NE2 HIS B 41 -6.895 17.008 -6.175 1.00 0.00 N ATOM 0 H HIS B 41 -2.068 14.848 -3.656 1.00 0.00 H new ATOM 0 HA HIS B 41 -4.614 13.795 -4.681 1.00 0.00 H new ATOM 0 HB2 HIS B 41 -2.825 15.844 -5.978 1.00 0.00 H new ATOM 0 HB3 HIS B 41 -3.689 14.691 -6.975 1.00 0.00 H new ATOM 0 HD1 HIS B 41 -4.346 17.448 -4.424 1.00 0.00 H new ATOM 0 HD2 HIS B 41 -6.345 15.269 -7.389 1.00 0.00 H new ATOM 0 HE1 HIS B 41 -6.627 18.534 -4.703 1.00 0.00 H new ATOM 599 N ILE B 42 -3.231 11.795 -5.095 1.00 0.00 N ATOM 600 CA ILE B 42 -2.520 10.589 -5.478 1.00 0.00 C ATOM 601 C ILE B 42 -2.928 10.181 -6.891 1.00 0.00 C ATOM 602 O ILE B 42 -4.117 10.124 -7.215 1.00 0.00 O ATOM 603 CB ILE B 42 -2.782 9.417 -4.495 1.00 0.00 C ATOM 604 CG1 ILE B 42 -2.179 9.698 -3.109 1.00 0.00 C ATOM 605 CG2 ILE B 42 -2.211 8.118 -5.047 1.00 0.00 C ATOM 606 CD1 ILE B 42 -2.931 10.730 -2.291 1.00 0.00 C ATOM 0 H ILE B 42 -4.125 11.627 -4.634 1.00 0.00 H new ATOM 0 HA ILE B 42 -1.453 10.810 -5.445 1.00 0.00 H new ATOM 0 HB ILE B 42 -3.862 9.319 -4.386 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -2.142 8.765 -2.547 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -1.150 10.034 -3.236 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -2.404 7.308 -4.344 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -2.683 7.890 -6.002 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.136 8.225 -5.190 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -2.435 10.864 -1.330 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.946 11.679 -2.827 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -3.954 10.390 -2.127 1.00 0.00 H new ATOM 618 N SER B 43 -1.934 9.918 -7.727 1.00 0.00 N ATOM 619 CA SER B 43 -2.165 9.571 -9.119 1.00 0.00 C ATOM 620 C SER B 43 -2.461 8.082 -9.266 1.00 0.00 C ATOM 621 O SER B 43 -3.242 7.675 -10.127 1.00 0.00 O ATOM 622 CB SER B 43 -0.943 9.958 -9.962 1.00 0.00 C ATOM 623 OG SER B 43 -1.162 9.714 -11.342 1.00 0.00 O ATOM 0 H SER B 43 -0.950 9.939 -7.460 1.00 0.00 H new ATOM 0 HA SER B 43 -3.034 10.125 -9.475 1.00 0.00 H new ATOM 0 HB2 SER B 43 -0.715 11.013 -9.810 1.00 0.00 H new ATOM 0 HB3 SER B 43 -0.074 9.392 -9.625 1.00 0.00 H new ATOM 0 HG SER B 43 -0.365 9.973 -11.850 1.00 0.00 H new ATOM 629 N LYS B 44 -1.840 7.274 -8.417 1.00 0.00 N ATOM 630 CA LYS B 44 -2.017 5.831 -8.468 1.00 0.00 C ATOM 631 C LYS B 44 -1.543 5.185 -7.173 1.00 0.00 C ATOM 632 O LYS B 44 -0.600 5.663 -6.537 1.00 0.00 O ATOM 633 CB LYS B 44 -1.253 5.241 -9.660 1.00 0.00 C ATOM 634 CG LYS B 44 0.235 5.556 -9.644 1.00 0.00 C ATOM 635 CD LYS B 44 0.931 5.046 -10.893 1.00 0.00 C ATOM 636 CE LYS B 44 2.404 5.416 -10.887 1.00 0.00 C ATOM 637 NZ LYS B 44 3.099 4.987 -12.129 1.00 0.00 N ATOM 0 H LYS B 44 -1.208 7.595 -7.684 1.00 0.00 H new ATOM 0 HA LYS B 44 -3.080 5.622 -8.592 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -1.387 4.159 -9.668 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -1.687 5.623 -10.584 1.00 0.00 H new ATOM 0 HG2 LYS B 44 0.378 6.633 -9.562 1.00 0.00 H new ATOM 0 HG3 LYS B 44 0.693 5.106 -8.763 1.00 0.00 H new ATOM 0 HD2 LYS B 44 0.825 3.963 -10.956 1.00 0.00 H new ATOM 0 HD3 LYS B 44 0.451 5.465 -11.777 1.00 0.00 H new ATOM 0 HE2 LYS B 44 2.505 6.495 -10.771 1.00 0.00 H new ATOM 0 HE3 LYS B 44 2.888 4.957 -10.025 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 4.101 5.261 -12.079 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 3.027 3.954 -12.228 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 2.656 5.445 -12.951 1.00 0.00 H new ATOM 651 N TYR B 45 -2.210 4.114 -6.784 1.00 0.00 N ATOM 652 CA TYR B 45 -1.823 3.346 -5.613 1.00 0.00 C ATOM 653 C TYR B 45 -1.235 2.020 -6.064 1.00 0.00 C ATOM 654 O TYR B 45 -1.844 1.311 -6.864 1.00 0.00 O ATOM 655 CB TYR B 45 -3.029 3.077 -4.708 1.00 0.00 C ATOM 656 CG TYR B 45 -3.864 4.295 -4.385 1.00 0.00 C ATOM 657 CD1 TYR B 45 -4.977 4.613 -5.152 1.00 0.00 C ATOM 658 CD2 TYR B 45 -3.553 5.116 -3.308 1.00 0.00 C ATOM 659 CE1 TYR B 45 -5.756 5.713 -4.858 1.00 0.00 C ATOM 660 CE2 TYR B 45 -4.329 6.221 -3.008 1.00 0.00 C ATOM 661 CZ TYR B 45 -5.429 6.513 -3.787 1.00 0.00 C ATOM 662 OH TYR B 45 -6.209 7.607 -3.495 1.00 0.00 O ATOM 0 H TYR B 45 -3.032 3.752 -7.268 1.00 0.00 H new ATOM 0 HA TYR B 45 -1.088 3.919 -5.048 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -3.666 2.334 -5.187 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -2.675 2.639 -3.775 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -5.237 3.988 -5.994 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -2.693 4.888 -2.696 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -6.618 5.945 -5.465 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -4.075 6.851 -2.169 1.00 0.00 H new ATOM 0 HH TYR B 45 -7.133 7.433 -3.770 1.00 0.00 H new ATOM 672 N ILE B 46 -0.050 1.696 -5.587 1.00 0.00 N ATOM 673 CA ILE B 46 0.566 0.427 -5.924 1.00 0.00 C ATOM 674 C ILE B 46 0.493 -0.522 -4.733 1.00 0.00 C ATOM 675 O ILE B 46 1.056 -0.250 -3.671 1.00 0.00 O ATOM 676 CB ILE B 46 2.040 0.582 -6.387 1.00 0.00 C ATOM 677 CG1 ILE B 46 2.134 1.363 -7.708 1.00 0.00 C ATOM 678 CG2 ILE B 46 2.692 -0.784 -6.553 1.00 0.00 C ATOM 679 CD1 ILE B 46 1.930 2.856 -7.570 1.00 0.00 C ATOM 0 H ILE B 46 0.503 2.289 -4.969 1.00 0.00 H new ATOM 0 HA ILE B 46 0.007 0.014 -6.763 1.00 0.00 H new ATOM 0 HB ILE B 46 2.569 1.144 -5.617 1.00 0.00 H new ATOM 0 HG12 ILE B 46 3.112 1.182 -8.153 1.00 0.00 H new ATOM 0 HG13 ILE B 46 1.391 0.970 -8.401 1.00 0.00 H new ATOM 0 HG21 ILE B 46 3.725 -0.657 -6.878 1.00 0.00 H new ATOM 0 HG22 ILE B 46 2.674 -1.314 -5.601 1.00 0.00 H new ATOM 0 HG23 ILE B 46 2.145 -1.360 -7.299 1.00 0.00 H new ATOM 0 HD11 ILE B 46 2.013 3.327 -8.550 1.00 0.00 H new ATOM 0 HD12 ILE B 46 0.941 3.051 -7.156 1.00 0.00 H new ATOM 0 HD13 ILE B 46 2.689 3.267 -6.904 1.00 0.00 H new ATOM 691 N LEU B 47 -0.219 -1.623 -4.918 1.00 0.00 N ATOM 692 CA LEU B 47 -0.368 -2.632 -3.881 1.00 0.00 C ATOM 693 C LEU B 47 0.656 -3.733 -4.125 1.00 0.00 C ATOM 694 O LEU B 47 0.585 -4.438 -5.130 1.00 0.00 O ATOM 695 CB LEU B 47 -1.797 -3.211 -3.917 1.00 0.00 C ATOM 696 CG LEU B 47 -2.339 -3.814 -2.605 1.00 0.00 C ATOM 697 CD1 LEU B 47 -1.465 -4.950 -2.099 1.00 0.00 C ATOM 698 CD2 LEU B 47 -2.480 -2.740 -1.540 1.00 0.00 C ATOM 0 H LEU B 47 -0.707 -1.842 -5.786 1.00 0.00 H new ATOM 0 HA LEU B 47 -0.202 -2.189 -2.899 1.00 0.00 H new ATOM 0 HB2 LEU B 47 -2.476 -2.419 -4.232 1.00 0.00 H new ATOM 0 HB3 LEU B 47 -1.831 -3.984 -4.685 1.00 0.00 H new ATOM 0 HG LEU B 47 -3.324 -4.228 -2.822 1.00 0.00 H new ATOM 0 HD11 LEU B 47 -1.883 -5.346 -1.173 1.00 0.00 H new ATOM 0 HD12 LEU B 47 -1.427 -5.741 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU B 47 -0.457 -4.579 -1.913 1.00 0.00 H new ATOM 0 HD21 LEU B 47 -2.864 -3.186 -0.622 1.00 0.00 H new ATOM 0 HD22 LEU B 47 -1.506 -2.290 -1.345 1.00 0.00 H new ATOM 0 HD23 LEU B 47 -3.171 -1.972 -1.887 1.00 0.00 H new ATOM 710 N ARG B 48 1.624 -3.855 -3.234 1.00 0.00 N ATOM 711 CA ARG B 48 2.628 -4.902 -3.349 1.00 0.00 C ATOM 712 C ARG B 48 2.515 -5.877 -2.195 1.00 0.00 C ATOM 713 O ARG B 48 2.377 -5.465 -1.046 1.00 0.00 O ATOM 714 CB ARG B 48 4.037 -4.307 -3.387 1.00 0.00 C ATOM 715 CG ARG B 48 4.304 -3.467 -4.607 1.00 0.00 C ATOM 716 CD ARG B 48 5.727 -2.947 -4.613 1.00 0.00 C ATOM 717 NE ARG B 48 6.003 -2.183 -5.818 1.00 0.00 N ATOM 718 CZ ARG B 48 6.852 -1.161 -5.885 1.00 0.00 C ATOM 719 NH1 ARG B 48 7.560 -0.803 -4.820 1.00 0.00 N ATOM 720 NH2 ARG B 48 7.010 -0.517 -7.031 1.00 0.00 N ATOM 0 H ARG B 48 1.738 -3.245 -2.425 1.00 0.00 H new ATOM 0 HA ARG B 48 2.449 -5.434 -4.283 1.00 0.00 H new ATOM 0 HB2 ARG B 48 4.189 -3.698 -2.496 1.00 0.00 H new ATOM 0 HB3 ARG B 48 4.765 -5.117 -3.347 1.00 0.00 H new ATOM 0 HG2 ARG B 48 4.126 -4.059 -5.505 1.00 0.00 H new ATOM 0 HG3 ARG B 48 3.608 -2.629 -4.634 1.00 0.00 H new ATOM 0 HD2 ARG B 48 5.892 -2.320 -3.736 1.00 0.00 H new ATOM 0 HD3 ARG B 48 6.423 -3.783 -4.542 1.00 0.00 H new ATOM 0 HE ARG B 48 5.512 -2.449 -6.671 1.00 0.00 H new ATOM 0 HH11 ARG B 48 7.455 -1.313 -3.943 1.00 0.00 H new ATOM 0 HH12 ARG B 48 8.209 -0.018 -4.879 1.00 0.00 H new ATOM 0 HH21 ARG B 48 6.483 -0.805 -7.855 1.00 0.00 H new ATOM 0 HH22 ARG B 48 7.659 0.268 -7.090 1.00 0.00 H new ATOM 734 N TRP B 49 2.563 -7.163 -2.502 1.00 0.00 N ATOM 735 CA TRP B 49 2.516 -8.184 -1.471 1.00 0.00 C ATOM 736 C TRP B 49 3.490 -9.312 -1.779 1.00 0.00 C ATOM 737 O TRP B 49 3.725 -9.653 -2.941 1.00 0.00 O ATOM 738 CB TRP B 49 1.090 -8.731 -1.293 1.00 0.00 C ATOM 739 CG TRP B 49 0.539 -9.474 -2.479 1.00 0.00 C ATOM 740 CD1 TRP B 49 0.470 -10.829 -2.634 1.00 0.00 C ATOM 741 CD2 TRP B 49 -0.034 -8.906 -3.664 1.00 0.00 C ATOM 742 NE1 TRP B 49 -0.112 -11.138 -3.839 1.00 0.00 N ATOM 743 CE2 TRP B 49 -0.427 -9.974 -4.491 1.00 0.00 C ATOM 744 CE3 TRP B 49 -0.253 -7.598 -4.105 1.00 0.00 C ATOM 745 CZ2 TRP B 49 -1.026 -9.774 -5.733 1.00 0.00 C ATOM 746 CZ3 TRP B 49 -0.846 -7.401 -5.337 1.00 0.00 C ATOM 747 CH2 TRP B 49 -1.228 -8.483 -6.138 1.00 0.00 C ATOM 0 H TRP B 49 2.634 -7.523 -3.454 1.00 0.00 H new ATOM 0 HA TRP B 49 2.817 -7.720 -0.532 1.00 0.00 H new ATOM 0 HB2 TRP B 49 1.078 -9.396 -0.430 1.00 0.00 H new ATOM 0 HB3 TRP B 49 0.424 -7.899 -1.064 1.00 0.00 H new ATOM 0 HD1 TRP B 49 0.822 -11.553 -1.914 1.00 0.00 H new ATOM 0 HE1 TRP B 49 -0.282 -12.080 -4.191 1.00 0.00 H new ATOM 0 HE3 TRP B 49 0.036 -6.756 -3.493 1.00 0.00 H new ATOM 0 HZ2 TRP B 49 -1.320 -10.608 -6.353 1.00 0.00 H new ATOM 0 HZ3 TRP B 49 -1.018 -6.394 -5.688 1.00 0.00 H new ATOM 0 HH2 TRP B 49 -1.692 -8.295 -7.095 1.00 0.00 H new ATOM 758 N ARG B 50 4.078 -9.861 -0.731 1.00 0.00 N ATOM 759 CA ARG B 50 5.010 -10.965 -0.864 1.00 0.00 C ATOM 760 C ARG B 50 4.717 -12.009 0.209 1.00 0.00 C ATOM 761 O ARG B 50 4.717 -11.693 1.400 1.00 0.00 O ATOM 762 CB ARG B 50 6.450 -10.447 -0.751 1.00 0.00 C ATOM 763 CG ARG B 50 7.529 -11.455 -1.138 1.00 0.00 C ATOM 764 CD ARG B 50 7.939 -12.336 0.031 1.00 0.00 C ATOM 765 NE ARG B 50 8.489 -11.554 1.139 1.00 0.00 N ATOM 766 CZ ARG B 50 9.052 -12.090 2.219 1.00 0.00 C ATOM 767 NH1 ARG B 50 9.165 -13.410 2.328 1.00 0.00 N ATOM 768 NH2 ARG B 50 9.513 -11.305 3.187 1.00 0.00 N ATOM 0 H ARG B 50 3.924 -9.556 0.230 1.00 0.00 H new ATOM 0 HA ARG B 50 4.893 -11.431 -1.842 1.00 0.00 H new ATOM 0 HB2 ARG B 50 6.554 -9.565 -1.383 1.00 0.00 H new ATOM 0 HB3 ARG B 50 6.625 -10.126 0.276 1.00 0.00 H new ATOM 0 HG2 ARG B 50 7.163 -12.081 -1.952 1.00 0.00 H new ATOM 0 HG3 ARG B 50 8.403 -10.923 -1.513 1.00 0.00 H new ATOM 0 HD2 ARG B 50 7.075 -12.901 0.380 1.00 0.00 H new ATOM 0 HD3 ARG B 50 8.680 -13.062 -0.304 1.00 0.00 H new ATOM 0 HE ARG B 50 8.438 -10.537 1.080 1.00 0.00 H new ATOM 0 HH11 ARG B 50 8.820 -14.015 1.583 1.00 0.00 H new ATOM 0 HH12 ARG B 50 9.597 -13.818 3.157 1.00 0.00 H new ATOM 0 HH21 ARG B 50 9.435 -10.292 3.102 1.00 0.00 H new ATOM 0 HH22 ARG B 50 9.945 -11.716 4.015 1.00 0.00 H new ATOM 782 N PRO B 51 4.435 -13.256 -0.200 1.00 0.00 N ATOM 783 CA PRO B 51 4.151 -14.352 0.732 1.00 0.00 C ATOM 784 C PRO B 51 5.368 -14.715 1.577 1.00 0.00 C ATOM 785 O PRO B 51 6.449 -14.944 1.045 1.00 0.00 O ATOM 786 CB PRO B 51 3.777 -15.527 -0.180 1.00 0.00 C ATOM 787 CG PRO B 51 3.524 -14.934 -1.524 1.00 0.00 C ATOM 788 CD PRO B 51 4.366 -13.697 -1.602 1.00 0.00 C ATOM 0 HA PRO B 51 3.368 -14.083 1.441 1.00 0.00 H new ATOM 0 HB2 PRO B 51 4.582 -16.261 -0.222 1.00 0.00 H new ATOM 0 HB3 PRO B 51 2.893 -16.044 0.192 1.00 0.00 H new ATOM 0 HG2 PRO B 51 3.789 -15.636 -2.315 1.00 0.00 H new ATOM 0 HG3 PRO B 51 2.468 -14.695 -1.651 1.00 0.00 H new ATOM 0 HD2 PRO B 51 5.355 -13.907 -2.008 1.00 0.00 H new ATOM 0 HD3 PRO B 51 3.913 -12.940 -2.242 1.00 0.00 H new ATOM 796 N LYS B 52 5.182 -14.779 2.890 1.00 0.00 N ATOM 797 CA LYS B 52 6.276 -15.075 3.813 1.00 0.00 C ATOM 798 C LYS B 52 6.725 -16.524 3.700 1.00 0.00 C ATOM 799 O LYS B 52 7.874 -16.849 3.997 1.00 0.00 O ATOM 800 CB LYS B 52 5.855 -14.759 5.248 1.00 0.00 C ATOM 801 CG LYS B 52 5.744 -13.269 5.520 1.00 0.00 C ATOM 802 CD LYS B 52 7.114 -12.617 5.629 1.00 0.00 C ATOM 803 CE LYS B 52 7.700 -12.778 7.020 1.00 0.00 C ATOM 804 NZ LYS B 52 6.829 -12.163 8.054 1.00 0.00 N ATOM 0 H LYS B 52 4.280 -14.629 3.343 1.00 0.00 H new ATOM 0 HA LYS B 52 7.122 -14.444 3.542 1.00 0.00 H new ATOM 0 HB2 LYS B 52 4.894 -15.232 5.451 1.00 0.00 H new ATOM 0 HB3 LYS B 52 6.578 -15.196 5.937 1.00 0.00 H new ATOM 0 HG2 LYS B 52 5.177 -12.794 4.720 1.00 0.00 H new ATOM 0 HG3 LYS B 52 5.189 -13.107 6.444 1.00 0.00 H new ATOM 0 HD2 LYS B 52 7.788 -13.060 4.896 1.00 0.00 H new ATOM 0 HD3 LYS B 52 7.033 -11.557 5.388 1.00 0.00 H new ATOM 0 HE2 LYS B 52 7.834 -13.837 7.239 1.00 0.00 H new ATOM 0 HE3 LYS B 52 8.688 -12.318 7.055 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 7.399 -11.922 8.890 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 6.393 -11.300 7.672 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 6.084 -12.836 8.325 1.00 0.00 H new ATOM 818 N ASN B 53 5.822 -17.394 3.260 1.00 0.00 N ATOM 819 CA ASN B 53 6.171 -18.794 3.017 1.00 0.00 C ATOM 820 C ASN B 53 6.951 -18.938 1.710 1.00 0.00 C ATOM 821 O ASN B 53 7.259 -20.046 1.273 1.00 0.00 O ATOM 822 CB ASN B 53 4.919 -19.690 2.996 1.00 0.00 C ATOM 823 CG ASN B 53 4.101 -19.619 1.709 1.00 0.00 C ATOM 824 OD1 ASN B 53 3.479 -20.602 1.306 1.00 0.00 O ATOM 825 ND2 ASN B 53 4.078 -18.467 1.058 1.00 0.00 N ATOM 0 H ASN B 53 4.849 -17.159 3.065 1.00 0.00 H new ATOM 0 HA ASN B 53 6.805 -19.123 3.840 1.00 0.00 H new ATOM 0 HB2 ASN B 53 5.226 -20.723 3.158 1.00 0.00 H new ATOM 0 HB3 ASN B 53 4.278 -19.414 3.833 1.00 0.00 H new ATOM 0 HD21 ASN B 53 3.535 -18.377 0.199 1.00 0.00 H new ATOM 0 HD22 ASN B 53 4.603 -17.669 1.415 1.00 0.00 H new ATOM 832 N SER B 54 7.266 -17.806 1.094 1.00 0.00 N ATOM 833 CA SER B 54 8.013 -17.783 -0.150 1.00 0.00 C ATOM 834 C SER B 54 9.140 -16.759 -0.062 1.00 0.00 C ATOM 835 O SER B 54 9.034 -15.764 0.657 1.00 0.00 O ATOM 836 CB SER B 54 7.082 -17.444 -1.316 1.00 0.00 C ATOM 837 OG SER B 54 5.989 -18.349 -1.381 1.00 0.00 O ATOM 0 H SER B 54 7.010 -16.883 1.444 1.00 0.00 H new ATOM 0 HA SER B 54 8.445 -18.769 -0.322 1.00 0.00 H new ATOM 0 HB2 SER B 54 6.709 -16.426 -1.202 1.00 0.00 H new ATOM 0 HB3 SER B 54 7.640 -17.476 -2.252 1.00 0.00 H new ATOM 0 HG SER B 54 5.409 -18.108 -2.134 1.00 0.00 H new ATOM 843 N VAL B 55 10.217 -17.006 -0.787 1.00 0.00 N ATOM 844 CA VAL B 55 11.357 -16.100 -0.796 1.00 0.00 C ATOM 845 C VAL B 55 11.615 -15.585 -2.207 1.00 0.00 C ATOM 846 O VAL B 55 12.738 -15.227 -2.556 1.00 0.00 O ATOM 847 CB VAL B 55 12.632 -16.786 -0.255 1.00 0.00 C ATOM 848 CG1 VAL B 55 12.480 -17.114 1.223 1.00 0.00 C ATOM 849 CG2 VAL B 55 12.952 -18.046 -1.051 1.00 0.00 C ATOM 0 H VAL B 55 10.328 -17.829 -1.380 1.00 0.00 H new ATOM 0 HA VAL B 55 11.114 -15.263 -0.141 1.00 0.00 H new ATOM 0 HB VAL B 55 13.463 -16.090 -0.370 1.00 0.00 H new ATOM 0 HG11 VAL B 55 13.388 -17.596 1.584 1.00 0.00 H new ATOM 0 HG12 VAL B 55 12.310 -16.195 1.784 1.00 0.00 H new ATOM 0 HG13 VAL B 55 11.633 -17.786 1.361 1.00 0.00 H new ATOM 0 HG21 VAL B 55 13.853 -18.510 -0.651 1.00 0.00 H new ATOM 0 HG22 VAL B 55 12.119 -18.745 -0.975 1.00 0.00 H new ATOM 0 HG23 VAL B 55 13.112 -17.785 -2.097 1.00 0.00 H new ATOM 859 N GLY B 56 10.561 -15.547 -3.010 1.00 0.00 N ATOM 860 CA GLY B 56 10.697 -15.155 -4.397 1.00 0.00 C ATOM 861 C GLY B 56 10.572 -13.661 -4.609 1.00 0.00 C ATOM 862 O GLY B 56 11.360 -12.879 -4.078 1.00 0.00 O ATOM 0 H GLY B 56 9.611 -15.782 -2.723 1.00 0.00 H new ATOM 0 HA2 GLY B 56 11.666 -15.489 -4.769 1.00 0.00 H new ATOM 0 HA3 GLY B 56 9.936 -15.664 -4.988 1.00 0.00 H new ATOM 866 N ARG B 57 9.570 -13.264 -5.377 1.00 0.00 N ATOM 867 CA ARG B 57 9.416 -11.872 -5.777 1.00 0.00 C ATOM 868 C ARG B 57 8.143 -11.264 -5.205 1.00 0.00 C ATOM 869 O ARG B 57 7.206 -11.979 -4.837 1.00 0.00 O ATOM 870 CB ARG B 57 9.381 -11.773 -7.300 1.00 0.00 C ATOM 871 CG ARG B 57 10.672 -12.206 -7.974 1.00 0.00 C ATOM 872 CD ARG B 57 10.534 -12.180 -9.485 1.00 0.00 C ATOM 873 NE ARG B 57 9.528 -13.133 -9.953 1.00 0.00 N ATOM 874 CZ ARG B 57 8.582 -12.851 -10.849 1.00 0.00 C ATOM 875 NH1 ARG B 57 8.502 -11.639 -11.388 1.00 0.00 N ATOM 876 NH2 ARG B 57 7.712 -13.789 -11.203 1.00 0.00 N ATOM 0 H ARG B 57 8.848 -13.888 -5.738 1.00 0.00 H new ATOM 0 HA ARG B 57 10.268 -11.316 -5.384 1.00 0.00 H new ATOM 0 HB2 ARG B 57 8.563 -12.387 -7.676 1.00 0.00 H new ATOM 0 HB3 ARG B 57 9.163 -10.743 -7.583 1.00 0.00 H new ATOM 0 HG2 ARG B 57 11.484 -11.547 -7.668 1.00 0.00 H new ATOM 0 HG3 ARG B 57 10.937 -13.211 -7.647 1.00 0.00 H new ATOM 0 HD2 ARG B 57 10.262 -11.175 -9.808 1.00 0.00 H new ATOM 0 HD3 ARG B 57 11.496 -12.412 -9.942 1.00 0.00 H new ATOM 0 HE ARG B 57 9.552 -14.077 -9.568 1.00 0.00 H new ATOM 0 HH11 ARG B 57 9.168 -10.915 -11.117 1.00 0.00 H new ATOM 0 HH12 ARG B 57 7.775 -11.432 -12.073 1.00 0.00 H new ATOM 0 HH21 ARG B 57 7.769 -14.720 -10.790 1.00 0.00 H new ATOM 0 HH22 ARG B 57 6.986 -13.579 -11.888 1.00 0.00 H new ATOM 890 N TRP B 58 8.121 -9.941 -5.134 1.00 0.00 N ATOM 891 CA TRP B 58 6.939 -9.206 -4.708 1.00 0.00 C ATOM 892 C TRP B 58 5.962 -9.072 -5.868 1.00 0.00 C ATOM 893 O TRP B 58 6.374 -8.845 -7.008 1.00 0.00 O ATOM 894 CB TRP B 58 7.324 -7.811 -4.205 1.00 0.00 C ATOM 895 CG TRP B 58 7.997 -7.807 -2.868 1.00 0.00 C ATOM 896 CD1 TRP B 58 9.238 -8.287 -2.564 1.00 0.00 C ATOM 897 CD2 TRP B 58 7.461 -7.278 -1.650 1.00 0.00 C ATOM 898 NE1 TRP B 58 9.501 -8.099 -1.228 1.00 0.00 N ATOM 899 CE2 TRP B 58 8.426 -7.482 -0.646 1.00 0.00 C ATOM 900 CE3 TRP B 58 6.256 -6.658 -1.310 1.00 0.00 C ATOM 901 CZ2 TRP B 58 8.222 -7.084 0.672 1.00 0.00 C ATOM 902 CZ3 TRP B 58 6.056 -6.263 -0.003 1.00 0.00 C ATOM 903 CH2 TRP B 58 7.034 -6.477 0.975 1.00 0.00 C ATOM 0 H TRP B 58 8.918 -9.349 -5.369 1.00 0.00 H new ATOM 0 HA TRP B 58 6.467 -9.758 -3.895 1.00 0.00 H new ATOM 0 HB2 TRP B 58 7.986 -7.344 -4.934 1.00 0.00 H new ATOM 0 HB3 TRP B 58 6.426 -7.196 -4.149 1.00 0.00 H new ATOM 0 HD1 TRP B 58 9.914 -8.747 -3.270 1.00 0.00 H new ATOM 0 HE1 TRP B 58 10.358 -8.374 -0.748 1.00 0.00 H new ATOM 0 HE3 TRP B 58 5.494 -6.491 -2.057 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 8.975 -7.249 1.429 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 5.129 -5.781 0.270 1.00 0.00 H new ATOM 0 HH2 TRP B 58 6.847 -6.157 1.989 1.00 0.00 H new ATOM 914 N LYS B 59 4.681 -9.223 -5.581 1.00 0.00 N ATOM 915 CA LYS B 59 3.650 -9.058 -6.596 1.00 0.00 C ATOM 916 C LYS B 59 3.098 -7.640 -6.538 1.00 0.00 C ATOM 917 O LYS B 59 2.870 -7.105 -5.452 1.00 0.00 O ATOM 918 CB LYS B 59 2.528 -10.078 -6.392 1.00 0.00 C ATOM 919 CG LYS B 59 3.005 -11.519 -6.417 1.00 0.00 C ATOM 920 CD LYS B 59 1.842 -12.490 -6.305 1.00 0.00 C ATOM 921 CE LYS B 59 2.314 -13.933 -6.312 1.00 0.00 C ATOM 922 NZ LYS B 59 3.063 -14.271 -7.552 1.00 0.00 N ATOM 0 H LYS B 59 4.328 -9.460 -4.654 1.00 0.00 H new ATOM 0 HA LYS B 59 4.089 -9.229 -7.579 1.00 0.00 H new ATOM 0 HB2 LYS B 59 2.039 -9.882 -5.437 1.00 0.00 H new ATOM 0 HB3 LYS B 59 1.776 -9.939 -7.169 1.00 0.00 H new ATOM 0 HG2 LYS B 59 3.550 -11.707 -7.342 1.00 0.00 H new ATOM 0 HG3 LYS B 59 3.702 -11.687 -5.596 1.00 0.00 H new ATOM 0 HD2 LYS B 59 1.290 -12.292 -5.386 1.00 0.00 H new ATOM 0 HD3 LYS B 59 1.152 -12.329 -7.133 1.00 0.00 H new ATOM 0 HE2 LYS B 59 2.950 -14.110 -5.445 1.00 0.00 H new ATOM 0 HE3 LYS B 59 1.454 -14.596 -6.217 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 3.175 -15.303 -7.620 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 2.538 -13.924 -8.380 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 4.001 -13.823 -7.524 1.00 0.00 H new ATOM 936 N GLU B 60 2.898 -7.031 -7.699 1.00 0.00 N ATOM 937 CA GLU B 60 2.482 -5.637 -7.763 1.00 0.00 C ATOM 938 C GLU B 60 1.114 -5.493 -8.422 1.00 0.00 C ATOM 939 O GLU B 60 0.795 -6.199 -9.379 1.00 0.00 O ATOM 940 CB GLU B 60 3.508 -4.810 -8.541 1.00 0.00 C ATOM 941 CG GLU B 60 4.931 -4.949 -8.026 1.00 0.00 C ATOM 942 CD GLU B 60 5.899 -4.040 -8.747 1.00 0.00 C ATOM 943 OE1 GLU B 60 6.762 -4.550 -9.492 1.00 0.00 O ATOM 944 OE2 GLU B 60 5.800 -2.806 -8.578 1.00 0.00 O ATOM 0 H GLU B 60 3.017 -7.479 -8.607 1.00 0.00 H new ATOM 0 HA GLU B 60 2.414 -5.269 -6.739 1.00 0.00 H new ATOM 0 HB2 GLU B 60 3.481 -5.108 -9.589 1.00 0.00 H new ATOM 0 HB3 GLU B 60 3.219 -3.760 -8.501 1.00 0.00 H new ATOM 0 HG2 GLU B 60 4.952 -4.724 -6.960 1.00 0.00 H new ATOM 0 HG3 GLU B 60 5.256 -5.983 -8.140 1.00 0.00 H new ATOM 951 N ALA B 61 0.309 -4.587 -7.892 1.00 0.00 N ATOM 952 CA ALA B 61 -0.964 -4.233 -8.497 1.00 0.00 C ATOM 953 C ALA B 61 -1.102 -2.718 -8.544 1.00 0.00 C ATOM 954 O ALA B 61 -0.822 -2.036 -7.558 1.00 0.00 O ATOM 955 CB ALA B 61 -2.118 -4.851 -7.723 1.00 0.00 C ATOM 0 H ALA B 61 0.519 -4.078 -7.033 1.00 0.00 H new ATOM 0 HA ALA B 61 -0.994 -4.626 -9.513 1.00 0.00 H new ATOM 0 HB1 ALA B 61 -3.061 -4.573 -8.193 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -2.017 -5.936 -7.725 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -2.103 -4.487 -6.696 1.00 0.00 H new ATOM 961 N THR B 62 -1.521 -2.191 -9.683 1.00 0.00 N ATOM 962 CA THR B 62 -1.616 -0.752 -9.859 1.00 0.00 C ATOM 963 C THR B 62 -3.073 -0.298 -9.874 1.00 0.00 C ATOM 964 O THR B 62 -3.850 -0.680 -10.753 1.00 0.00 O ATOM 965 CB THR B 62 -0.926 -0.316 -11.164 1.00 0.00 C ATOM 966 OG1 THR B 62 0.338 -0.981 -11.287 1.00 0.00 O ATOM 967 CG2 THR B 62 -0.710 1.190 -11.183 1.00 0.00 C ATOM 0 H THR B 62 -1.800 -2.737 -10.498 1.00 0.00 H new ATOM 0 HA THR B 62 -1.111 -0.282 -9.015 1.00 0.00 H new ATOM 0 HB THR B 62 -1.569 -0.587 -12.001 1.00 0.00 H new ATOM 0 HG1 THR B 62 0.774 -0.703 -12.119 1.00 0.00 H new ATOM 0 HG21 THR B 62 -0.221 1.476 -12.114 1.00 0.00 H new ATOM 0 HG22 THR B 62 -1.672 1.697 -11.108 1.00 0.00 H new ATOM 0 HG23 THR B 62 -0.082 1.478 -10.340 1.00 0.00 H new ATOM 975 N ILE B 63 -3.436 0.517 -8.898 1.00 0.00 N ATOM 976 CA ILE B 63 -4.798 1.009 -8.768 1.00 0.00 C ATOM 977 C ILE B 63 -4.853 2.501 -9.102 1.00 0.00 C ATOM 978 O ILE B 63 -4.013 3.273 -8.641 1.00 0.00 O ATOM 979 CB ILE B 63 -5.346 0.787 -7.332 1.00 0.00 C ATOM 980 CG1 ILE B 63 -5.330 -0.699 -6.949 1.00 0.00 C ATOM 981 CG2 ILE B 63 -6.756 1.338 -7.204 1.00 0.00 C ATOM 982 CD1 ILE B 63 -4.014 -1.177 -6.369 1.00 0.00 C ATOM 0 H ILE B 63 -2.799 0.855 -8.177 1.00 0.00 H new ATOM 0 HA ILE B 63 -5.419 0.449 -9.467 1.00 0.00 H new ATOM 0 HB ILE B 63 -4.691 1.324 -6.646 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -6.122 -0.884 -6.224 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -5.562 -1.293 -7.833 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -7.121 1.172 -6.190 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -6.750 2.407 -7.417 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -7.411 0.831 -7.913 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -4.087 -2.237 -6.125 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -3.219 -1.027 -7.099 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.788 -0.612 -5.465 1.00 0.00 H new ATOM 994 N PRO B 64 -5.819 2.911 -9.948 1.00 0.00 N ATOM 995 CA PRO B 64 -6.050 4.327 -10.282 1.00 0.00 C ATOM 996 C PRO B 64 -6.200 5.200 -9.040 1.00 0.00 C ATOM 997 O PRO B 64 -6.754 4.756 -8.030 1.00 0.00 O ATOM 998 CB PRO B 64 -7.372 4.293 -11.058 1.00 0.00 C ATOM 999 CG PRO B 64 -7.420 2.933 -11.656 1.00 0.00 C ATOM 1000 CD PRO B 64 -6.752 2.022 -10.665 1.00 0.00 C ATOM 0 HA PRO B 64 -5.215 4.754 -10.838 1.00 0.00 H new ATOM 0 HB2 PRO B 64 -8.223 4.467 -10.399 1.00 0.00 H new ATOM 0 HB3 PRO B 64 -7.401 5.065 -11.827 1.00 0.00 H new ATOM 0 HG2 PRO B 64 -8.449 2.623 -11.839 1.00 0.00 H new ATOM 0 HG3 PRO B 64 -6.905 2.910 -12.616 1.00 0.00 H new ATOM 0 HD2 PRO B 64 -7.475 1.569 -9.987 1.00 0.00 H new ATOM 0 HD3 PRO B 64 -6.226 1.206 -11.162 1.00 0.00 H new ATOM 1008 N GLY B 65 -5.705 6.437 -9.120 1.00 0.00 N ATOM 1009 CA GLY B 65 -5.861 7.389 -8.028 1.00 0.00 C ATOM 1010 C GLY B 65 -7.297 7.850 -7.891 1.00 0.00 C ATOM 1011 O GLY B 65 -7.610 9.027 -8.071 1.00 0.00 O ATOM 0 H GLY B 65 -5.196 6.798 -9.927 1.00 0.00 H new ATOM 0 HA2 GLY B 65 -5.535 6.930 -7.095 1.00 0.00 H new ATOM 0 HA3 GLY B 65 -5.217 8.251 -8.201 1.00 0.00 H new ATOM 1015 N HIS B 66 -8.160 6.906 -7.559 1.00 0.00 N ATOM 1016 CA HIS B 66 -9.596 7.110 -7.536 1.00 0.00 C ATOM 1017 C HIS B 66 -10.268 5.913 -6.867 1.00 0.00 C ATOM 1018 O HIS B 66 -11.379 6.014 -6.345 1.00 0.00 O ATOM 1019 CB HIS B 66 -10.108 7.302 -8.973 1.00 0.00 C ATOM 1020 CG HIS B 66 -11.598 7.284 -9.118 1.00 0.00 C ATOM 1021 ND1 HIS B 66 -12.397 8.389 -8.921 1.00 0.00 N ATOM 1022 CD2 HIS B 66 -12.433 6.276 -9.456 1.00 0.00 C ATOM 1023 CE1 HIS B 66 -13.658 8.058 -9.129 1.00 0.00 C ATOM 1024 NE2 HIS B 66 -13.707 6.781 -9.455 1.00 0.00 N ATOM 0 H HIS B 66 -7.878 5.962 -7.294 1.00 0.00 H new ATOM 0 HA HIS B 66 -9.839 8.005 -6.963 1.00 0.00 H new ATOM 0 HB2 HIS B 66 -9.732 8.252 -9.354 1.00 0.00 H new ATOM 0 HB3 HIS B 66 -9.687 6.517 -9.601 1.00 0.00 H new ATOM 0 HD2 HIS B 66 -12.148 5.260 -9.685 1.00 0.00 H new ATOM 0 HE1 HIS B 66 -14.506 8.721 -9.046 1.00 0.00 H new ATOM 0 HE2 HIS B 66 -14.554 6.255 -9.671 1.00 0.00 H new ATOM 1033 N LEU B 67 -9.588 4.773 -6.895 1.00 0.00 N ATOM 1034 CA LEU B 67 -10.087 3.577 -6.235 1.00 0.00 C ATOM 1035 C LEU B 67 -9.320 3.350 -4.944 1.00 0.00 C ATOM 1036 O LEU B 67 -8.107 3.549 -4.893 1.00 0.00 O ATOM 1037 CB LEU B 67 -9.940 2.348 -7.135 1.00 0.00 C ATOM 1038 CG LEU B 67 -10.489 2.493 -8.553 1.00 0.00 C ATOM 1039 CD1 LEU B 67 -10.351 1.185 -9.312 1.00 0.00 C ATOM 1040 CD2 LEU B 67 -11.940 2.939 -8.519 1.00 0.00 C ATOM 0 H LEU B 67 -8.692 4.654 -7.367 1.00 0.00 H new ATOM 0 HA LEU B 67 -11.146 3.723 -6.020 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -8.882 2.093 -7.200 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -10.442 1.508 -6.655 1.00 0.00 H new ATOM 0 HG LEU B 67 -9.908 3.255 -9.072 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -10.747 1.306 -10.320 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -9.299 0.905 -9.366 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -10.908 0.404 -8.795 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -12.314 3.037 -9.538 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -12.535 2.200 -7.983 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -12.013 3.901 -8.011 1.00 0.00 H new ATOM 1052 N ASN B 68 -10.021 2.940 -3.906 1.00 0.00 N ATOM 1053 CA ASN B 68 -9.391 2.690 -2.619 1.00 0.00 C ATOM 1054 C ASN B 68 -9.679 1.274 -2.150 1.00 0.00 C ATOM 1055 O ASN B 68 -9.548 0.954 -0.968 1.00 0.00 O ATOM 1056 CB ASN B 68 -9.869 3.700 -1.571 1.00 0.00 C ATOM 1057 CG ASN B 68 -11.335 3.544 -1.212 1.00 0.00 C ATOM 1058 OD1 ASN B 68 -12.172 3.216 -2.057 1.00 0.00 O ATOM 1059 ND2 ASN B 68 -11.652 3.752 0.055 1.00 0.00 N ATOM 0 H ASN B 68 -11.027 2.772 -3.925 1.00 0.00 H new ATOM 0 HA ASN B 68 -8.314 2.806 -2.743 1.00 0.00 H new ATOM 0 HB2 ASN B 68 -9.267 3.589 -0.669 1.00 0.00 H new ATOM 0 HB3 ASN B 68 -9.699 4.709 -1.945 1.00 0.00 H new ATOM 0 HD21 ASN B 68 -12.618 3.642 0.364 1.00 0.00 H new ATOM 0 HD22 ASN B 68 -10.931 4.022 0.723 1.00 0.00 H new ATOM 1066 N SER B 69 -10.071 0.424 -3.086 1.00 0.00 N ATOM 1067 CA SER B 69 -10.382 -0.957 -2.774 1.00 0.00 C ATOM 1068 C SER B 69 -9.892 -1.872 -3.887 1.00 0.00 C ATOM 1069 O SER B 69 -10.113 -1.597 -5.070 1.00 0.00 O ATOM 1070 CB SER B 69 -11.892 -1.125 -2.583 1.00 0.00 C ATOM 1071 OG SER B 69 -12.222 -2.448 -2.200 1.00 0.00 O ATOM 0 H SER B 69 -10.181 0.670 -4.070 1.00 0.00 H new ATOM 0 HA SER B 69 -9.875 -1.229 -1.848 1.00 0.00 H new ATOM 0 HB2 SER B 69 -12.244 -0.427 -1.824 1.00 0.00 H new ATOM 0 HB3 SER B 69 -12.407 -0.874 -3.510 1.00 0.00 H new ATOM 0 HG SER B 69 -13.192 -2.523 -2.084 1.00 0.00 H new ATOM 1077 N TYR B 70 -9.222 -2.947 -3.506 1.00 0.00 N ATOM 1078 CA TYR B 70 -8.743 -3.927 -4.465 1.00 0.00 C ATOM 1079 C TYR B 70 -8.928 -5.333 -3.910 1.00 0.00 C ATOM 1080 O TYR B 70 -8.666 -5.584 -2.736 1.00 0.00 O ATOM 1081 CB TYR B 70 -7.264 -3.673 -4.793 1.00 0.00 C ATOM 1082 CG TYR B 70 -6.711 -4.575 -5.876 1.00 0.00 C ATOM 1083 CD1 TYR B 70 -7.032 -4.367 -7.212 1.00 0.00 C ATOM 1084 CD2 TYR B 70 -5.864 -5.632 -5.563 1.00 0.00 C ATOM 1085 CE1 TYR B 70 -6.527 -5.186 -8.204 1.00 0.00 C ATOM 1086 CE2 TYR B 70 -5.355 -6.454 -6.549 1.00 0.00 C ATOM 1087 CZ TYR B 70 -5.690 -6.227 -7.867 1.00 0.00 C ATOM 1088 OH TYR B 70 -5.183 -7.045 -8.853 1.00 0.00 O ATOM 0 H TYR B 70 -8.997 -3.163 -2.535 1.00 0.00 H new ATOM 0 HA TYR B 70 -9.322 -3.833 -5.384 1.00 0.00 H new ATOM 0 HB2 TYR B 70 -7.144 -2.635 -5.102 1.00 0.00 H new ATOM 0 HB3 TYR B 70 -6.673 -3.806 -3.887 1.00 0.00 H new ATOM 0 HD1 TYR B 70 -7.687 -3.551 -7.480 1.00 0.00 H new ATOM 0 HD2 TYR B 70 -5.600 -5.813 -4.532 1.00 0.00 H new ATOM 0 HE1 TYR B 70 -6.787 -5.011 -9.238 1.00 0.00 H new ATOM 0 HE2 TYR B 70 -4.698 -7.271 -6.289 1.00 0.00 H new ATOM 0 HH TYR B 70 -4.610 -7.729 -8.448 1.00 0.00 H new ATOM 1098 N THR B 71 -9.399 -6.242 -4.743 1.00 0.00 N ATOM 1099 CA THR B 71 -9.566 -7.624 -4.335 1.00 0.00 C ATOM 1100 C THR B 71 -8.402 -8.468 -4.848 1.00 0.00 C ATOM 1101 O THR B 71 -8.313 -8.765 -6.042 1.00 0.00 O ATOM 1102 CB THR B 71 -10.896 -8.200 -4.856 1.00 0.00 C ATOM 1103 OG1 THR B 71 -11.989 -7.364 -4.441 1.00 0.00 O ATOM 1104 CG2 THR B 71 -11.114 -9.619 -4.351 1.00 0.00 C ATOM 0 H THR B 71 -9.673 -6.048 -5.706 1.00 0.00 H new ATOM 0 HA THR B 71 -9.582 -7.653 -3.246 1.00 0.00 H new ATOM 0 HB THR B 71 -10.850 -8.226 -5.945 1.00 0.00 H new ATOM 0 HG1 THR B 71 -12.831 -7.736 -4.777 1.00 0.00 H new ATOM 0 HG21 THR B 71 -12.060 -10.000 -4.734 1.00 0.00 H new ATOM 0 HG22 THR B 71 -10.300 -10.257 -4.695 1.00 0.00 H new ATOM 0 HG23 THR B 71 -11.138 -9.618 -3.261 1.00 0.00 H new ATOM 1112 N ILE B 72 -7.500 -8.832 -3.947 1.00 0.00 N ATOM 1113 CA ILE B 72 -6.349 -9.643 -4.310 1.00 0.00 C ATOM 1114 C ILE B 72 -6.758 -11.104 -4.428 1.00 0.00 C ATOM 1115 O ILE B 72 -7.129 -11.738 -3.440 1.00 0.00 O ATOM 1116 CB ILE B 72 -5.204 -9.525 -3.282 1.00 0.00 C ATOM 1117 CG1 ILE B 72 -4.833 -8.059 -3.047 1.00 0.00 C ATOM 1118 CG2 ILE B 72 -3.990 -10.307 -3.762 1.00 0.00 C ATOM 1119 CD1 ILE B 72 -3.741 -7.870 -2.016 1.00 0.00 C ATOM 0 H ILE B 72 -7.544 -8.578 -2.960 1.00 0.00 H new ATOM 0 HA ILE B 72 -5.985 -9.271 -5.268 1.00 0.00 H new ATOM 0 HB ILE B 72 -5.545 -9.945 -2.336 1.00 0.00 H new ATOM 0 HG12 ILE B 72 -4.511 -7.618 -3.991 1.00 0.00 H new ATOM 0 HG13 ILE B 72 -5.721 -7.514 -2.728 1.00 0.00 H new ATOM 0 HG21 ILE B 72 -3.187 -10.218 -3.030 1.00 0.00 H new ATOM 0 HG22 ILE B 72 -4.257 -11.357 -3.881 1.00 0.00 H new ATOM 0 HG23 ILE B 72 -3.655 -9.907 -4.719 1.00 0.00 H new ATOM 0 HD11 ILE B 72 -3.529 -6.807 -1.901 1.00 0.00 H new ATOM 0 HD12 ILE B 72 -4.068 -8.281 -1.061 1.00 0.00 H new ATOM 0 HD13 ILE B 72 -2.838 -8.386 -2.343 1.00 0.00 H new ATOM 1131 N LYS B 73 -6.700 -11.623 -5.642 1.00 0.00 N ATOM 1132 CA LYS B 73 -7.102 -12.992 -5.908 1.00 0.00 C ATOM 1133 C LYS B 73 -5.882 -13.895 -6.000 1.00 0.00 C ATOM 1134 O LYS B 73 -4.833 -13.488 -6.506 1.00 0.00 O ATOM 1135 CB LYS B 73 -7.901 -13.051 -7.210 1.00 0.00 C ATOM 1136 CG LYS B 73 -9.130 -12.152 -7.207 1.00 0.00 C ATOM 1137 CD LYS B 73 -9.743 -12.046 -8.593 1.00 0.00 C ATOM 1138 CE LYS B 73 -10.917 -11.079 -8.612 1.00 0.00 C ATOM 1139 NZ LYS B 73 -12.097 -11.611 -7.881 1.00 0.00 N ATOM 0 H LYS B 73 -6.376 -11.113 -6.464 1.00 0.00 H new ATOM 0 HA LYS B 73 -7.729 -13.342 -5.088 1.00 0.00 H new ATOM 0 HB2 LYS B 73 -7.253 -12.765 -8.038 1.00 0.00 H new ATOM 0 HB3 LYS B 73 -8.213 -14.080 -7.390 1.00 0.00 H new ATOM 0 HG2 LYS B 73 -9.869 -12.546 -6.510 1.00 0.00 H new ATOM 0 HG3 LYS B 73 -8.855 -11.159 -6.852 1.00 0.00 H new ATOM 0 HD2 LYS B 73 -8.985 -11.714 -9.302 1.00 0.00 H new ATOM 0 HD3 LYS B 73 -10.076 -13.031 -8.921 1.00 0.00 H new ATOM 0 HE2 LYS B 73 -10.612 -10.132 -8.166 1.00 0.00 H new ATOM 0 HE3 LYS B 73 -11.196 -10.870 -9.645 1.00 0.00 H new ATOM 0 HZ1 LYS B 73 -12.883 -10.933 -7.950 1.00 0.00 H new ATOM 0 HZ2 LYS B 73 -12.385 -12.518 -8.300 1.00 0.00 H new ATOM 0 HZ3 LYS B 73 -11.850 -11.754 -6.881 1.00 0.00 H new ATOM 1153 N GLY B 74 -6.015 -15.113 -5.498 1.00 0.00 N ATOM 1154 CA GLY B 74 -4.930 -16.067 -5.573 1.00 0.00 C ATOM 1155 C GLY B 74 -4.075 -16.065 -4.325 1.00 0.00 C ATOM 1156 O GLY B 74 -2.868 -16.297 -4.393 1.00 0.00 O ATOM 0 H GLY B 74 -6.858 -15.458 -5.039 1.00 0.00 H new ATOM 0 HA2 GLY B 74 -5.338 -17.066 -5.730 1.00 0.00 H new ATOM 0 HA3 GLY B 74 -4.307 -15.838 -6.438 1.00 0.00 H new ATOM 1160 N LEU B 75 -4.692 -15.784 -3.187 1.00 0.00 N ATOM 1161 CA LEU B 75 -3.990 -15.819 -1.912 1.00 0.00 C ATOM 1162 C LEU B 75 -4.356 -17.079 -1.139 1.00 0.00 C ATOM 1163 O LEU B 75 -5.518 -17.462 -1.078 1.00 0.00 O ATOM 1164 CB LEU B 75 -4.318 -14.584 -1.064 1.00 0.00 C ATOM 1165 CG LEU B 75 -3.793 -13.245 -1.594 1.00 0.00 C ATOM 1166 CD1 LEU B 75 -4.027 -12.155 -0.565 1.00 0.00 C ATOM 1167 CD2 LEU B 75 -2.316 -13.340 -1.944 1.00 0.00 C ATOM 0 H LEU B 75 -5.677 -15.529 -3.120 1.00 0.00 H new ATOM 0 HA LEU B 75 -2.921 -15.821 -2.123 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -5.401 -14.513 -0.965 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -3.916 -14.738 -0.063 1.00 0.00 H new ATOM 0 HG LEU B 75 -4.337 -12.995 -2.505 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -3.651 -11.206 -0.948 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -5.095 -12.068 -0.364 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -3.503 -12.407 0.357 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -1.968 -12.377 -2.318 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -1.748 -13.611 -1.054 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -2.172 -14.100 -2.712 1.00 0.00 H new ATOM 1179 N LYS B 76 -3.359 -17.720 -0.559 1.00 0.00 N ATOM 1180 CA LYS B 76 -3.579 -18.902 0.261 1.00 0.00 C ATOM 1181 C LYS B 76 -4.007 -18.486 1.666 1.00 0.00 C ATOM 1182 O LYS B 76 -3.324 -17.690 2.313 1.00 0.00 O ATOM 1183 CB LYS B 76 -2.299 -19.734 0.343 1.00 0.00 C ATOM 1184 CG LYS B 76 -1.743 -20.144 -1.008 1.00 0.00 C ATOM 1185 CD LYS B 76 -0.376 -20.794 -0.868 1.00 0.00 C ATOM 1186 CE LYS B 76 0.222 -21.145 -2.221 1.00 0.00 C ATOM 1187 NZ LYS B 76 0.431 -19.944 -3.070 1.00 0.00 N ATOM 0 H LYS B 76 -2.381 -17.441 -0.640 1.00 0.00 H new ATOM 0 HA LYS B 76 -4.366 -19.503 -0.195 1.00 0.00 H new ATOM 0 HB2 LYS B 76 -1.540 -19.163 0.879 1.00 0.00 H new ATOM 0 HB3 LYS B 76 -2.497 -20.631 0.930 1.00 0.00 H new ATOM 0 HG2 LYS B 76 -2.430 -20.838 -1.491 1.00 0.00 H new ATOM 0 HG3 LYS B 76 -1.668 -19.269 -1.654 1.00 0.00 H new ATOM 0 HD2 LYS B 76 0.295 -20.119 -0.338 1.00 0.00 H new ATOM 0 HD3 LYS B 76 -0.463 -21.697 -0.263 1.00 0.00 H new ATOM 0 HE2 LYS B 76 1.174 -21.655 -2.074 1.00 0.00 H new ATOM 0 HE3 LYS B 76 -0.437 -21.843 -2.738 1.00 0.00 H new ATOM 0 HZ1 LYS B 76 1.047 -20.188 -3.871 1.00 0.00 H new ATOM 0 HZ2 LYS B 76 -0.486 -19.608 -3.428 1.00 0.00 H new ATOM 0 HZ3 LYS B 76 0.878 -19.193 -2.506 1.00 0.00 H new ATOM 1201 N PRO B 77 -5.144 -19.008 2.150 1.00 0.00 N ATOM 1202 CA PRO B 77 -5.666 -18.672 3.480 1.00 0.00 C ATOM 1203 C PRO B 77 -4.779 -19.207 4.604 1.00 0.00 C ATOM 1204 O PRO B 77 -4.495 -20.404 4.670 1.00 0.00 O ATOM 1205 CB PRO B 77 -7.040 -19.348 3.509 1.00 0.00 C ATOM 1206 CG PRO B 77 -6.952 -20.448 2.507 1.00 0.00 C ATOM 1207 CD PRO B 77 -6.012 -19.964 1.439 1.00 0.00 C ATOM 0 HA PRO B 77 -5.707 -17.595 3.640 1.00 0.00 H new ATOM 0 HB2 PRO B 77 -7.268 -19.736 4.502 1.00 0.00 H new ATOM 0 HB3 PRO B 77 -7.832 -18.644 3.253 1.00 0.00 H new ATOM 0 HG2 PRO B 77 -6.582 -21.365 2.966 1.00 0.00 H new ATOM 0 HG3 PRO B 77 -7.933 -20.674 2.089 1.00 0.00 H new ATOM 0 HD2 PRO B 77 -5.437 -20.784 1.009 1.00 0.00 H new ATOM 0 HD3 PRO B 77 -6.548 -19.486 0.619 1.00 0.00 H new ATOM 1215 N GLY B 78 -4.340 -18.313 5.478 1.00 0.00 N ATOM 1216 CA GLY B 78 -3.501 -18.707 6.593 1.00 0.00 C ATOM 1217 C GLY B 78 -2.055 -18.302 6.396 1.00 0.00 C ATOM 1218 O GLY B 78 -1.312 -18.113 7.361 1.00 0.00 O ATOM 0 H GLY B 78 -4.551 -17.316 5.435 1.00 0.00 H new ATOM 0 HA2 GLY B 78 -3.881 -18.254 7.509 1.00 0.00 H new ATOM 0 HA3 GLY B 78 -3.559 -19.788 6.724 1.00 0.00 H new ATOM 1222 N VAL B 79 -1.658 -18.165 5.142 1.00 0.00 N ATOM 1223 CA VAL B 79 -0.299 -17.769 4.810 1.00 0.00 C ATOM 1224 C VAL B 79 -0.098 -16.285 5.092 1.00 0.00 C ATOM 1225 O VAL B 79 -0.988 -15.474 4.846 1.00 0.00 O ATOM 1226 CB VAL B 79 0.019 -18.077 3.328 1.00 0.00 C ATOM 1227 CG1 VAL B 79 1.397 -17.581 2.938 1.00 0.00 C ATOM 1228 CG2 VAL B 79 -0.081 -19.566 3.064 1.00 0.00 C ATOM 0 H VAL B 79 -2.260 -18.323 4.334 1.00 0.00 H new ATOM 0 HA VAL B 79 0.385 -18.344 5.434 1.00 0.00 H new ATOM 0 HB VAL B 79 -0.717 -17.551 2.720 1.00 0.00 H new ATOM 0 HG11 VAL B 79 1.585 -17.815 1.890 1.00 0.00 H new ATOM 0 HG12 VAL B 79 1.450 -16.502 3.084 1.00 0.00 H new ATOM 0 HG13 VAL B 79 2.148 -18.068 3.559 1.00 0.00 H new ATOM 0 HG21 VAL B 79 0.146 -19.766 2.017 1.00 0.00 H new ATOM 0 HG22 VAL B 79 0.631 -20.096 3.697 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -1.091 -19.908 3.288 1.00 0.00 H new ATOM 1238 N VAL B 80 1.062 -15.938 5.627 1.00 0.00 N ATOM 1239 CA VAL B 80 1.359 -14.557 5.965 1.00 0.00 C ATOM 1240 C VAL B 80 1.907 -13.825 4.750 1.00 0.00 C ATOM 1241 O VAL B 80 2.736 -14.361 4.009 1.00 0.00 O ATOM 1242 CB VAL B 80 2.380 -14.465 7.117 1.00 0.00 C ATOM 1243 CG1 VAL B 80 2.570 -13.022 7.564 1.00 0.00 C ATOM 1244 CG2 VAL B 80 1.947 -15.337 8.281 1.00 0.00 C ATOM 0 H VAL B 80 1.813 -16.595 5.836 1.00 0.00 H new ATOM 0 HA VAL B 80 0.428 -14.091 6.289 1.00 0.00 H new ATOM 0 HB VAL B 80 3.340 -14.831 6.751 1.00 0.00 H new ATOM 0 HG11 VAL B 80 3.295 -12.985 8.377 1.00 0.00 H new ATOM 0 HG12 VAL B 80 2.934 -12.427 6.727 1.00 0.00 H new ATOM 0 HG13 VAL B 80 1.617 -12.619 7.909 1.00 0.00 H new ATOM 0 HG21 VAL B 80 2.679 -15.260 9.085 1.00 0.00 H new ATOM 0 HG22 VAL B 80 0.974 -15.004 8.643 1.00 0.00 H new ATOM 0 HG23 VAL B 80 1.877 -16.374 7.952 1.00 0.00 H new ATOM 1254 N TYR B 81 1.433 -12.610 4.533 1.00 0.00 N ATOM 1255 CA TYR B 81 1.903 -11.805 3.422 1.00 0.00 C ATOM 1256 C TYR B 81 2.399 -10.461 3.914 1.00 0.00 C ATOM 1257 O TYR B 81 1.850 -9.891 4.859 1.00 0.00 O ATOM 1258 CB TYR B 81 0.793 -11.595 2.391 1.00 0.00 C ATOM 1259 CG TYR B 81 0.232 -12.884 1.844 1.00 0.00 C ATOM 1260 CD1 TYR B 81 0.800 -13.499 0.738 1.00 0.00 C ATOM 1261 CD2 TYR B 81 -0.852 -13.498 2.451 1.00 0.00 C ATOM 1262 CE1 TYR B 81 0.303 -14.691 0.257 1.00 0.00 C ATOM 1263 CE2 TYR B 81 -1.356 -14.685 1.972 1.00 0.00 C ATOM 1264 CZ TYR B 81 -0.775 -15.277 0.879 1.00 0.00 C ATOM 1265 OH TYR B 81 -1.263 -16.469 0.418 1.00 0.00 O ATOM 0 H TYR B 81 0.723 -12.161 5.112 1.00 0.00 H new ATOM 0 HA TYR B 81 2.726 -12.340 2.947 1.00 0.00 H new ATOM 0 HB2 TYR B 81 -0.013 -11.021 2.848 1.00 0.00 H new ATOM 0 HB3 TYR B 81 1.182 -10.998 1.566 1.00 0.00 H new ATOM 0 HD1 TYR B 81 1.644 -13.037 0.247 1.00 0.00 H new ATOM 0 HD2 TYR B 81 -1.309 -13.037 3.314 1.00 0.00 H new ATOM 0 HE1 TYR B 81 0.757 -15.162 -0.602 1.00 0.00 H new ATOM 0 HE2 TYR B 81 -2.204 -15.148 2.454 1.00 0.00 H new ATOM 0 HH TYR B 81 -1.842 -16.871 1.099 1.00 0.00 H new ATOM 1275 N GLU B 82 3.429 -9.962 3.261 1.00 0.00 N ATOM 1276 CA GLU B 82 3.954 -8.644 3.553 1.00 0.00 C ATOM 1277 C GLU B 82 3.458 -7.683 2.495 1.00 0.00 C ATOM 1278 O GLU B 82 3.769 -7.842 1.314 1.00 0.00 O ATOM 1279 CB GLU B 82 5.482 -8.665 3.559 1.00 0.00 C ATOM 1280 CG GLU B 82 6.078 -9.573 4.618 1.00 0.00 C ATOM 1281 CD GLU B 82 5.802 -9.093 6.028 1.00 0.00 C ATOM 1282 OE1 GLU B 82 5.792 -7.863 6.246 1.00 0.00 O ATOM 1283 OE2 GLU B 82 5.622 -9.941 6.931 1.00 0.00 O ATOM 0 H GLU B 82 3.923 -10.455 2.517 1.00 0.00 H new ATOM 0 HA GLU B 82 3.614 -8.327 4.539 1.00 0.00 H new ATOM 0 HB2 GLU B 82 5.835 -8.985 2.579 1.00 0.00 H new ATOM 0 HB3 GLU B 82 5.849 -7.651 3.715 1.00 0.00 H new ATOM 0 HG2 GLU B 82 5.675 -10.578 4.496 1.00 0.00 H new ATOM 0 HG3 GLU B 82 7.155 -9.641 4.467 1.00 0.00 H new ATOM 1290 N GLY B 83 2.664 -6.713 2.907 1.00 0.00 N ATOM 1291 CA GLY B 83 2.069 -5.810 1.955 1.00 0.00 C ATOM 1292 C GLY B 83 2.517 -4.385 2.145 1.00 0.00 C ATOM 1293 O GLY B 83 2.768 -3.944 3.268 1.00 0.00 O ATOM 0 H GLY B 83 2.422 -6.536 3.882 1.00 0.00 H new ATOM 0 HA2 GLY B 83 2.322 -6.134 0.946 1.00 0.00 H new ATOM 0 HA3 GLY B 83 0.984 -5.860 2.043 1.00 0.00 H new ATOM 1297 N GLN B 84 2.632 -3.671 1.043 1.00 0.00 N ATOM 1298 CA GLN B 84 2.981 -2.265 1.069 1.00 0.00 C ATOM 1299 C GLN B 84 2.097 -1.497 0.100 1.00 0.00 C ATOM 1300 O GLN B 84 1.958 -1.884 -1.062 1.00 0.00 O ATOM 1301 CB GLN B 84 4.452 -2.057 0.701 1.00 0.00 C ATOM 1302 CG GLN B 84 5.425 -2.751 1.637 1.00 0.00 C ATOM 1303 CD GLN B 84 6.870 -2.424 1.318 1.00 0.00 C ATOM 1304 OE1 GLN B 84 7.439 -1.466 1.846 1.00 0.00 O ATOM 1305 NE2 GLN B 84 7.470 -3.215 0.447 1.00 0.00 N ATOM 0 H GLN B 84 2.487 -4.048 0.107 1.00 0.00 H new ATOM 0 HA GLN B 84 2.824 -1.893 2.081 1.00 0.00 H new ATOM 0 HB2 GLN B 84 4.617 -2.420 -0.313 1.00 0.00 H new ATOM 0 HB3 GLN B 84 4.667 -0.989 0.696 1.00 0.00 H new ATOM 0 HG2 GLN B 84 5.208 -2.458 2.664 1.00 0.00 H new ATOM 0 HG3 GLN B 84 5.278 -3.829 1.575 1.00 0.00 H new ATOM 0 HE21 GLN B 84 6.962 -3.997 0.034 1.00 0.00 H new ATOM 0 HE22 GLN B 84 8.442 -3.044 0.188 1.00 0.00 H new ATOM 1314 N LEU B 85 1.485 -0.434 0.589 1.00 0.00 N ATOM 1315 CA LEU B 85 0.689 0.440 -0.254 1.00 0.00 C ATOM 1316 C LEU B 85 1.518 1.662 -0.606 1.00 0.00 C ATOM 1317 O LEU B 85 1.747 2.533 0.235 1.00 0.00 O ATOM 1318 CB LEU B 85 -0.615 0.839 0.468 1.00 0.00 C ATOM 1319 CG LEU B 85 -1.693 1.550 -0.379 1.00 0.00 C ATOM 1320 CD1 LEU B 85 -1.337 3.007 -0.636 1.00 0.00 C ATOM 1321 CD2 LEU B 85 -1.911 0.822 -1.698 1.00 0.00 C ATOM 0 H LEU B 85 1.524 -0.154 1.569 1.00 0.00 H new ATOM 0 HA LEU B 85 0.409 -0.078 -1.171 1.00 0.00 H new ATOM 0 HB2 LEU B 85 -1.057 -0.062 0.893 1.00 0.00 H new ATOM 0 HB3 LEU B 85 -0.355 1.490 1.303 1.00 0.00 H new ATOM 0 HG LEU B 85 -2.620 1.528 0.193 1.00 0.00 H new ATOM 0 HD11 LEU B 85 -2.120 3.473 -1.235 1.00 0.00 H new ATOM 0 HD12 LEU B 85 -1.246 3.533 0.315 1.00 0.00 H new ATOM 0 HD13 LEU B 85 -0.389 3.061 -1.172 1.00 0.00 H new ATOM 0 HD21 LEU B 85 -2.674 1.341 -2.278 1.00 0.00 H new ATOM 0 HD22 LEU B 85 -0.978 0.803 -2.261 1.00 0.00 H new ATOM 0 HD23 LEU B 85 -2.237 -0.199 -1.500 1.00 0.00 H new ATOM 1333 N ILE B 86 1.999 1.704 -1.837 1.00 0.00 N ATOM 1334 CA ILE B 86 2.787 2.830 -2.300 1.00 0.00 C ATOM 1335 C ILE B 86 1.893 3.792 -3.066 1.00 0.00 C ATOM 1336 O ILE B 86 1.483 3.515 -4.192 1.00 0.00 O ATOM 1337 CB ILE B 86 3.972 2.410 -3.210 1.00 0.00 C ATOM 1338 CG1 ILE B 86 4.836 1.323 -2.554 1.00 0.00 C ATOM 1339 CG2 ILE B 86 4.835 3.622 -3.535 1.00 0.00 C ATOM 1340 CD1 ILE B 86 4.294 -0.083 -2.703 1.00 0.00 C ATOM 0 H ILE B 86 1.857 0.971 -2.532 1.00 0.00 H new ATOM 0 HA ILE B 86 3.209 3.306 -1.415 1.00 0.00 H new ATOM 0 HB ILE B 86 3.552 1.999 -4.128 1.00 0.00 H new ATOM 0 HG12 ILE B 86 5.836 1.361 -2.986 1.00 0.00 H new ATOM 0 HG13 ILE B 86 4.938 1.549 -1.493 1.00 0.00 H new ATOM 0 HG21 ILE B 86 5.664 3.318 -4.174 1.00 0.00 H new ATOM 0 HG22 ILE B 86 4.233 4.369 -4.053 1.00 0.00 H new ATOM 0 HG23 ILE B 86 5.226 4.048 -2.611 1.00 0.00 H new ATOM 0 HD11 ILE B 86 4.966 -0.786 -2.211 1.00 0.00 H new ATOM 0 HD12 ILE B 86 3.307 -0.143 -2.245 1.00 0.00 H new ATOM 0 HD13 ILE B 86 4.218 -0.334 -3.761 1.00 0.00 H new ATOM 1352 N SER B 87 1.574 4.909 -2.442 1.00 0.00 N ATOM 1353 CA SER B 87 0.756 5.922 -3.077 1.00 0.00 C ATOM 1354 C SER B 87 1.634 6.971 -3.748 1.00 0.00 C ATOM 1355 O SER B 87 2.430 7.641 -3.087 1.00 0.00 O ATOM 1356 CB SER B 87 -0.173 6.565 -2.045 1.00 0.00 C ATOM 1357 OG SER B 87 0.529 6.898 -0.860 1.00 0.00 O ATOM 0 H SER B 87 1.870 5.138 -1.493 1.00 0.00 H new ATOM 0 HA SER B 87 0.144 5.453 -3.848 1.00 0.00 H new ATOM 0 HB2 SER B 87 -0.624 7.463 -2.468 1.00 0.00 H new ATOM 0 HB3 SER B 87 -0.987 5.880 -1.808 1.00 0.00 H new ATOM 0 HG SER B 87 0.025 7.573 -0.360 1.00 0.00 H new ATOM 1363 N ILE B 88 1.505 7.086 -5.062 1.00 0.00 N ATOM 1364 CA ILE B 88 2.293 8.041 -5.827 1.00 0.00 C ATOM 1365 C ILE B 88 1.526 9.343 -5.998 1.00 0.00 C ATOM 1366 O ILE B 88 0.498 9.383 -6.678 1.00 0.00 O ATOM 1367 CB ILE B 88 2.656 7.489 -7.224 1.00 0.00 C ATOM 1368 CG1 ILE B 88 3.314 6.109 -7.112 1.00 0.00 C ATOM 1369 CG2 ILE B 88 3.570 8.459 -7.963 1.00 0.00 C ATOM 1370 CD1 ILE B 88 4.622 6.108 -6.351 1.00 0.00 C ATOM 0 H ILE B 88 0.860 6.528 -5.622 1.00 0.00 H new ATOM 0 HA ILE B 88 3.213 8.219 -5.270 1.00 0.00 H new ATOM 0 HB ILE B 88 1.734 7.380 -7.795 1.00 0.00 H new ATOM 0 HG12 ILE B 88 2.620 5.426 -6.622 1.00 0.00 H new ATOM 0 HG13 ILE B 88 3.489 5.719 -8.115 1.00 0.00 H new ATOM 0 HG21 ILE B 88 3.814 8.053 -8.944 1.00 0.00 H new ATOM 0 HG22 ILE B 88 3.063 9.417 -8.083 1.00 0.00 H new ATOM 0 HG23 ILE B 88 4.487 8.602 -7.391 1.00 0.00 H new ATOM 0 HD11 ILE B 88 5.022 5.095 -6.317 1.00 0.00 H new ATOM 0 HD12 ILE B 88 5.335 6.763 -6.852 1.00 0.00 H new ATOM 0 HD13 ILE B 88 4.452 6.465 -5.335 1.00 0.00 H new ATOM 1382 N GLN B 89 2.015 10.400 -5.372 1.00 0.00 N ATOM 1383 CA GLN B 89 1.389 11.707 -5.480 1.00 0.00 C ATOM 1384 C GLN B 89 1.857 12.423 -6.738 1.00 0.00 C ATOM 1385 O GLN B 89 2.940 12.149 -7.255 1.00 0.00 O ATOM 1386 CB GLN B 89 1.723 12.555 -4.260 1.00 0.00 C ATOM 1387 CG GLN B 89 1.253 11.956 -2.947 1.00 0.00 C ATOM 1388 CD GLN B 89 1.555 12.862 -1.776 1.00 0.00 C ATOM 1389 OE1 GLN B 89 1.556 14.086 -1.912 1.00 0.00 O ATOM 1390 NE2 GLN B 89 1.835 12.275 -0.627 1.00 0.00 N ATOM 0 H GLN B 89 2.847 10.378 -4.782 1.00 0.00 H new ATOM 0 HA GLN B 89 0.310 11.563 -5.535 1.00 0.00 H new ATOM 0 HB2 GLN B 89 2.802 12.701 -4.216 1.00 0.00 H new ATOM 0 HB3 GLN B 89 1.273 13.540 -4.380 1.00 0.00 H new ATOM 0 HG2 GLN B 89 0.180 11.771 -2.996 1.00 0.00 H new ATOM 0 HG3 GLN B 89 1.737 10.991 -2.794 1.00 0.00 H new ATOM 0 HE21 GLN B 89 1.823 11.257 -0.558 1.00 0.00 H new ATOM 0 HE22 GLN B 89 2.063 12.839 0.192 1.00 0.00 H new ATOM 1399 N GLN B 90 1.036 13.358 -7.208 1.00 0.00 N ATOM 1400 CA GLN B 90 1.323 14.110 -8.427 1.00 0.00 C ATOM 1401 C GLN B 90 2.513 15.051 -8.241 1.00 0.00 C ATOM 1402 O GLN B 90 3.000 15.642 -9.203 1.00 0.00 O ATOM 1403 CB GLN B 90 0.091 14.907 -8.859 1.00 0.00 C ATOM 1404 CG GLN B 90 -0.370 15.923 -7.826 1.00 0.00 C ATOM 1405 CD GLN B 90 -1.555 16.738 -8.300 1.00 0.00 C ATOM 1406 OE1 GLN B 90 -2.385 16.264 -9.077 1.00 0.00 O ATOM 1407 NE2 GLN B 90 -1.647 17.970 -7.830 1.00 0.00 N ATOM 0 H GLN B 90 0.158 13.615 -6.758 1.00 0.00 H new ATOM 0 HA GLN B 90 1.581 13.392 -9.205 1.00 0.00 H new ATOM 0 HB2 GLN B 90 0.313 15.425 -9.792 1.00 0.00 H new ATOM 0 HB3 GLN B 90 -0.725 14.215 -9.065 1.00 0.00 H new ATOM 0 HG2 GLN B 90 -0.636 15.404 -6.905 1.00 0.00 H new ATOM 0 HG3 GLN B 90 0.456 16.594 -7.588 1.00 0.00 H new ATOM 0 HE21 GLN B 90 -0.938 18.325 -7.188 1.00 0.00 H new ATOM 0 HE22 GLN B 90 -2.427 18.565 -8.109 1.00 0.00 H new ATOM 1416 N TYR B 91 2.965 15.203 -7.003 1.00 0.00 N ATOM 1417 CA TYR B 91 4.144 16.010 -6.721 1.00 0.00 C ATOM 1418 C TYR B 91 5.396 15.143 -6.713 1.00 0.00 C ATOM 1419 O TYR B 91 6.509 15.639 -6.544 1.00 0.00 O ATOM 1420 CB TYR B 91 4.005 16.730 -5.380 1.00 0.00 C ATOM 1421 CG TYR B 91 2.952 17.813 -5.373 1.00 0.00 C ATOM 1422 CD1 TYR B 91 1.877 17.759 -4.497 1.00 0.00 C ATOM 1423 CD2 TYR B 91 3.037 18.892 -6.240 1.00 0.00 C ATOM 1424 CE1 TYR B 91 0.917 18.753 -4.486 1.00 0.00 C ATOM 1425 CE2 TYR B 91 2.082 19.888 -6.236 1.00 0.00 C ATOM 1426 CZ TYR B 91 1.026 19.816 -5.356 1.00 0.00 C ATOM 1427 OH TYR B 91 0.075 20.811 -5.344 1.00 0.00 O ATOM 0 H TYR B 91 2.535 14.780 -6.181 1.00 0.00 H new ATOM 0 HA TYR B 91 4.234 16.757 -7.510 1.00 0.00 H new ATOM 0 HB2 TYR B 91 3.764 15.998 -4.609 1.00 0.00 H new ATOM 0 HB3 TYR B 91 4.966 17.170 -5.113 1.00 0.00 H new ATOM 0 HD1 TYR B 91 1.789 16.927 -3.813 1.00 0.00 H new ATOM 0 HD2 TYR B 91 3.865 18.954 -6.930 1.00 0.00 H new ATOM 0 HE1 TYR B 91 0.086 18.697 -3.799 1.00 0.00 H new ATOM 0 HE2 TYR B 91 2.163 20.720 -6.920 1.00 0.00 H new ATOM 0 HH TYR B 91 0.300 21.487 -6.017 1.00 0.00 H new ATOM 1437 N GLY B 92 5.208 13.843 -6.893 1.00 0.00 N ATOM 1438 CA GLY B 92 6.328 12.926 -6.881 1.00 0.00 C ATOM 1439 C GLY B 92 6.606 12.374 -5.499 1.00 0.00 C ATOM 1440 O GLY B 92 7.591 11.664 -5.295 1.00 0.00 O ATOM 0 H GLY B 92 4.299 13.407 -7.047 1.00 0.00 H new ATOM 0 HA2 GLY B 92 6.127 12.102 -7.565 1.00 0.00 H new ATOM 0 HA3 GLY B 92 7.217 13.437 -7.251 1.00 0.00 H new ATOM 1444 N HIS B 93 5.747 12.708 -4.543 1.00 0.00 N ATOM 1445 CA HIS B 93 5.881 12.187 -3.189 1.00 0.00 C ATOM 1446 C HIS B 93 5.419 10.741 -3.158 1.00 0.00 C ATOM 1447 O HIS B 93 4.271 10.443 -3.493 1.00 0.00 O ATOM 1448 CB HIS B 93 5.050 13.007 -2.194 1.00 0.00 C ATOM 1449 CG HIS B 93 5.833 13.519 -1.022 1.00 0.00 C ATOM 1450 ND1 HIS B 93 5.931 12.850 0.180 1.00 0.00 N ATOM 1451 CD2 HIS B 93 6.549 14.658 -0.869 1.00 0.00 C ATOM 1452 CE1 HIS B 93 6.669 13.553 1.015 1.00 0.00 C ATOM 1453 NE2 HIS B 93 7.058 14.654 0.405 1.00 0.00 N ATOM 0 H HIS B 93 4.954 13.334 -4.680 1.00 0.00 H new ATOM 0 HA HIS B 93 6.929 12.254 -2.898 1.00 0.00 H new ATOM 0 HB2 HIS B 93 4.605 13.853 -2.718 1.00 0.00 H new ATOM 0 HB3 HIS B 93 4.229 12.391 -1.828 1.00 0.00 H new ATOM 0 HD1 HIS B 93 5.499 11.950 0.390 1.00 0.00 H new ATOM 0 HD2 HIS B 93 6.693 15.428 -1.613 1.00 0.00 H new ATOM 0 HE1 HIS B 93 6.914 13.274 2.029 1.00 0.00 H new ATOM 1462 N GLN B 94 6.311 9.842 -2.784 1.00 0.00 N ATOM 1463 CA GLN B 94 5.953 8.443 -2.658 1.00 0.00 C ATOM 1464 C GLN B 94 5.720 8.111 -1.197 1.00 0.00 C ATOM 1465 O GLN B 94 6.624 8.241 -0.372 1.00 0.00 O ATOM 1466 CB GLN B 94 7.059 7.548 -3.224 1.00 0.00 C ATOM 1467 CG GLN B 94 7.342 7.784 -4.699 1.00 0.00 C ATOM 1468 CD GLN B 94 8.464 6.910 -5.229 1.00 0.00 C ATOM 1469 OE1 GLN B 94 9.382 6.536 -4.496 1.00 0.00 O ATOM 1470 NE2 GLN B 94 8.401 6.582 -6.510 1.00 0.00 N ATOM 0 H GLN B 94 7.284 10.055 -2.563 1.00 0.00 H new ATOM 0 HA GLN B 94 5.040 8.262 -3.225 1.00 0.00 H new ATOM 0 HB2 GLN B 94 7.975 7.714 -2.656 1.00 0.00 H new ATOM 0 HB3 GLN B 94 6.779 6.504 -3.079 1.00 0.00 H new ATOM 0 HG2 GLN B 94 6.436 7.592 -5.274 1.00 0.00 H new ATOM 0 HG3 GLN B 94 7.601 8.832 -4.852 1.00 0.00 H new ATOM 0 HE21 GLN B 94 7.624 6.912 -7.083 1.00 0.00 H new ATOM 0 HE22 GLN B 94 9.129 5.999 -6.924 1.00 0.00 H new ATOM 1479 N GLU B 95 4.515 7.680 -0.882 1.00 0.00 N ATOM 1480 CA GLU B 95 4.180 7.299 0.478 1.00 0.00 C ATOM 1481 C GLU B 95 3.930 5.806 0.543 1.00 0.00 C ATOM 1482 O GLU B 95 3.057 5.287 -0.152 1.00 0.00 O ATOM 1483 CB GLU B 95 2.952 8.065 0.974 1.00 0.00 C ATOM 1484 CG GLU B 95 3.158 9.570 1.052 1.00 0.00 C ATOM 1485 CD GLU B 95 4.374 9.951 1.871 1.00 0.00 C ATOM 1486 OE1 GLU B 95 5.295 10.577 1.310 1.00 0.00 O ATOM 1487 OE2 GLU B 95 4.423 9.615 3.076 1.00 0.00 O ATOM 0 H GLU B 95 3.750 7.584 -1.549 1.00 0.00 H new ATOM 0 HA GLU B 95 5.019 7.552 1.127 1.00 0.00 H new ATOM 0 HB2 GLU B 95 2.113 7.856 0.311 1.00 0.00 H new ATOM 0 HB3 GLU B 95 2.678 7.693 1.961 1.00 0.00 H new ATOM 0 HG2 GLU B 95 3.264 9.971 0.044 1.00 0.00 H new ATOM 0 HG3 GLU B 95 2.272 10.032 1.488 1.00 0.00 H new ATOM 1494 N VAL B 96 4.708 5.118 1.359 1.00 0.00 N ATOM 1495 CA VAL B 96 4.622 3.672 1.444 1.00 0.00 C ATOM 1496 C VAL B 96 4.156 3.237 2.823 1.00 0.00 C ATOM 1497 O VAL B 96 4.888 3.353 3.806 1.00 0.00 O ATOM 1498 CB VAL B 96 5.978 3.004 1.136 1.00 0.00 C ATOM 1499 CG1 VAL B 96 5.836 1.489 1.125 1.00 0.00 C ATOM 1500 CG2 VAL B 96 6.541 3.509 -0.184 1.00 0.00 C ATOM 0 H VAL B 96 5.407 5.538 1.972 1.00 0.00 H new ATOM 0 HA VAL B 96 3.895 3.353 0.697 1.00 0.00 H new ATOM 0 HB VAL B 96 6.681 3.273 1.924 1.00 0.00 H new ATOM 0 HG11 VAL B 96 6.802 1.035 0.906 1.00 0.00 H new ATOM 0 HG12 VAL B 96 5.488 1.149 2.100 1.00 0.00 H new ATOM 0 HG13 VAL B 96 5.116 1.197 0.361 1.00 0.00 H new ATOM 0 HG21 VAL B 96 7.497 3.024 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL B 96 5.844 3.277 -0.989 1.00 0.00 H new ATOM 0 HG23 VAL B 96 6.685 4.588 -0.129 1.00 0.00 H new ATOM 1510 N THR B 97 2.932 2.751 2.894 1.00 0.00 N ATOM 1511 CA THR B 97 2.398 2.234 4.137 1.00 0.00 C ATOM 1512 C THR B 97 2.541 0.716 4.185 1.00 0.00 C ATOM 1513 O THR B 97 1.968 0.000 3.359 1.00 0.00 O ATOM 1514 CB THR B 97 0.921 2.634 4.317 1.00 0.00 C ATOM 1515 OG1 THR B 97 0.798 4.063 4.263 1.00 0.00 O ATOM 1516 CG2 THR B 97 0.375 2.126 5.643 1.00 0.00 C ATOM 0 H THR B 97 2.289 2.704 2.104 1.00 0.00 H new ATOM 0 HA THR B 97 2.970 2.670 4.956 1.00 0.00 H new ATOM 0 HB THR B 97 0.343 2.182 3.511 1.00 0.00 H new ATOM 0 HG1 THR B 97 -0.026 4.338 4.717 1.00 0.00 H new ATOM 0 HG21 THR B 97 -0.669 2.422 5.744 1.00 0.00 H new ATOM 0 HG22 THR B 97 0.448 1.039 5.674 1.00 0.00 H new ATOM 0 HG23 THR B 97 0.954 2.552 6.462 1.00 0.00 H new ATOM 1524 N ARG B 98 3.327 0.232 5.140 1.00 0.00 N ATOM 1525 CA ARG B 98 3.580 -1.194 5.275 1.00 0.00 C ATOM 1526 C ARG B 98 2.545 -1.843 6.187 1.00 0.00 C ATOM 1527 O ARG B 98 2.146 -1.264 7.202 1.00 0.00 O ATOM 1528 CB ARG B 98 4.989 -1.440 5.821 1.00 0.00 C ATOM 1529 CG ARG B 98 6.096 -0.902 4.926 1.00 0.00 C ATOM 1530 CD ARG B 98 7.469 -1.287 5.452 1.00 0.00 C ATOM 1531 NE ARG B 98 8.540 -0.929 4.522 1.00 0.00 N ATOM 1532 CZ ARG B 98 9.624 -0.231 4.863 1.00 0.00 C ATOM 1533 NH1 ARG B 98 9.739 0.279 6.084 1.00 0.00 N ATOM 1534 NH2 ARG B 98 10.584 -0.019 3.975 1.00 0.00 N ATOM 0 H ARG B 98 3.801 0.810 5.834 1.00 0.00 H new ATOM 0 HA ARG B 98 3.503 -1.646 4.286 1.00 0.00 H new ATOM 0 HB2 ARG B 98 5.073 -0.978 6.805 1.00 0.00 H new ATOM 0 HB3 ARG B 98 5.134 -2.512 5.958 1.00 0.00 H new ATOM 0 HG2 ARG B 98 5.970 -1.290 3.915 1.00 0.00 H new ATOM 0 HG3 ARG B 98 6.020 0.183 4.863 1.00 0.00 H new ATOM 0 HD2 ARG B 98 7.641 -0.793 6.408 1.00 0.00 H new ATOM 0 HD3 ARG B 98 7.496 -2.361 5.638 1.00 0.00 H new ATOM 0 HE ARG B 98 8.452 -1.232 3.552 1.00 0.00 H new ATOM 0 HH11 ARG B 98 8.995 0.138 6.768 1.00 0.00 H new ATOM 0 HH12 ARG B 98 10.571 0.812 6.338 1.00 0.00 H new ATOM 0 HH21 ARG B 98 10.495 -0.390 3.029 1.00 0.00 H new ATOM 0 HH22 ARG B 98 11.412 0.515 4.237 1.00 0.00 H new ATOM 1548 N PHE B 99 2.107 -3.035 5.813 1.00 0.00 N ATOM 1549 CA PHE B 99 1.104 -3.763 6.574 1.00 0.00 C ATOM 1550 C PHE B 99 1.219 -5.262 6.307 1.00 0.00 C ATOM 1551 O PHE B 99 2.088 -5.703 5.548 1.00 0.00 O ATOM 1552 CB PHE B 99 -0.306 -3.258 6.222 1.00 0.00 C ATOM 1553 CG PHE B 99 -0.690 -3.422 4.773 1.00 0.00 C ATOM 1554 CD1 PHE B 99 -0.145 -2.604 3.795 1.00 0.00 C ATOM 1555 CD2 PHE B 99 -1.605 -4.392 4.392 1.00 0.00 C ATOM 1556 CE1 PHE B 99 -0.504 -2.752 2.469 1.00 0.00 C ATOM 1557 CE2 PHE B 99 -1.966 -4.542 3.068 1.00 0.00 C ATOM 1558 CZ PHE B 99 -1.414 -3.722 2.105 1.00 0.00 C ATOM 0 H PHE B 99 2.434 -3.522 4.979 1.00 0.00 H new ATOM 0 HA PHE B 99 1.278 -3.588 7.636 1.00 0.00 H new ATOM 0 HB2 PHE B 99 -1.032 -3.789 6.838 1.00 0.00 H new ATOM 0 HB3 PHE B 99 -0.375 -2.203 6.485 1.00 0.00 H new ATOM 0 HD1 PHE B 99 0.568 -1.842 4.073 1.00 0.00 H new ATOM 0 HD2 PHE B 99 -2.040 -5.038 5.140 1.00 0.00 H new ATOM 0 HE1 PHE B 99 -0.072 -2.108 1.718 1.00 0.00 H new ATOM 0 HE2 PHE B 99 -2.680 -5.301 2.786 1.00 0.00 H new ATOM 0 HZ PHE B 99 -1.694 -3.840 1.069 1.00 0.00 H new ATOM 1568 N ASP B 100 0.349 -6.035 6.938 1.00 0.00 N ATOM 1569 CA ASP B 100 0.332 -7.485 6.774 1.00 0.00 C ATOM 1570 C ASP B 100 -1.107 -7.971 6.773 1.00 0.00 C ATOM 1571 O ASP B 100 -1.996 -7.279 7.272 1.00 0.00 O ATOM 1572 CB ASP B 100 1.113 -8.175 7.898 1.00 0.00 C ATOM 1573 CG ASP B 100 0.457 -8.008 9.256 1.00 0.00 C ATOM 1574 OD1 ASP B 100 -0.293 -8.916 9.680 1.00 0.00 O ATOM 1575 OD2 ASP B 100 0.690 -6.967 9.911 1.00 0.00 O ATOM 0 H ASP B 100 -0.363 -5.680 7.576 1.00 0.00 H new ATOM 0 HA ASP B 100 0.810 -7.735 5.827 1.00 0.00 H new ATOM 0 HB2 ASP B 100 1.205 -9.237 7.672 1.00 0.00 H new ATOM 0 HB3 ASP B 100 2.124 -7.768 7.935 1.00 0.00 H new ATOM 1580 N PHE B 101 -1.344 -9.151 6.217 1.00 0.00 N ATOM 1581 CA PHE B 101 -2.698 -9.681 6.133 1.00 0.00 C ATOM 1582 C PHE B 101 -2.705 -11.196 5.969 1.00 0.00 C ATOM 1583 O PHE B 101 -1.700 -11.791 5.579 1.00 0.00 O ATOM 1584 CB PHE B 101 -3.462 -9.020 4.981 1.00 0.00 C ATOM 1585 CG PHE B 101 -2.724 -9.001 3.670 1.00 0.00 C ATOM 1586 CD1 PHE B 101 -2.783 -10.081 2.806 1.00 0.00 C ATOM 1587 CD2 PHE B 101 -1.986 -7.892 3.295 1.00 0.00 C ATOM 1588 CE1 PHE B 101 -2.118 -10.053 1.596 1.00 0.00 C ATOM 1589 CE2 PHE B 101 -1.317 -7.861 2.089 1.00 0.00 C ATOM 1590 CZ PHE B 101 -1.384 -8.943 1.237 1.00 0.00 C ATOM 0 H PHE B 101 -0.624 -9.755 5.821 1.00 0.00 H new ATOM 0 HA PHE B 101 -3.198 -9.448 7.073 1.00 0.00 H new ATOM 0 HB2 PHE B 101 -4.408 -9.543 4.843 1.00 0.00 H new ATOM 0 HB3 PHE B 101 -3.702 -7.995 5.263 1.00 0.00 H new ATOM 0 HD1 PHE B 101 -3.355 -10.955 3.081 1.00 0.00 H new ATOM 0 HD2 PHE B 101 -1.933 -7.039 3.956 1.00 0.00 H new ATOM 0 HE1 PHE B 101 -2.173 -10.902 0.930 1.00 0.00 H new ATOM 0 HE2 PHE B 101 -0.741 -6.990 1.812 1.00 0.00 H new ATOM 0 HZ PHE B 101 -0.863 -8.921 0.291 1.00 0.00 H new ATOM 1600 N THR B 102 -3.851 -11.797 6.298 1.00 0.00 N ATOM 1601 CA THR B 102 -4.083 -13.233 6.132 1.00 0.00 C ATOM 1602 C THR B 102 -3.207 -14.055 7.091 1.00 0.00 C ATOM 1603 O THR B 102 -3.077 -15.274 6.961 1.00 0.00 O ATOM 1604 CB THR B 102 -3.843 -13.661 4.665 1.00 0.00 C ATOM 1605 OG1 THR B 102 -4.408 -12.682 3.776 1.00 0.00 O ATOM 1606 CG2 THR B 102 -4.480 -15.012 4.368 1.00 0.00 C ATOM 0 H THR B 102 -4.649 -11.297 6.690 1.00 0.00 H new ATOM 0 HA THR B 102 -5.125 -13.433 6.381 1.00 0.00 H new ATOM 0 HB THR B 102 -2.766 -13.739 4.514 1.00 0.00 H new ATOM 0 HG1 THR B 102 -4.253 -12.955 2.848 1.00 0.00 H new ATOM 0 HG21 THR B 102 -4.292 -15.282 3.329 1.00 0.00 H new ATOM 0 HG22 THR B 102 -4.050 -15.769 5.023 1.00 0.00 H new ATOM 0 HG23 THR B 102 -5.555 -14.953 4.539 1.00 0.00 H new ATOM 1614 N THR B 103 -2.637 -13.377 8.077 1.00 0.00 N ATOM 1615 CA THR B 103 -1.769 -14.019 9.050 1.00 0.00 C ATOM 1616 C THR B 103 -2.551 -14.975 9.948 1.00 0.00 C ATOM 1617 O THR B 103 -3.452 -14.556 10.680 1.00 0.00 O ATOM 1618 CB THR B 103 -1.059 -12.965 9.932 1.00 0.00 C ATOM 1619 OG1 THR B 103 -0.306 -12.058 9.113 1.00 0.00 O ATOM 1620 CG2 THR B 103 -0.130 -13.626 10.942 1.00 0.00 C ATOM 0 H THR B 103 -2.762 -12.375 8.223 1.00 0.00 H new ATOM 0 HA THR B 103 -1.025 -14.587 8.491 1.00 0.00 H new ATOM 0 HB THR B 103 -1.827 -12.415 10.475 1.00 0.00 H new ATOM 0 HG1 THR B 103 -0.416 -11.145 9.450 1.00 0.00 H new ATOM 0 HG21 THR B 103 0.354 -12.859 11.547 1.00 0.00 H new ATOM 0 HG22 THR B 103 -0.707 -14.288 11.588 1.00 0.00 H new ATOM 0 HG23 THR B 103 0.628 -14.205 10.415 1.00 0.00 H new ATOM 1628 N THR B 104 -2.224 -16.261 9.877 1.00 0.00 N ATOM 1629 CA THR B 104 -2.773 -17.227 10.811 1.00 0.00 C ATOM 1630 C THR B 104 -2.056 -17.087 12.152 1.00 0.00 C ATOM 1631 O THR B 104 -0.946 -16.546 12.205 1.00 0.00 O ATOM 1632 CB THR B 104 -2.644 -18.678 10.291 1.00 0.00 C ATOM 1633 OG1 THR B 104 -3.401 -19.570 11.118 1.00 0.00 O ATOM 1634 CG2 THR B 104 -1.192 -19.130 10.267 1.00 0.00 C ATOM 0 H THR B 104 -1.585 -16.653 9.185 1.00 0.00 H new ATOM 0 HA THR B 104 -3.837 -17.020 10.927 1.00 0.00 H new ATOM 0 HB THR B 104 -3.033 -18.699 9.273 1.00 0.00 H new ATOM 0 HG1 THR B 104 -3.313 -20.485 10.778 1.00 0.00 H new ATOM 0 HG21 THR B 104 -1.136 -20.154 9.897 1.00 0.00 H new ATOM 0 HG22 THR B 104 -0.618 -18.475 9.612 1.00 0.00 H new ATOM 0 HG23 THR B 104 -0.780 -19.086 11.275 1.00 0.00 H new ATOM 1642 N SER B 105 -2.686 -17.565 13.220 1.00 0.00 N ATOM 1643 CA SER B 105 -2.155 -17.400 14.569 1.00 0.00 C ATOM 1644 C SER B 105 -2.045 -15.913 14.898 1.00 0.00 C ATOM 1645 O SER B 105 -0.947 -15.358 14.973 1.00 0.00 O ATOM 1646 CB SER B 105 -0.787 -18.082 14.705 1.00 0.00 C ATOM 1647 OG SER B 105 -0.828 -19.417 14.220 1.00 0.00 O ATOM 0 H SER B 105 -3.570 -18.073 13.177 1.00 0.00 H new ATOM 0 HA SER B 105 -2.837 -17.874 15.275 1.00 0.00 H new ATOM 0 HB2 SER B 105 -0.038 -17.514 14.153 1.00 0.00 H new ATOM 0 HB3 SER B 105 -0.480 -18.081 15.751 1.00 0.00 H new ATOM 0 HG SER B 105 0.057 -19.828 14.317 1.00 0.00 H new ATOM 1653 N THR B 106 -3.200 -15.278 15.071 1.00 0.00 N ATOM 1654 CA THR B 106 -3.276 -13.845 15.310 1.00 0.00 C ATOM 1655 C THR B 106 -2.582 -13.445 16.606 1.00 0.00 C ATOM 1656 O THR B 106 -3.188 -13.438 17.678 1.00 0.00 O ATOM 1657 CB THR B 106 -4.740 -13.376 15.347 1.00 0.00 C ATOM 1658 OG1 THR B 106 -5.534 -14.320 16.084 1.00 0.00 O ATOM 1659 CG2 THR B 106 -5.295 -13.219 13.941 1.00 0.00 C ATOM 0 H THR B 106 -4.107 -15.744 15.049 1.00 0.00 H new ATOM 0 HA THR B 106 -2.759 -13.359 14.483 1.00 0.00 H new ATOM 0 HB THR B 106 -4.779 -12.405 15.840 1.00 0.00 H new ATOM 0 HG1 THR B 106 -5.128 -14.474 16.962 1.00 0.00 H new ATOM 0 HG21 THR B 106 -6.332 -12.887 13.994 1.00 0.00 H new ATOM 0 HG22 THR B 106 -4.705 -12.481 13.397 1.00 0.00 H new ATOM 0 HG23 THR B 106 -5.247 -14.176 13.422 1.00 0.00 H new ATOM 1667 N SER B 107 -1.307 -13.118 16.493 1.00 0.00 N ATOM 1668 CA SER B 107 -0.527 -12.685 17.633 1.00 0.00 C ATOM 1669 C SER B 107 -0.795 -11.215 17.926 1.00 0.00 C ATOM 1670 O SER B 107 -0.898 -10.813 19.082 1.00 0.00 O ATOM 1671 CB SER B 107 0.956 -12.927 17.365 1.00 0.00 C ATOM 1672 OG SER B 107 1.200 -14.300 17.092 1.00 0.00 O ATOM 0 H SER B 107 -0.789 -13.145 15.615 1.00 0.00 H new ATOM 0 HA SER B 107 -0.819 -13.263 18.510 1.00 0.00 H new ATOM 0 HB2 SER B 107 1.282 -12.320 16.520 1.00 0.00 H new ATOM 0 HB3 SER B 107 1.543 -12.613 18.228 1.00 0.00 H new ATOM 0 HG SER B 107 2.156 -14.435 16.921 1.00 0.00 H new ATOM 1678 N THR B 108 -0.909 -10.422 16.865 1.00 0.00 N ATOM 1679 CA THR B 108 -1.241 -9.010 16.985 1.00 0.00 C ATOM 1680 C THR B 108 -1.227 -8.337 15.610 1.00 0.00 C ATOM 1681 O THR B 108 -0.264 -8.468 14.850 1.00 0.00 O ATOM 1682 CB THR B 108 -0.287 -8.258 17.951 1.00 0.00 C ATOM 1683 OG1 THR B 108 -0.689 -6.888 18.070 1.00 0.00 O ATOM 1684 CG2 THR B 108 1.162 -8.325 17.484 1.00 0.00 C ATOM 0 H THR B 108 -0.775 -10.739 15.905 1.00 0.00 H new ATOM 0 HA THR B 108 -2.245 -8.956 17.407 1.00 0.00 H new ATOM 0 HB THR B 108 -0.351 -8.749 18.922 1.00 0.00 H new ATOM 0 HG1 THR B 108 -0.922 -6.695 19.002 1.00 0.00 H new ATOM 0 HG21 THR B 108 1.796 -7.786 18.188 1.00 0.00 H new ATOM 0 HG22 THR B 108 1.480 -9.366 17.432 1.00 0.00 H new ATOM 0 HG23 THR B 108 1.248 -7.870 16.497 1.00 0.00 H new ATOM 1692 N PRO B 109 -2.326 -7.651 15.256 1.00 0.00 N ATOM 1693 CA PRO B 109 -2.408 -6.870 14.021 1.00 0.00 C ATOM 1694 C PRO B 109 -1.654 -5.544 14.121 1.00 0.00 C ATOM 1695 O PRO B 109 -1.488 -4.840 13.125 1.00 0.00 O ATOM 1696 CB PRO B 109 -3.906 -6.621 13.859 1.00 0.00 C ATOM 1697 CG PRO B 109 -4.439 -6.636 15.248 1.00 0.00 C ATOM 1698 CD PRO B 109 -3.592 -7.618 16.011 1.00 0.00 C ATOM 0 HA PRO B 109 -1.955 -7.392 13.178 1.00 0.00 H new ATOM 0 HB2 PRO B 109 -4.099 -5.666 13.370 1.00 0.00 H new ATOM 0 HB3 PRO B 109 -4.373 -7.393 13.247 1.00 0.00 H new ATOM 0 HG2 PRO B 109 -4.385 -5.644 15.697 1.00 0.00 H new ATOM 0 HG3 PRO B 109 -5.487 -6.934 15.260 1.00 0.00 H new ATOM 0 HD2 PRO B 109 -3.436 -7.296 17.041 1.00 0.00 H new ATOM 0 HD3 PRO B 109 -4.059 -8.602 16.052 1.00 0.00 H new ATOM 1706 N GLY B 110 -1.196 -5.205 15.320 1.00 0.00 N ATOM 1707 CA GLY B 110 -0.450 -3.979 15.501 1.00 0.00 C ATOM 1708 C GLY B 110 -0.657 -3.366 16.869 1.00 0.00 C ATOM 1709 O GLY B 110 -1.023 -4.060 17.819 1.00 0.00 O ATOM 0 H GLY B 110 -1.329 -5.757 16.167 1.00 0.00 H new ATOM 0 HA2 GLY B 110 0.611 -4.179 15.354 1.00 0.00 H new ATOM 0 HA3 GLY B 110 -0.748 -3.261 14.737 1.00 0.00 H new ATOM 1713 N SER B 111 -0.459 -2.059 16.959 1.00 0.00 N ATOM 1714 CA SER B 111 -0.541 -1.343 18.226 1.00 0.00 C ATOM 1715 C SER B 111 -1.966 -1.351 18.775 1.00 0.00 C ATOM 1716 O SER B 111 -2.182 -1.137 19.969 1.00 0.00 O ATOM 1717 CB SER B 111 -0.059 0.094 18.033 1.00 0.00 C ATOM 1718 OG SER B 111 1.229 0.120 17.438 1.00 0.00 O ATOM 0 H SER B 111 -0.238 -1.466 16.159 1.00 0.00 H new ATOM 0 HA SER B 111 0.098 -1.848 18.950 1.00 0.00 H new ATOM 0 HB2 SER B 111 -0.765 0.638 17.405 1.00 0.00 H new ATOM 0 HB3 SER B 111 -0.030 0.605 18.996 1.00 0.00 H new ATOM 0 HG SER B 111 1.517 1.049 17.322 1.00 0.00 H new ATOM 1724 N ARG B 112 -2.930 -1.615 17.900 1.00 0.00 N ATOM 1725 CA ARG B 112 -4.333 -1.686 18.294 1.00 0.00 C ATOM 1726 C ARG B 112 -4.591 -2.873 19.223 1.00 0.00 C ATOM 1727 O ARG B 112 -5.617 -2.929 19.903 1.00 0.00 O ATOM 1728 CB ARG B 112 -5.229 -1.796 17.062 1.00 0.00 C ATOM 1729 CG ARG B 112 -5.257 -0.543 16.203 1.00 0.00 C ATOM 1730 CD ARG B 112 -6.154 -0.721 14.990 1.00 0.00 C ATOM 1731 NE ARG B 112 -5.649 -1.750 14.080 1.00 0.00 N ATOM 1732 CZ ARG B 112 -6.384 -2.752 13.595 1.00 0.00 C ATOM 1733 NH1 ARG B 112 -7.647 -2.907 13.976 1.00 0.00 N ATOM 1734 NH2 ARG B 112 -5.847 -3.608 12.737 1.00 0.00 N ATOM 0 H ARG B 112 -2.764 -1.784 16.908 1.00 0.00 H new ATOM 0 HA ARG B 112 -4.570 -0.768 18.832 1.00 0.00 H new ATOM 0 HB2 ARG B 112 -4.890 -2.634 16.453 1.00 0.00 H new ATOM 0 HB3 ARG B 112 -6.245 -2.026 17.384 1.00 0.00 H new ATOM 0 HG2 ARG B 112 -5.610 0.300 16.798 1.00 0.00 H new ATOM 0 HG3 ARG B 112 -4.245 -0.301 15.877 1.00 0.00 H new ATOM 0 HD2 ARG B 112 -7.158 -0.989 15.318 1.00 0.00 H new ATOM 0 HD3 ARG B 112 -6.235 0.226 14.457 1.00 0.00 H new ATOM 0 HE ARG B 112 -4.670 -1.698 13.798 1.00 0.00 H new ATOM 0 HH11 ARG B 112 -8.062 -2.257 14.644 1.00 0.00 H new ATOM 0 HH12 ARG B 112 -8.202 -3.676 13.600 1.00 0.00 H new ATOM 0 HH21 ARG B 112 -4.874 -3.499 12.449 1.00 0.00 H new ATOM 0 HH22 ARG B 112 -6.406 -4.375 12.364 1.00 0.00 H new ATOM 1748 N SER B 113 -3.658 -3.814 19.252 1.00 0.00 N ATOM 1749 CA SER B 113 -3.787 -4.987 20.096 1.00 0.00 C ATOM 1750 C SER B 113 -2.566 -5.116 21.005 1.00 0.00 C ATOM 1751 O SER B 113 -1.550 -5.702 20.623 1.00 0.00 O ATOM 1752 CB SER B 113 -3.947 -6.239 19.231 1.00 0.00 C ATOM 1753 OG SER B 113 -4.240 -7.379 20.017 1.00 0.00 O ATOM 0 H SER B 113 -2.802 -3.785 18.698 1.00 0.00 H new ATOM 0 HA SER B 113 -4.674 -4.880 20.721 1.00 0.00 H new ATOM 0 HB2 SER B 113 -4.745 -6.081 18.505 1.00 0.00 H new ATOM 0 HB3 SER B 113 -3.031 -6.411 18.666 1.00 0.00 H new ATOM 0 HG SER B 113 -4.338 -8.161 19.435 1.00 0.00 H new ATOM 1759 N HIS B 114 -2.663 -4.549 22.203 1.00 0.00 N ATOM 1760 CA HIS B 114 -1.564 -4.600 23.159 1.00 0.00 C ATOM 1761 C HIS B 114 -2.056 -5.013 24.546 1.00 0.00 C ATOM 1762 O HIS B 114 -1.458 -4.659 25.561 1.00 0.00 O ATOM 1763 CB HIS B 114 -0.818 -3.254 23.215 1.00 0.00 C ATOM 1764 CG HIS B 114 -1.660 -2.071 23.607 1.00 0.00 C ATOM 1765 ND1 HIS B 114 -2.181 -1.179 22.693 1.00 0.00 N ATOM 1766 CD2 HIS B 114 -2.050 -1.624 24.824 1.00 0.00 C ATOM 1767 CE1 HIS B 114 -2.850 -0.238 23.331 1.00 0.00 C ATOM 1768 NE2 HIS B 114 -2.787 -0.485 24.625 1.00 0.00 N ATOM 0 H HIS B 114 -3.489 -4.050 22.534 1.00 0.00 H new ATOM 0 HA HIS B 114 -0.861 -5.359 22.817 1.00 0.00 H new ATOM 0 HB2 HIS B 114 0.007 -3.343 23.922 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -0.379 -3.059 22.236 1.00 0.00 H new ATOM 0 HD1 HIS B 114 -2.067 -1.238 21.681 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -1.823 -2.080 25.776 1.00 0.00 H new ATOM 0 HE1 HIS B 114 -3.363 0.594 22.871 1.00 0.00 H new ATOM 1777 N HIS B 115 -3.153 -5.758 24.582 1.00 0.00 N ATOM 1778 CA HIS B 115 -3.652 -6.322 25.833 1.00 0.00 C ATOM 1779 C HIS B 115 -3.337 -7.810 25.886 1.00 0.00 C ATOM 1780 O HIS B 115 -2.576 -8.252 26.744 1.00 0.00 O ATOM 1781 CB HIS B 115 -5.162 -6.106 25.989 1.00 0.00 C ATOM 1782 CG HIS B 115 -5.559 -4.688 26.269 1.00 0.00 C ATOM 1783 ND1 HIS B 115 -5.497 -4.121 27.526 1.00 0.00 N ATOM 1784 CD2 HIS B 115 -6.041 -3.723 25.450 1.00 0.00 C ATOM 1785 CE1 HIS B 115 -5.924 -2.872 27.464 1.00 0.00 C ATOM 1786 NE2 HIS B 115 -6.260 -2.606 26.216 1.00 0.00 N ATOM 0 H HIS B 115 -3.715 -5.987 23.762 1.00 0.00 H new ATOM 0 HA HIS B 115 -3.154 -5.808 26.655 1.00 0.00 H new ATOM 0 HB2 HIS B 115 -5.660 -6.437 25.078 1.00 0.00 H new ATOM 0 HB3 HIS B 115 -5.526 -6.739 26.799 1.00 0.00 H new ATOM 0 HD2 HIS B 115 -6.220 -3.816 24.389 1.00 0.00 H new ATOM 0 HE1 HIS B 115 -5.987 -2.185 28.295 1.00 0.00 H new ATOM 0 HE2 HIS B 115 -6.623 -1.715 25.876 1.00 0.00 H new ATOM 1795 N HIS B 116 -3.916 -8.566 24.951 1.00 0.00 N ATOM 1796 CA HIS B 116 -3.680 -10.010 24.826 1.00 0.00 C ATOM 1797 C HIS B 116 -4.338 -10.807 25.949 1.00 0.00 C ATOM 1798 O HIS B 116 -4.537 -10.314 27.062 1.00 0.00 O ATOM 1799 CB HIS B 116 -2.182 -10.331 24.769 1.00 0.00 C ATOM 1800 CG HIS B 116 -1.523 -9.888 23.504 1.00 0.00 C ATOM 1801 ND1 HIS B 116 -0.778 -8.734 23.405 1.00 0.00 N ATOM 1802 CD2 HIS B 116 -1.498 -10.455 22.278 1.00 0.00 C ATOM 1803 CE1 HIS B 116 -0.327 -8.610 22.174 1.00 0.00 C ATOM 1804 NE2 HIS B 116 -0.748 -9.642 21.471 1.00 0.00 N ATOM 0 H HIS B 116 -4.564 -8.195 24.256 1.00 0.00 H new ATOM 0 HA HIS B 116 -4.142 -10.312 23.886 1.00 0.00 H new ATOM 0 HB2 HIS B 116 -1.685 -9.855 25.614 1.00 0.00 H new ATOM 0 HB3 HIS B 116 -2.045 -11.406 24.883 1.00 0.00 H new ATOM 0 HD2 HIS B 116 -1.980 -11.377 21.989 1.00 0.00 H new ATOM 0 HE1 HIS B 116 0.284 -7.800 21.804 1.00 0.00 H new ATOM 0 HE2 HIS B 116 -0.548 -9.808 20.485 1.00 0.00 H new ATOM 1813 N HIS B 117 -4.668 -12.052 25.640 1.00 0.00 N ATOM 1814 CA HIS B 117 -5.316 -12.941 26.591 1.00 0.00 C ATOM 1815 C HIS B 117 -4.275 -13.663 27.433 1.00 0.00 C ATOM 1816 O HIS B 117 -3.849 -14.770 27.100 1.00 0.00 O ATOM 1817 CB HIS B 117 -6.189 -13.975 25.867 1.00 0.00 C ATOM 1818 CG HIS B 117 -7.356 -13.392 25.125 1.00 0.00 C ATOM 1819 ND1 HIS B 117 -8.665 -13.722 25.404 1.00 0.00 N ATOM 1820 CD2 HIS B 117 -7.404 -12.518 24.091 1.00 0.00 C ATOM 1821 CE1 HIS B 117 -9.466 -13.076 24.576 1.00 0.00 C ATOM 1822 NE2 HIS B 117 -8.726 -12.339 23.771 1.00 0.00 N ATOM 0 H HIS B 117 -4.495 -12.473 24.727 1.00 0.00 H new ATOM 0 HA HIS B 117 -5.950 -12.334 27.238 1.00 0.00 H new ATOM 0 HB2 HIS B 117 -5.567 -14.529 25.164 1.00 0.00 H new ATOM 0 HB3 HIS B 117 -6.561 -14.693 26.597 1.00 0.00 H new ATOM 0 HD2 HIS B 117 -6.559 -12.049 23.609 1.00 0.00 H new ATOM 0 HE1 HIS B 117 -10.544 -13.140 24.561 1.00 0.00 H new ATOM 0 HE2 HIS B 117 -9.079 -11.734 23.030 1.00 0.00 H new ATOM 1831 N HIS B 118 -3.858 -13.026 28.517 1.00 0.00 N ATOM 1832 CA HIS B 118 -2.910 -13.636 29.441 1.00 0.00 C ATOM 1833 C HIS B 118 -3.625 -14.686 30.283 1.00 0.00 C ATOM 1834 O HIS B 118 -3.011 -15.620 30.794 1.00 0.00 O ATOM 1835 CB HIS B 118 -2.273 -12.572 30.338 1.00 0.00 C ATOM 1836 CG HIS B 118 -1.131 -13.078 31.167 1.00 0.00 C ATOM 1837 ND1 HIS B 118 -1.141 -13.077 32.545 1.00 0.00 N ATOM 1838 CD2 HIS B 118 0.074 -13.577 30.803 1.00 0.00 C ATOM 1839 CE1 HIS B 118 0.008 -13.551 32.991 1.00 0.00 C ATOM 1840 NE2 HIS B 118 0.761 -13.863 31.954 1.00 0.00 N ATOM 0 H HIS B 118 -4.160 -12.088 28.779 1.00 0.00 H new ATOM 0 HA HIS B 118 -2.115 -14.116 28.871 1.00 0.00 H new ATOM 0 HB2 HIS B 118 -1.920 -11.750 29.715 1.00 0.00 H new ATOM 0 HB3 HIS B 118 -3.037 -12.165 31.000 1.00 0.00 H new ATOM 0 HD2 HIS B 118 0.428 -13.723 29.793 1.00 0.00 H new ATOM 0 HE1 HIS B 118 0.284 -13.664 34.029 1.00 0.00 H new ATOM 0 HE2 HIS B 118 1.702 -14.254 32.001 1.00 0.00 H new ATOM 1849 N HIS B 119 -4.931 -14.516 30.413 1.00 0.00 N ATOM 1850 CA HIS B 119 -5.776 -15.480 31.096 1.00 0.00 C ATOM 1851 C HIS B 119 -7.060 -15.675 30.300 1.00 0.00 C ATOM 1852 O HIS B 119 -7.128 -16.630 29.504 1.00 0.00 O ATOM 1853 CB HIS B 119 -6.094 -15.016 32.522 1.00 0.00 C ATOM 1854 CG HIS B 119 -6.934 -15.986 33.301 1.00 0.00 C ATOM 1855 ND1 HIS B 119 -8.295 -15.841 33.461 1.00 0.00 N ATOM 1856 CD2 HIS B 119 -6.598 -17.115 33.971 1.00 0.00 C ATOM 1857 CE1 HIS B 119 -8.759 -16.836 34.194 1.00 0.00 C ATOM 1858 NE2 HIS B 119 -7.751 -17.623 34.516 1.00 0.00 N ATOM 1859 OXT HIS B 119 -7.983 -14.850 30.448 1.00 0.00 O ATOM 0 H HIS B 119 -5.434 -13.707 30.048 1.00 0.00 H new ATOM 0 HA HIS B 119 -5.245 -16.429 31.167 1.00 0.00 H new ATOM 0 HB2 HIS B 119 -5.159 -14.848 33.057 1.00 0.00 H new ATOM 0 HB3 HIS B 119 -6.611 -14.058 32.476 1.00 0.00 H new ATOM 0 HD2 HIS B 119 -5.608 -17.537 34.060 1.00 0.00 H new ATOM 0 HE1 HIS B 119 -9.790 -16.981 34.481 1.00 0.00 H new ATOM 0 HE2 HIS B 119 -7.817 -18.471 35.079 1.00 0.00 H new TER 1868 HIS B 119