USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 764 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 HIS : no HD1:sc= -0.665! C(o=-2.5!,f=-24!) USER MOD Set 1.2: A 49 SER OG : rot -70:sc= -3.56! USER MOD Set 1.3: A 86 SER OG : rot -157:sc= 1.12 USER MOD Set 1.4: A 91 HIS : no HE2:sc= 0.619 K(o=-2.5,f=-24!) USER MOD Single : A 1 GLY N :NH3+ -112:sc= -0.215 (180deg=-1.21) USER MOD Single : A 3 MET CE :methyl 149:sc= -0.105 (180deg=-0.934) USER MOD Single : A 5 SER OG : rot 180:sc= -0.555 USER MOD Single : A 6 MET CE :methyl -155:sc= -0.0398 (180deg=-0.551) USER MOD Single : A 9 LYS NZ :NH3+ -163:sc= -0.0388 (180deg=-0.417) USER MOD Single : A 11 LYS NZ :NH3+ -140:sc= -6.01! (180deg=-15!) USER MOD Single : A 12 CYS SG : rot -136:sc= -7.12! USER MOD Single : A 13 SER OG : rot 180:sc= -0.002 USER MOD Single : A 18 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00333) USER MOD Single : A 19 LYS NZ :NH3+ 154:sc= -0.14 (180deg=-0.926) USER MOD Single : A 20 GLN : amide:sc= 0.811 K(o=0.81,f=-6.5!) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.523 F(o=-2.1,f=-0.52) USER MOD Single : A 31 LYS NZ :NH3+ -166:sc= 0.391 (180deg=0.235) USER MOD Single : A 35 LYS NZ :NH3+ -154:sc= -0.121 (180deg=-0.762) USER MOD Single : A 38 LYS NZ :NH3+ 158:sc= 0.254 (180deg=-1.22!) USER MOD Single : A 41 LYS NZ :NH3+ 159:sc= 1.05! (180deg=0.0332) USER MOD Single : A 44 SER OG : rot 75:sc= -7.67! USER MOD Single : A 51 LYS NZ :NH3+ 172:sc= -0.423 (180deg=-0.6) USER MOD Single : A 55 SER OG : rot 112:sc= 0.84 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.167) USER MOD Single : A 64 MET CE :methyl -169:sc= -8.37! (180deg=-8.56!) USER MOD Single : A 66 LYS NZ :NH3+ -169:sc= -3.21! (180deg=-3.9!) USER MOD Single : A 76 GLN : amide:sc= -0.965! C(o=-0.96!,f=-12!) USER MOD Single : A 81 SER OG : rot 130:sc= -2.25 USER MOD Single : A 85 LYS NZ :NH3+ 165:sc= 0.0703 (180deg=-0.733) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -148:sc= 0.792 (180deg=-0.102) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.919 11.587 -7.078 1.00 0.00 N ATOM 2 CA GLY A 1 -9.540 11.777 -5.775 1.00 0.00 C ATOM 3 C GLY A 1 -10.914 12.424 -5.913 1.00 0.00 C ATOM 4 O GLY A 1 -11.085 13.613 -5.616 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.858 10.570 -7.289 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.492 12.058 -7.807 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.963 11.997 -7.070 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.636 10.816 -5.270 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.901 12.402 -5.151 1.00 0.00 H new ATOM 8 N PRO A 2 -11.899 11.668 -6.329 1.00 0.00 N ATOM 9 CA PRO A 2 -13.295 12.193 -6.499 1.00 0.00 C ATOM 10 C PRO A 2 -13.828 12.728 -5.181 1.00 0.00 C ATOM 11 O PRO A 2 -13.469 12.220 -4.127 1.00 0.00 O ATOM 12 CB PRO A 2 -14.095 10.953 -6.933 1.00 0.00 C ATOM 13 CG PRO A 2 -13.073 10.021 -7.496 1.00 0.00 C ATOM 14 CD PRO A 2 -11.822 10.231 -6.653 1.00 0.00 C ATOM 0 HA PRO A 2 -13.355 13.014 -7.213 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -14.618 10.504 -6.089 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -14.850 11.209 -7.676 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -13.413 8.987 -7.442 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -12.880 10.239 -8.546 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -11.827 9.611 -5.756 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.914 9.987 -7.205 1.00 0.00 H new ATOM 22 N MET A 3 -14.634 13.774 -5.238 1.00 0.00 N ATOM 23 CA MET A 3 -15.166 14.387 -4.026 1.00 0.00 C ATOM 24 C MET A 3 -16.623 13.994 -3.832 1.00 0.00 C ATOM 25 O MET A 3 -17.434 14.138 -4.749 1.00 0.00 O ATOM 26 CB MET A 3 -15.072 15.919 -4.117 1.00 0.00 C ATOM 27 CG MET A 3 -13.604 16.363 -4.152 1.00 0.00 C ATOM 28 SD MET A 3 -13.532 18.165 -4.325 1.00 0.00 S ATOM 29 CE MET A 3 -14.155 18.590 -2.677 1.00 0.00 C ATOM 0 H MET A 3 -14.936 14.218 -6.106 1.00 0.00 H new ATOM 0 HA MET A 3 -14.576 14.034 -3.180 1.00 0.00 H new ATOM 0 HB2 MET A 3 -15.586 16.269 -5.012 1.00 0.00 H new ATOM 0 HB3 MET A 3 -15.575 16.372 -3.263 1.00 0.00 H new ATOM 0 HG2 MET A 3 -13.096 16.053 -3.239 1.00 0.00 H new ATOM 0 HG3 MET A 3 -13.086 15.885 -4.984 1.00 0.00 H new ATOM 0 HE1 MET A 3 -13.709 19.530 -2.351 1.00 0.00 H new ATOM 0 HE2 MET A 3 -15.239 18.696 -2.714 1.00 0.00 H new ATOM 0 HE3 MET A 3 -13.892 17.800 -1.974 1.00 0.00 H new ATOM 39 N GLY A 4 -16.969 13.563 -2.635 1.00 0.00 N ATOM 40 CA GLY A 4 -18.349 13.210 -2.325 1.00 0.00 C ATOM 41 C GLY A 4 -18.761 11.929 -3.026 1.00 0.00 C ATOM 42 O GLY A 4 -19.862 11.834 -3.577 1.00 0.00 O ATOM 0 H GLY A 4 -16.318 13.447 -1.859 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.463 13.090 -1.248 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.011 14.022 -2.627 1.00 0.00 H new ATOM 46 N SER A 5 -17.879 10.949 -3.026 1.00 0.00 N ATOM 47 CA SER A 5 -18.153 9.675 -3.677 1.00 0.00 C ATOM 48 C SER A 5 -17.725 8.520 -2.793 1.00 0.00 C ATOM 49 O SER A 5 -17.075 8.718 -1.760 1.00 0.00 O ATOM 50 CB SER A 5 -17.432 9.600 -5.030 1.00 0.00 C ATOM 51 OG SER A 5 -17.553 8.283 -5.571 1.00 0.00 O ATOM 0 H SER A 5 -16.963 11.007 -2.582 1.00 0.00 H new ATOM 0 HA SER A 5 -19.227 9.602 -3.847 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.859 10.327 -5.721 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.380 9.857 -4.906 1.00 0.00 H new ATOM 0 HG SER A 5 -17.093 8.241 -6.435 1.00 0.00 H new ATOM 57 N MET A 6 -18.030 7.313 -3.236 1.00 0.00 N ATOM 58 CA MET A 6 -17.623 6.116 -2.524 1.00 0.00 C ATOM 59 C MET A 6 -16.112 6.043 -2.506 1.00 0.00 C ATOM 60 O MET A 6 -15.502 5.681 -1.499 1.00 0.00 O ATOM 61 CB MET A 6 -18.189 4.870 -3.210 1.00 0.00 C ATOM 62 CG MET A 6 -19.714 4.860 -3.074 1.00 0.00 C ATOM 63 SD MET A 6 -20.376 3.340 -3.802 1.00 0.00 S ATOM 64 CE MET A 6 -20.131 3.783 -5.540 1.00 0.00 C ATOM 0 H MET A 6 -18.560 7.136 -4.089 1.00 0.00 H new ATOM 0 HA MET A 6 -18.006 6.157 -1.504 1.00 0.00 H new ATOM 0 HB2 MET A 6 -17.907 4.862 -4.263 1.00 0.00 H new ATOM 0 HB3 MET A 6 -17.767 3.971 -2.760 1.00 0.00 H new ATOM 0 HG2 MET A 6 -19.996 4.925 -2.023 1.00 0.00 H new ATOM 0 HG3 MET A 6 -20.140 5.730 -3.573 1.00 0.00 H new ATOM 0 HE1 MET A 6 -20.838 3.231 -6.159 1.00 0.00 H new ATOM 0 HE2 MET A 6 -20.294 4.853 -5.669 1.00 0.00 H new ATOM 0 HE3 MET A 6 -19.113 3.532 -5.839 1.00 0.00 H new ATOM 74 N ALA A 7 -15.515 6.421 -3.623 1.00 0.00 N ATOM 75 CA ALA A 7 -14.072 6.437 -3.748 1.00 0.00 C ATOM 76 C ALA A 7 -13.509 7.791 -3.336 1.00 0.00 C ATOM 77 O ALA A 7 -12.396 8.151 -3.721 1.00 0.00 O ATOM 78 CB ALA A 7 -13.645 6.091 -5.179 1.00 0.00 C ATOM 0 H ALA A 7 -16.013 6.722 -4.460 1.00 0.00 H new ATOM 0 HA ALA A 7 -13.667 5.679 -3.078 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -12.557 6.109 -5.249 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -14.008 5.096 -5.437 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -14.065 6.821 -5.871 1.00 0.00 H new ATOM 84 N ASP A 8 -14.256 8.522 -2.500 1.00 0.00 N ATOM 85 CA ASP A 8 -13.741 9.782 -1.963 1.00 0.00 C ATOM 86 C ASP A 8 -12.518 9.467 -1.147 1.00 0.00 C ATOM 87 O ASP A 8 -11.458 10.091 -1.298 1.00 0.00 O ATOM 88 CB ASP A 8 -14.772 10.465 -1.064 1.00 0.00 C ATOM 89 CG ASP A 8 -14.343 11.891 -0.780 1.00 0.00 C ATOM 90 OD1 ASP A 8 -13.305 12.073 -0.181 1.00 0.00 O ATOM 91 OD2 ASP A 8 -15.053 12.789 -1.172 1.00 0.00 O ATOM 0 H ASP A 8 -15.194 8.270 -2.189 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.511 10.456 -2.788 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -15.749 10.459 -1.547 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.875 9.914 -0.129 1.00 0.00 H new ATOM 96 N LYS A 9 -12.636 8.403 -0.396 1.00 0.00 N ATOM 97 CA LYS A 9 -11.546 7.831 0.337 1.00 0.00 C ATOM 98 C LYS A 9 -10.942 6.739 -0.517 1.00 0.00 C ATOM 99 O LYS A 9 -11.633 6.173 -1.372 1.00 0.00 O ATOM 100 CB LYS A 9 -12.060 7.202 1.630 1.00 0.00 C ATOM 101 CG LYS A 9 -12.719 8.272 2.501 1.00 0.00 C ATOM 102 CD LYS A 9 -13.235 7.622 3.783 1.00 0.00 C ATOM 103 CE LYS A 9 -14.071 8.627 4.574 1.00 0.00 C ATOM 104 NZ LYS A 9 -13.269 9.840 4.845 1.00 0.00 N ATOM 0 H LYS A 9 -13.516 7.901 -0.277 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.814 8.602 0.578 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.777 6.414 1.401 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.236 6.736 2.171 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.002 9.057 2.740 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.540 8.744 1.961 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.837 6.746 3.541 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.397 7.276 4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -14.968 8.890 4.013 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -14.402 8.181 5.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.715 10.388 5.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.309 9.564 5.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.218 10.422 3.985 1.00 0.00 H new ATOM 118 N ILE A 10 -9.717 6.375 -0.239 1.00 0.00 N ATOM 119 CA ILE A 10 -9.103 5.282 -0.945 1.00 0.00 C ATOM 120 C ILE A 10 -9.068 4.096 -0.016 1.00 0.00 C ATOM 121 O ILE A 10 -8.578 4.201 1.111 1.00 0.00 O ATOM 122 CB ILE A 10 -7.657 5.626 -1.335 1.00 0.00 C ATOM 123 CG1 ILE A 10 -7.611 6.923 -2.137 1.00 0.00 C ATOM 124 CG2 ILE A 10 -7.079 4.491 -2.196 1.00 0.00 C ATOM 125 CD1 ILE A 10 -6.151 7.335 -2.342 1.00 0.00 C ATOM 0 H ILE A 10 -9.128 6.817 0.467 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.673 5.074 -1.850 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.071 5.749 -0.424 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.102 6.787 -3.101 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.153 7.709 -1.612 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.053 4.732 -2.475 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.092 3.561 -1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.682 4.375 -3.097 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.111 8.262 -2.915 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.676 7.487 -1.373 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.624 6.550 -2.885 1.00 0.00 H new ATOM 137 N LYS A 11 -9.574 2.978 -0.480 1.00 0.00 N ATOM 138 CA LYS A 11 -9.516 1.758 0.286 1.00 0.00 C ATOM 139 C LYS A 11 -8.299 0.989 -0.160 1.00 0.00 C ATOM 140 O LYS A 11 -8.244 0.531 -1.310 1.00 0.00 O ATOM 141 CB LYS A 11 -10.760 0.913 0.036 1.00 0.00 C ATOM 142 CG LYS A 11 -12.004 1.605 0.585 1.00 0.00 C ATOM 143 CD LYS A 11 -13.246 0.781 0.217 1.00 0.00 C ATOM 144 CE LYS A 11 -13.378 -0.421 1.167 1.00 0.00 C ATOM 145 NZ LYS A 11 -12.294 -1.394 0.906 1.00 0.00 N ATOM 0 H LYS A 11 -10.032 2.889 -1.387 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.464 1.992 1.349 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.878 0.738 -1.033 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.643 -0.063 0.507 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.929 1.708 1.668 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.086 2.611 0.174 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.138 1.404 0.279 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.171 0.434 -0.814 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.333 -0.083 2.202 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.348 -0.899 1.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.673 -2.361 0.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.904 -1.232 -0.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.542 -1.274 1.614 1.00 0.00 H new ATOM 159 N CYS A 12 -7.281 0.943 0.665 1.00 0.00 N ATOM 160 CA CYS A 12 -6.041 0.331 0.232 1.00 0.00 C ATOM 161 C CYS A 12 -5.293 -0.347 1.360 1.00 0.00 C ATOM 162 O CYS A 12 -5.571 -0.123 2.549 1.00 0.00 O ATOM 163 CB CYS A 12 -5.145 1.368 -0.480 1.00 0.00 C ATOM 164 SG CYS A 12 -3.569 1.558 0.396 1.00 0.00 S ATOM 0 H CYS A 12 -7.280 1.311 1.616 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.307 -0.454 -0.476 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.961 1.053 -1.507 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.659 2.328 -0.528 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.272 2.820 0.485 1.00 0.00 H new ATOM 170 N SER A 13 -4.281 -1.091 0.970 1.00 0.00 N ATOM 171 CA SER A 13 -3.358 -1.709 1.881 1.00 0.00 C ATOM 172 C SER A 13 -1.947 -1.388 1.413 1.00 0.00 C ATOM 173 O SER A 13 -1.716 -1.254 0.204 1.00 0.00 O ATOM 174 CB SER A 13 -3.578 -3.221 1.904 1.00 0.00 C ATOM 175 OG SER A 13 -4.978 -3.497 2.005 1.00 0.00 O ATOM 0 H SER A 13 -4.077 -1.284 -0.011 1.00 0.00 H new ATOM 0 HA SER A 13 -3.512 -1.329 2.891 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.172 -3.672 0.999 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.047 -3.664 2.747 1.00 0.00 H new ATOM 0 HG SER A 13 -5.120 -4.467 2.018 1.00 0.00 H new ATOM 181 N HIS A 14 -1.008 -1.227 2.337 1.00 0.00 N ATOM 182 CA HIS A 14 0.350 -0.881 1.938 1.00 0.00 C ATOM 183 C HIS A 14 1.403 -1.633 2.722 1.00 0.00 C ATOM 184 O HIS A 14 1.203 -1.985 3.891 1.00 0.00 O ATOM 185 CB HIS A 14 0.569 0.645 1.991 1.00 0.00 C ATOM 186 CG HIS A 14 1.451 1.055 3.147 1.00 0.00 C ATOM 187 ND1 HIS A 14 2.616 1.783 2.962 1.00 0.00 N ATOM 188 CD2 HIS A 14 1.344 0.857 4.497 1.00 0.00 C ATOM 189 CE1 HIS A 14 3.158 1.997 4.180 1.00 0.00 C ATOM 190 NE2 HIS A 14 2.422 1.452 5.151 1.00 0.00 N ATOM 0 H HIS A 14 -1.155 -1.327 3.341 1.00 0.00 H new ATOM 0 HA HIS A 14 0.468 -1.200 0.902 1.00 0.00 H new ATOM 0 HB2 HIS A 14 1.020 0.978 1.056 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.395 1.146 2.076 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.543 0.320 4.983 1.00 0.00 H new ATOM 0 HE1 HIS A 14 4.075 2.542 4.348 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.608 1.467 6.154 1.00 0.00 H new ATOM 198 N ILE A 15 2.517 -1.871 2.058 1.00 0.00 N ATOM 199 CA ILE A 15 3.651 -2.565 2.627 1.00 0.00 C ATOM 200 C ILE A 15 4.903 -1.719 2.415 1.00 0.00 C ATOM 201 O ILE A 15 5.212 -1.343 1.285 1.00 0.00 O ATOM 202 CB ILE A 15 3.786 -3.935 1.924 1.00 0.00 C ATOM 203 CG1 ILE A 15 2.536 -4.766 2.217 1.00 0.00 C ATOM 204 CG2 ILE A 15 5.021 -4.702 2.417 1.00 0.00 C ATOM 205 CD1 ILE A 15 2.501 -5.989 1.305 1.00 0.00 C ATOM 0 H ILE A 15 2.660 -1.581 1.090 1.00 0.00 H new ATOM 0 HA ILE A 15 3.517 -2.725 3.697 1.00 0.00 H new ATOM 0 HB ILE A 15 3.897 -3.762 0.854 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.533 -5.080 3.261 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.642 -4.161 2.064 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.084 -5.660 1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.918 -4.119 2.210 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.939 -4.872 3.490 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.608 -6.577 1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.482 -5.666 0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.387 -6.599 1.480 1.00 0.00 H new ATOM 217 N LEU A 16 5.622 -1.433 3.487 1.00 0.00 N ATOM 218 CA LEU A 16 6.857 -0.663 3.391 1.00 0.00 C ATOM 219 C LEU A 16 8.014 -1.637 3.382 1.00 0.00 C ATOM 220 O LEU A 16 8.196 -2.382 4.345 1.00 0.00 O ATOM 221 CB LEU A 16 6.976 0.285 4.602 1.00 0.00 C ATOM 222 CG LEU A 16 8.193 1.225 4.454 1.00 0.00 C ATOM 223 CD1 LEU A 16 8.019 2.130 3.230 1.00 0.00 C ATOM 224 CD2 LEU A 16 8.313 2.102 5.707 1.00 0.00 C ATOM 0 H LEU A 16 5.375 -1.720 4.434 1.00 0.00 H new ATOM 0 HA LEU A 16 6.862 -0.063 2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.065 0.876 4.696 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.073 -0.299 5.517 1.00 0.00 H new ATOM 0 HG LEU A 16 9.091 0.620 4.330 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.884 2.787 3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.932 1.516 2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.117 2.731 3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.171 2.766 5.605 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.406 2.696 5.824 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.447 1.468 6.583 1.00 0.00 H new ATOM 236 N VAL A 17 8.743 -1.684 2.283 1.00 0.00 N ATOM 237 CA VAL A 17 9.798 -2.667 2.123 1.00 0.00 C ATOM 238 C VAL A 17 11.172 -2.025 2.006 1.00 0.00 C ATOM 239 O VAL A 17 11.315 -0.870 1.567 1.00 0.00 O ATOM 240 CB VAL A 17 9.522 -3.553 0.904 1.00 0.00 C ATOM 241 CG1 VAL A 17 8.216 -4.328 1.109 1.00 0.00 C ATOM 242 CG2 VAL A 17 9.403 -2.694 -0.361 1.00 0.00 C ATOM 0 H VAL A 17 8.625 -1.054 1.489 1.00 0.00 H new ATOM 0 HA VAL A 17 9.803 -3.282 3.023 1.00 0.00 H new ATOM 0 HB VAL A 17 10.350 -4.252 0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.025 -4.956 0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.300 -4.954 1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.392 -3.626 1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.207 -3.336 -1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.584 -1.985 -0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.334 -2.150 -0.520 1.00 0.00 H new ATOM 252 N LYS A 18 12.172 -2.774 2.421 1.00 0.00 N ATOM 253 CA LYS A 18 13.544 -2.316 2.394 1.00 0.00 C ATOM 254 C LYS A 18 14.029 -2.141 0.965 1.00 0.00 C ATOM 255 O LYS A 18 14.810 -1.236 0.668 1.00 0.00 O ATOM 256 CB LYS A 18 14.436 -3.333 3.097 1.00 0.00 C ATOM 257 CG LYS A 18 14.045 -3.431 4.572 1.00 0.00 C ATOM 258 CD LYS A 18 14.950 -4.445 5.271 1.00 0.00 C ATOM 259 CE LYS A 18 14.549 -4.562 6.747 1.00 0.00 C ATOM 260 NZ LYS A 18 13.445 -5.548 6.877 1.00 0.00 N ATOM 0 H LYS A 18 12.056 -3.719 2.787 1.00 0.00 H new ATOM 0 HA LYS A 18 13.593 -1.354 2.904 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.338 -4.308 2.620 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.481 -3.038 3.007 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.137 -2.455 5.049 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.002 -3.734 4.664 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.869 -5.417 4.784 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.992 -4.134 5.190 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.405 -4.875 7.345 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.232 -3.591 7.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.158 -5.618 7.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.634 -5.239 6.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.769 -6.478 6.544 1.00 0.00 H new ATOM 274 N LYS A 19 13.687 -3.106 0.123 1.00 0.00 N ATOM 275 CA LYS A 19 14.214 -3.151 -1.234 1.00 0.00 C ATOM 276 C LYS A 19 13.104 -3.068 -2.276 1.00 0.00 C ATOM 277 O LYS A 19 12.012 -3.625 -2.101 1.00 0.00 O ATOM 278 CB LYS A 19 15.015 -4.440 -1.447 1.00 0.00 C ATOM 279 CG LYS A 19 16.179 -4.536 -0.441 1.00 0.00 C ATOM 280 CD LYS A 19 17.248 -3.473 -0.742 1.00 0.00 C ATOM 281 CE LYS A 19 18.397 -3.598 0.278 1.00 0.00 C ATOM 282 NZ LYS A 19 18.829 -5.022 0.377 1.00 0.00 N ATOM 0 H LYS A 19 13.048 -3.867 0.355 1.00 0.00 H new ATOM 0 HA LYS A 19 14.864 -2.285 -1.359 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.359 -5.303 -1.334 1.00 0.00 H new ATOM 0 HB3 LYS A 19 15.405 -4.467 -2.464 1.00 0.00 H new ATOM 0 HG2 LYS A 19 15.802 -4.402 0.573 1.00 0.00 H new ATOM 0 HG3 LYS A 19 16.624 -5.530 -0.487 1.00 0.00 H new ATOM 0 HD2 LYS A 19 17.630 -3.603 -1.754 1.00 0.00 H new ATOM 0 HD3 LYS A 19 16.810 -2.476 -0.692 1.00 0.00 H new ATOM 0 HE2 LYS A 19 19.237 -2.974 -0.027 1.00 0.00 H new ATOM 0 HE3 LYS A 19 18.071 -3.238 1.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 19.822 -5.063 0.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 18.232 -5.519 1.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 18.735 -5.479 -0.553 1.00 0.00 H new ATOM 296 N GLN A 20 13.443 -2.510 -3.416 1.00 0.00 N ATOM 297 CA GLN A 20 12.535 -2.468 -4.548 1.00 0.00 C ATOM 298 C GLN A 20 12.175 -3.893 -4.951 1.00 0.00 C ATOM 299 O GLN A 20 11.024 -4.194 -5.279 1.00 0.00 O ATOM 300 CB GLN A 20 13.222 -1.747 -5.705 1.00 0.00 C ATOM 301 CG GLN A 20 13.676 -0.362 -5.225 1.00 0.00 C ATOM 302 CD GLN A 20 15.167 -0.393 -4.918 1.00 0.00 C ATOM 303 OE1 GLN A 20 15.611 -1.221 -4.116 1.00 0.00 O ATOM 304 NE2 GLN A 20 15.965 0.447 -5.494 1.00 0.00 N ATOM 0 H GLN A 20 14.349 -2.074 -3.588 1.00 0.00 H new ATOM 0 HA GLN A 20 11.622 -1.933 -4.284 1.00 0.00 H new ATOM 0 HB2 GLN A 20 14.078 -2.324 -6.055 1.00 0.00 H new ATOM 0 HB3 GLN A 20 12.538 -1.649 -6.548 1.00 0.00 H new ATOM 0 HG2 GLN A 20 13.467 0.386 -5.990 1.00 0.00 H new ATOM 0 HG3 GLN A 20 13.117 -0.073 -4.335 1.00 0.00 H new ATOM 0 HE21 GLN A 20 15.596 1.130 -6.156 1.00 0.00 H new ATOM 0 HE22 GLN A 20 16.963 0.427 -5.286 1.00 0.00 H new ATOM 313 N GLY A 21 13.159 -4.772 -4.872 1.00 0.00 N ATOM 314 CA GLY A 21 12.960 -6.180 -5.180 1.00 0.00 C ATOM 315 C GLY A 21 11.952 -6.798 -4.238 1.00 0.00 C ATOM 316 O GLY A 21 11.117 -7.602 -4.655 1.00 0.00 O ATOM 0 H GLY A 21 14.111 -4.534 -4.595 1.00 0.00 H new ATOM 0 HA2 GLY A 21 12.616 -6.287 -6.209 1.00 0.00 H new ATOM 0 HA3 GLY A 21 13.909 -6.711 -5.104 1.00 0.00 H new ATOM 320 N GLU A 22 11.971 -6.365 -2.985 1.00 0.00 N ATOM 321 CA GLU A 22 11.000 -6.840 -2.014 1.00 0.00 C ATOM 322 C GLU A 22 9.616 -6.394 -2.431 1.00 0.00 C ATOM 323 O GLU A 22 8.667 -7.185 -2.435 1.00 0.00 O ATOM 324 CB GLU A 22 11.323 -6.268 -0.634 1.00 0.00 C ATOM 325 CG GLU A 22 12.621 -6.887 -0.094 1.00 0.00 C ATOM 326 CD GLU A 22 13.049 -6.206 1.200 1.00 0.00 C ATOM 327 OE1 GLU A 22 12.335 -5.341 1.669 1.00 0.00 O ATOM 328 OE2 GLU A 22 14.093 -6.553 1.703 1.00 0.00 O ATOM 0 H GLU A 22 12.644 -5.690 -2.620 1.00 0.00 H new ATOM 0 HA GLU A 22 11.039 -7.928 -1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.427 -5.185 -0.696 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.501 -6.471 0.053 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.475 -7.953 0.082 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.411 -6.792 -0.839 1.00 0.00 H new ATOM 335 N ALA A 23 9.515 -5.142 -2.852 1.00 0.00 N ATOM 336 CA ALA A 23 8.240 -4.617 -3.324 1.00 0.00 C ATOM 337 C ALA A 23 7.734 -5.451 -4.492 1.00 0.00 C ATOM 338 O ALA A 23 6.577 -5.875 -4.521 1.00 0.00 O ATOM 339 CB ALA A 23 8.380 -3.152 -3.744 1.00 0.00 C ATOM 0 H ALA A 23 10.288 -4.477 -2.877 1.00 0.00 H new ATOM 0 HA ALA A 23 7.520 -4.673 -2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.417 -2.780 -4.093 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.711 -2.559 -2.891 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.112 -3.072 -4.547 1.00 0.00 H new ATOM 345 N LEU A 24 8.617 -5.722 -5.429 1.00 0.00 N ATOM 346 CA LEU A 24 8.268 -6.544 -6.577 1.00 0.00 C ATOM 347 C LEU A 24 7.908 -7.950 -6.128 1.00 0.00 C ATOM 348 O LEU A 24 6.972 -8.561 -6.652 1.00 0.00 O ATOM 349 CB LEU A 24 9.422 -6.587 -7.576 1.00 0.00 C ATOM 350 CG LEU A 24 9.610 -5.198 -8.198 1.00 0.00 C ATOM 351 CD1 LEU A 24 10.863 -5.192 -9.064 1.00 0.00 C ATOM 352 CD2 LEU A 24 8.398 -4.842 -9.069 1.00 0.00 C ATOM 0 H LEU A 24 9.581 -5.388 -5.422 1.00 0.00 H new ATOM 0 HA LEU A 24 7.402 -6.101 -7.068 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.338 -6.901 -7.076 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.216 -7.321 -8.355 1.00 0.00 H new ATOM 0 HG LEU A 24 9.708 -4.464 -7.398 1.00 0.00 H new ATOM 0 HD11 LEU A 24 10.995 -4.204 -9.505 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.731 -5.434 -8.450 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.761 -5.933 -9.857 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.542 -3.854 -9.506 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.293 -5.579 -9.865 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.497 -4.840 -8.455 1.00 0.00 H new ATOM 364 N ALA A 25 8.667 -8.470 -5.177 1.00 0.00 N ATOM 365 CA ALA A 25 8.440 -9.822 -4.687 1.00 0.00 C ATOM 366 C ALA A 25 7.040 -9.969 -4.118 1.00 0.00 C ATOM 367 O ALA A 25 6.314 -10.902 -4.474 1.00 0.00 O ATOM 368 CB ALA A 25 9.478 -10.194 -3.624 1.00 0.00 C ATOM 0 H ALA A 25 9.442 -7.980 -4.730 1.00 0.00 H new ATOM 0 HA ALA A 25 8.542 -10.502 -5.533 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.290 -11.208 -3.271 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.477 -10.139 -4.056 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.406 -9.500 -2.787 1.00 0.00 H new ATOM 374 N VAL A 26 6.610 -8.998 -3.319 1.00 0.00 N ATOM 375 CA VAL A 26 5.259 -9.033 -2.806 1.00 0.00 C ATOM 376 C VAL A 26 4.296 -8.812 -3.940 1.00 0.00 C ATOM 377 O VAL A 26 3.198 -9.376 -3.968 1.00 0.00 O ATOM 378 CB VAL A 26 5.032 -8.011 -1.671 1.00 0.00 C ATOM 379 CG1 VAL A 26 6.122 -8.160 -0.617 1.00 0.00 C ATOM 380 CG2 VAL A 26 5.048 -6.583 -2.212 1.00 0.00 C ATOM 0 H VAL A 26 7.168 -8.197 -3.022 1.00 0.00 H new ATOM 0 HA VAL A 26 5.085 -10.015 -2.365 1.00 0.00 H new ATOM 0 HB VAL A 26 4.056 -8.207 -1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.957 -7.437 0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.094 -9.169 -0.205 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.096 -7.982 -1.073 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.886 -5.882 -1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.013 -6.381 -2.677 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.257 -6.465 -2.952 1.00 0.00 H new ATOM 390 N GLN A 27 4.716 -7.984 -4.888 1.00 0.00 N ATOM 391 CA GLN A 27 3.873 -7.668 -6.005 1.00 0.00 C ATOM 392 C GLN A 27 3.528 -8.948 -6.747 1.00 0.00 C ATOM 393 O GLN A 27 2.358 -9.218 -7.009 1.00 0.00 O ATOM 394 CB GLN A 27 4.585 -6.693 -6.953 1.00 0.00 C ATOM 395 CG GLN A 27 3.589 -6.196 -7.987 1.00 0.00 C ATOM 396 CD GLN A 27 4.249 -5.223 -8.948 1.00 0.00 C ATOM 397 OE1 GLN A 27 3.853 -3.994 -8.996 1.00 0.00 O flip ATOM 398 NE2 GLN A 27 5.168 -5.603 -9.676 1.00 0.00 N flip ATOM 0 H GLN A 27 5.629 -7.529 -4.896 1.00 0.00 H new ATOM 0 HA GLN A 27 2.960 -7.195 -5.643 1.00 0.00 H new ATOM 0 HB2 GLN A 27 4.996 -5.854 -6.392 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.422 -7.189 -7.444 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.181 -7.041 -8.541 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.752 -5.709 -7.487 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.481 -6.573 -9.638 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.616 -4.947 -10.316 1.00 0.00 H new ATOM 407 N GLU A 28 4.538 -9.775 -6.996 1.00 0.00 N ATOM 408 CA GLU A 28 4.321 -11.072 -7.627 1.00 0.00 C ATOM 409 C GLU A 28 3.598 -12.031 -6.694 1.00 0.00 C ATOM 410 O GLU A 28 2.749 -12.816 -7.132 1.00 0.00 O ATOM 411 CB GLU A 28 5.639 -11.703 -8.085 1.00 0.00 C ATOM 412 CG GLU A 28 6.165 -10.976 -9.328 1.00 0.00 C ATOM 413 CD GLU A 28 6.697 -11.984 -10.319 1.00 0.00 C ATOM 414 OE1 GLU A 28 5.925 -12.800 -10.766 1.00 0.00 O ATOM 415 OE2 GLU A 28 7.865 -11.934 -10.619 1.00 0.00 O ATOM 0 H GLU A 28 5.512 -9.571 -6.771 1.00 0.00 H new ATOM 0 HA GLU A 28 3.696 -10.892 -8.502 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.375 -11.649 -7.283 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.488 -12.759 -8.308 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.367 -10.390 -9.784 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.953 -10.277 -9.047 1.00 0.00 H new ATOM 422 N ARG A 29 3.995 -12.018 -5.433 1.00 0.00 N ATOM 423 CA ARG A 29 3.458 -12.943 -4.450 1.00 0.00 C ATOM 424 C ARG A 29 1.956 -12.759 -4.297 1.00 0.00 C ATOM 425 O ARG A 29 1.208 -13.734 -4.199 1.00 0.00 O ATOM 426 CB ARG A 29 4.181 -12.805 -3.106 1.00 0.00 C ATOM 427 CG ARG A 29 3.659 -13.865 -2.130 1.00 0.00 C ATOM 428 CD ARG A 29 4.451 -13.795 -0.825 1.00 0.00 C ATOM 429 NE ARG A 29 4.040 -14.870 0.067 1.00 0.00 N ATOM 430 CZ ARG A 29 4.356 -14.884 1.361 1.00 0.00 C ATOM 431 NH1 ARG A 29 5.152 -13.977 1.851 1.00 0.00 N ATOM 432 NH2 ARG A 29 3.871 -15.805 2.131 1.00 0.00 N ATOM 0 H ARG A 29 4.693 -11.372 -5.064 1.00 0.00 H new ATOM 0 HA ARG A 29 3.633 -13.957 -4.810 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.256 -12.923 -3.246 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.020 -11.808 -2.696 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.599 -13.702 -1.933 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.752 -14.857 -2.571 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.518 -13.873 -1.033 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.290 -12.830 -0.344 1.00 0.00 H new ATOM 0 HE ARG A 29 3.490 -15.640 -0.313 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.535 -13.253 1.243 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.392 -13.991 2.842 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.249 -16.516 1.746 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.111 -15.819 3.122 1.00 0.00 H new ATOM 446 N LEU A 30 1.503 -11.521 -4.326 1.00 0.00 N ATOM 447 CA LEU A 30 0.078 -11.257 -4.234 1.00 0.00 C ATOM 448 C LEU A 30 -0.643 -11.903 -5.397 1.00 0.00 C ATOM 449 O LEU A 30 -1.694 -12.529 -5.215 1.00 0.00 O ATOM 450 CB LEU A 30 -0.206 -9.747 -4.194 1.00 0.00 C ATOM 451 CG LEU A 30 -0.205 -9.222 -2.741 1.00 0.00 C ATOM 452 CD1 LEU A 30 -1.582 -9.453 -2.122 1.00 0.00 C ATOM 453 CD2 LEU A 30 0.860 -9.934 -1.889 1.00 0.00 C ATOM 0 H LEU A 30 2.090 -10.691 -4.411 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.291 -11.688 -3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.547 -9.216 -4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.171 -9.542 -4.658 1.00 0.00 H new ATOM 0 HG LEU A 30 0.029 -8.158 -2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.586 -9.084 -1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.336 -8.921 -2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.808 -10.519 -2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.835 -9.542 -0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.655 -11.004 -1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.846 -9.761 -2.320 1.00 0.00 H new ATOM 465 N LYS A 31 -0.042 -11.839 -6.571 1.00 0.00 N ATOM 466 CA LYS A 31 -0.626 -12.486 -7.735 1.00 0.00 C ATOM 467 C LYS A 31 -0.628 -13.998 -7.531 1.00 0.00 C ATOM 468 O LYS A 31 -1.242 -14.741 -8.300 1.00 0.00 O ATOM 469 CB LYS A 31 0.142 -12.131 -9.017 1.00 0.00 C ATOM 470 CG LYS A 31 0.499 -10.631 -9.046 1.00 0.00 C ATOM 471 CD LYS A 31 -0.733 -9.769 -8.738 1.00 0.00 C ATOM 472 CE LYS A 31 -0.366 -8.281 -8.897 1.00 0.00 C ATOM 473 NZ LYS A 31 -0.539 -7.872 -10.311 1.00 0.00 N ATOM 0 H LYS A 31 0.838 -11.353 -6.745 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.649 -12.128 -7.848 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.053 -12.727 -9.077 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.462 -12.382 -9.889 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.283 -10.425 -8.317 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.897 -10.367 -10.026 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.550 -10.028 -9.412 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.082 -9.963 -7.724 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.997 -7.670 -8.252 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.665 -8.115 -8.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.074 -6.955 -10.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.112 -8.587 -10.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.553 -7.787 -10.526 1.00 0.00 H new ATOM 487 N ALA A 32 0.053 -14.447 -6.478 1.00 0.00 N ATOM 488 CA ALA A 32 0.088 -15.855 -6.127 1.00 0.00 C ATOM 489 C ALA A 32 -1.078 -16.196 -5.211 1.00 0.00 C ATOM 490 O ALA A 32 -1.292 -17.361 -4.864 1.00 0.00 O ATOM 491 CB ALA A 32 1.418 -16.220 -5.463 1.00 0.00 C ATOM 0 H ALA A 32 0.590 -13.846 -5.852 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.002 -16.440 -7.042 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.419 -17.280 -5.210 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.237 -16.010 -6.150 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.546 -15.630 -4.555 1.00 0.00 H new ATOM 497 N GLY A 33 -1.851 -15.179 -4.844 1.00 0.00 N ATOM 498 CA GLY A 33 -3.040 -15.376 -4.021 1.00 0.00 C ATOM 499 C GLY A 33 -2.724 -15.394 -2.532 1.00 0.00 C ATOM 500 O GLY A 33 -3.590 -15.722 -1.713 1.00 0.00 O ATOM 0 H GLY A 33 -1.675 -14.208 -5.104 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.756 -14.581 -4.227 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.518 -16.315 -4.299 1.00 0.00 H new ATOM 504 N GLU A 34 -1.510 -15.015 -2.166 1.00 0.00 N ATOM 505 CA GLU A 34 -1.153 -14.971 -0.757 1.00 0.00 C ATOM 506 C GLU A 34 -1.698 -13.726 -0.085 1.00 0.00 C ATOM 507 O GLU A 34 -1.997 -12.724 -0.743 1.00 0.00 O ATOM 508 CB GLU A 34 0.351 -15.101 -0.533 1.00 0.00 C ATOM 509 CG GLU A 34 0.789 -16.532 -0.868 1.00 0.00 C ATOM 510 CD GLU A 34 1.984 -16.911 -0.030 1.00 0.00 C ATOM 511 OE1 GLU A 34 1.841 -16.992 1.171 1.00 0.00 O ATOM 512 OE2 GLU A 34 3.038 -17.098 -0.586 1.00 0.00 O ATOM 0 H GLU A 34 -0.769 -14.739 -2.810 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.621 -15.838 -0.291 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.887 -14.388 -1.159 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.598 -14.865 0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.031 -17.226 -0.683 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.037 -16.607 -1.927 1.00 0.00 H new ATOM 519 N LYS A 35 -1.902 -13.828 1.213 1.00 0.00 N ATOM 520 CA LYS A 35 -2.493 -12.755 1.988 1.00 0.00 C ATOM 521 C LYS A 35 -1.599 -11.510 1.938 1.00 0.00 C ATOM 522 O LYS A 35 -0.439 -11.547 2.370 1.00 0.00 O ATOM 523 CB LYS A 35 -2.647 -13.228 3.444 1.00 0.00 C ATOM 524 CG LYS A 35 -3.523 -12.272 4.260 1.00 0.00 C ATOM 525 CD LYS A 35 -4.999 -12.476 3.882 1.00 0.00 C ATOM 526 CE LYS A 35 -5.892 -11.790 4.920 1.00 0.00 C ATOM 527 NZ LYS A 35 -5.759 -12.496 6.225 1.00 0.00 N ATOM 0 H LYS A 35 -1.663 -14.655 1.760 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.467 -12.497 1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.086 -14.226 3.458 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.664 -13.306 3.907 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.382 -12.453 5.326 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.228 -11.240 4.070 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.192 -12.064 2.892 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.230 -13.540 3.835 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.606 -10.744 5.028 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.931 -11.804 4.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.624 -12.357 6.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.615 -13.512 6.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.945 -12.112 6.746 1.00 0.00 H new ATOM 541 N PHE A 36 -2.183 -10.386 1.552 1.00 0.00 N ATOM 542 CA PHE A 36 -1.463 -9.118 1.549 1.00 0.00 C ATOM 543 C PHE A 36 -0.973 -8.864 2.955 1.00 0.00 C ATOM 544 O PHE A 36 0.183 -8.520 3.178 1.00 0.00 O ATOM 545 CB PHE A 36 -2.404 -7.975 1.119 1.00 0.00 C ATOM 546 CG PHE A 36 -1.628 -6.684 0.928 1.00 0.00 C ATOM 547 CD1 PHE A 36 -1.029 -6.407 -0.310 1.00 0.00 C ATOM 548 CD2 PHE A 36 -1.511 -5.767 1.978 1.00 0.00 C ATOM 549 CE1 PHE A 36 -0.323 -5.214 -0.496 1.00 0.00 C ATOM 550 CE2 PHE A 36 -0.802 -4.575 1.789 1.00 0.00 C ATOM 551 CZ PHE A 36 -0.209 -4.299 0.551 1.00 0.00 C ATOM 0 H PHE A 36 -3.151 -10.324 1.237 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.629 -9.161 0.849 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.909 -8.243 0.191 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.178 -7.832 1.873 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.113 -7.116 -1.120 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.967 -5.979 2.934 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.134 -5.001 -1.451 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.712 -3.867 2.600 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.336 -3.378 0.407 1.00 0.00 H new ATOM 561 N GLY A 37 -1.853 -9.097 3.902 1.00 0.00 N ATOM 562 CA GLY A 37 -1.535 -8.926 5.302 1.00 0.00 C ATOM 563 C GLY A 37 -0.390 -9.822 5.737 1.00 0.00 C ATOM 564 O GLY A 37 0.458 -9.417 6.545 1.00 0.00 O ATOM 0 H GLY A 37 -2.808 -9.410 3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.273 -7.885 5.490 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.417 -9.146 5.904 1.00 0.00 H new ATOM 568 N LYS A 38 -0.350 -11.034 5.212 1.00 0.00 N ATOM 569 CA LYS A 38 0.732 -11.945 5.537 1.00 0.00 C ATOM 570 C LYS A 38 2.046 -11.330 5.085 1.00 0.00 C ATOM 571 O LYS A 38 2.979 -11.192 5.872 1.00 0.00 O ATOM 572 CB LYS A 38 0.487 -13.321 4.892 1.00 0.00 C ATOM 573 CG LYS A 38 1.569 -14.327 5.295 1.00 0.00 C ATOM 574 CD LYS A 38 1.198 -15.710 4.719 1.00 0.00 C ATOM 575 CE LYS A 38 2.269 -16.749 5.081 1.00 0.00 C ATOM 576 NZ LYS A 38 2.753 -16.526 6.459 1.00 0.00 N ATOM 0 H LYS A 38 -1.046 -11.407 4.566 1.00 0.00 H new ATOM 0 HA LYS A 38 0.778 -12.104 6.614 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.491 -13.696 5.192 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.469 -13.218 3.807 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.541 -14.009 4.917 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.651 -14.379 6.381 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.230 -16.025 5.110 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.098 -15.644 3.636 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.856 -17.754 4.991 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.101 -16.683 4.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.172 -17.404 6.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.472 -15.774 6.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.957 -16.242 7.065 1.00 0.00 H new ATOM 590 N LEU A 39 2.041 -10.778 3.883 1.00 0.00 N ATOM 591 CA LEU A 39 3.191 -10.020 3.408 1.00 0.00 C ATOM 592 C LEU A 39 3.430 -8.814 4.297 1.00 0.00 C ATOM 593 O LEU A 39 4.583 -8.461 4.586 1.00 0.00 O ATOM 594 CB LEU A 39 2.996 -9.544 1.957 1.00 0.00 C ATOM 595 CG LEU A 39 3.380 -10.651 0.962 1.00 0.00 C ATOM 596 CD1 LEU A 39 4.887 -10.916 1.059 1.00 0.00 C ATOM 597 CD2 LEU A 39 2.601 -11.938 1.267 1.00 0.00 C ATOM 0 H LEU A 39 1.265 -10.838 3.224 1.00 0.00 H new ATOM 0 HA LEU A 39 4.054 -10.685 3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.957 -9.254 1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.605 -8.658 1.775 1.00 0.00 H new ATOM 0 HG LEU A 39 3.129 -10.328 -0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.165 -11.701 0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.433 -10.004 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.136 -11.232 2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.884 -12.712 0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.834 -12.273 2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.531 -11.744 1.186 1.00 0.00 H new ATOM 609 N ALA A 40 2.346 -8.149 4.685 1.00 0.00 N ATOM 610 CA ALA A 40 2.461 -6.946 5.475 1.00 0.00 C ATOM 611 C ALA A 40 3.229 -7.225 6.754 1.00 0.00 C ATOM 612 O ALA A 40 4.249 -6.590 7.020 1.00 0.00 O ATOM 613 CB ALA A 40 1.083 -6.372 5.796 1.00 0.00 C ATOM 0 H ALA A 40 1.390 -8.426 4.463 1.00 0.00 H new ATOM 0 HA ALA A 40 3.010 -6.207 4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.196 -5.466 6.392 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.563 -6.134 4.868 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.505 -7.106 6.357 1.00 0.00 H new ATOM 619 N LYS A 41 2.807 -8.238 7.486 1.00 0.00 N ATOM 620 CA LYS A 41 3.542 -8.664 8.670 1.00 0.00 C ATOM 621 C LYS A 41 4.922 -9.222 8.331 1.00 0.00 C ATOM 622 O LYS A 41 5.872 -9.045 9.098 1.00 0.00 O ATOM 623 CB LYS A 41 2.739 -9.637 9.540 1.00 0.00 C ATOM 624 CG LYS A 41 1.623 -8.872 10.279 1.00 0.00 C ATOM 625 CD LYS A 41 0.822 -9.854 11.149 1.00 0.00 C ATOM 626 CE LYS A 41 -0.075 -9.083 12.134 1.00 0.00 C ATOM 627 NZ LYS A 41 -0.721 -7.922 11.470 1.00 0.00 N ATOM 0 H LYS A 41 1.966 -8.780 7.287 1.00 0.00 H new ATOM 0 HA LYS A 41 3.700 -7.764 9.264 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.306 -10.422 8.920 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.397 -10.125 10.259 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.055 -8.087 10.900 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.964 -8.384 9.561 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.210 -10.497 10.516 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.503 -10.503 11.698 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.839 -9.750 12.533 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.520 -8.738 12.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.563 -7.637 12.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.051 -7.128 11.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.002 -8.187 10.504 1.00 0.00 H new ATOM 641 N GLU A 42 5.012 -9.978 7.246 1.00 0.00 N ATOM 642 CA GLU A 42 6.256 -10.658 6.911 1.00 0.00 C ATOM 643 C GLU A 42 7.373 -9.722 6.461 1.00 0.00 C ATOM 644 O GLU A 42 8.524 -9.888 6.882 1.00 0.00 O ATOM 645 CB GLU A 42 6.010 -11.725 5.838 1.00 0.00 C ATOM 646 CG GLU A 42 5.316 -12.939 6.461 1.00 0.00 C ATOM 647 CD GLU A 42 5.026 -13.998 5.414 1.00 0.00 C ATOM 648 OE1 GLU A 42 5.418 -13.829 4.271 1.00 0.00 O ATOM 649 OE2 GLU A 42 4.435 -14.980 5.771 1.00 0.00 O ATOM 0 H GLU A 42 4.248 -10.135 6.589 1.00 0.00 H new ATOM 0 HA GLU A 42 6.597 -11.123 7.836 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.394 -11.314 5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.956 -12.027 5.389 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.946 -13.360 7.244 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.385 -12.627 6.935 1.00 0.00 H new ATOM 656 N LEU A 43 7.080 -8.817 5.553 1.00 0.00 N ATOM 657 CA LEU A 43 8.132 -7.959 4.994 1.00 0.00 C ATOM 658 C LEU A 43 8.191 -6.612 5.644 1.00 0.00 C ATOM 659 O LEU A 43 9.265 -6.029 5.784 1.00 0.00 O ATOM 660 CB LEU A 43 7.905 -7.731 3.508 1.00 0.00 C ATOM 661 CG LEU A 43 8.496 -8.872 2.702 1.00 0.00 C ATOM 662 CD1 LEU A 43 7.656 -10.129 2.912 1.00 0.00 C ATOM 663 CD2 LEU A 43 8.496 -8.475 1.230 1.00 0.00 C ATOM 0 H LEU A 43 6.144 -8.648 5.184 1.00 0.00 H new ATOM 0 HA LEU A 43 9.068 -8.486 5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.837 -7.649 3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.361 -6.789 3.204 1.00 0.00 H new ATOM 0 HG LEU A 43 9.517 -9.077 3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.079 -10.950 2.334 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.654 -10.393 3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.634 -9.943 2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.918 -9.285 0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.474 -8.281 0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.096 -7.575 1.096 1.00 0.00 H new ATOM 675 N SER A 44 7.044 -6.002 5.707 1.00 0.00 N ATOM 676 CA SER A 44 6.955 -4.589 5.924 1.00 0.00 C ATOM 677 C SER A 44 7.769 -4.117 7.116 1.00 0.00 C ATOM 678 O SER A 44 7.739 -4.723 8.194 1.00 0.00 O ATOM 679 CB SER A 44 5.512 -4.215 6.098 1.00 0.00 C ATOM 680 OG SER A 44 4.737 -5.034 5.251 1.00 0.00 O ATOM 0 H SER A 44 6.143 -6.471 5.609 1.00 0.00 H new ATOM 0 HA SER A 44 7.378 -4.092 5.051 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.208 -4.347 7.136 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.360 -3.164 5.853 1.00 0.00 H new ATOM 0 HG SER A 44 4.675 -5.934 5.633 1.00 0.00 H new ATOM 686 N ILE A 45 8.420 -2.980 6.937 1.00 0.00 N ATOM 687 CA ILE A 45 9.167 -2.337 8.000 1.00 0.00 C ATOM 688 C ILE A 45 8.315 -1.247 8.639 1.00 0.00 C ATOM 689 O ILE A 45 8.682 -0.658 9.654 1.00 0.00 O ATOM 690 CB ILE A 45 10.503 -1.793 7.466 1.00 0.00 C ATOM 691 CG1 ILE A 45 10.257 -0.784 6.339 1.00 0.00 C ATOM 692 CG2 ILE A 45 11.345 -2.950 6.922 1.00 0.00 C ATOM 693 CD1 ILE A 45 11.596 -0.199 5.875 1.00 0.00 C ATOM 0 H ILE A 45 8.444 -2.478 6.049 1.00 0.00 H new ATOM 0 HA ILE A 45 9.407 -3.068 8.772 1.00 0.00 H new ATOM 0 HB ILE A 45 11.029 -1.298 8.282 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.752 -1.271 5.505 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.601 0.014 6.687 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.292 -2.565 6.544 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.538 -3.666 7.721 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.806 -3.444 6.114 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.421 0.519 5.073 1.00 0.00 H new ATOM 0 HD12 ILE A 45 12.083 0.302 6.711 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.237 -1.002 5.510 1.00 0.00 H new ATOM 705 N ASP A 46 7.117 -1.067 8.089 1.00 0.00 N ATOM 706 CA ASP A 46 6.130 -0.156 8.648 1.00 0.00 C ATOM 707 C ASP A 46 5.278 -0.914 9.659 1.00 0.00 C ATOM 708 O ASP A 46 4.329 -1.622 9.290 1.00 0.00 O ATOM 709 CB ASP A 46 5.252 0.418 7.514 1.00 0.00 C ATOM 710 CG ASP A 46 4.253 1.444 8.031 1.00 0.00 C ATOM 711 OD1 ASP A 46 3.752 1.282 9.124 1.00 0.00 O ATOM 712 OD2 ASP A 46 3.957 2.365 7.297 1.00 0.00 O ATOM 0 H ASP A 46 6.806 -1.549 7.245 1.00 0.00 H new ATOM 0 HA ASP A 46 6.626 0.675 9.150 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.890 0.880 6.760 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.716 -0.395 7.023 1.00 0.00 H new ATOM 717 N GLY A 47 5.673 -0.834 10.921 1.00 0.00 N ATOM 718 CA GLY A 47 5.000 -1.571 11.980 1.00 0.00 C ATOM 719 C GLY A 47 3.560 -1.129 12.111 1.00 0.00 C ATOM 720 O GLY A 47 2.649 -1.959 12.177 1.00 0.00 O ATOM 0 H GLY A 47 6.458 -0.265 11.237 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.039 -2.639 11.767 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.520 -1.415 12.925 1.00 0.00 H new ATOM 724 N GLY A 48 3.335 0.174 12.035 1.00 0.00 N ATOM 725 CA GLY A 48 1.981 0.699 12.106 1.00 0.00 C ATOM 726 C GLY A 48 1.118 0.004 11.073 1.00 0.00 C ATOM 727 O GLY A 48 -0.003 -0.422 11.360 1.00 0.00 O ATOM 0 H GLY A 48 4.063 0.880 11.925 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.570 0.543 13.104 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.986 1.774 11.928 1.00 0.00 H new ATOM 731 N SER A 49 1.674 -0.177 9.897 1.00 0.00 N ATOM 732 CA SER A 49 0.994 -0.908 8.848 1.00 0.00 C ATOM 733 C SER A 49 0.954 -2.413 9.144 1.00 0.00 C ATOM 734 O SER A 49 -0.031 -3.090 8.832 1.00 0.00 O ATOM 735 CB SER A 49 1.668 -0.630 7.515 1.00 0.00 C ATOM 736 OG SER A 49 1.763 0.785 7.345 1.00 0.00 O ATOM 0 H SER A 49 2.597 0.172 9.641 1.00 0.00 H new ATOM 0 HA SER A 49 -0.040 -0.566 8.801 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.659 -1.083 7.489 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.095 -1.072 6.700 1.00 0.00 H new ATOM 0 HG SER A 49 0.869 1.157 7.194 1.00 0.00 H new ATOM 742 N ALA A 50 1.993 -2.916 9.797 1.00 0.00 N ATOM 743 CA ALA A 50 2.064 -4.331 10.156 1.00 0.00 C ATOM 744 C ALA A 50 0.940 -4.695 11.109 1.00 0.00 C ATOM 745 O ALA A 50 0.412 -5.817 11.080 1.00 0.00 O ATOM 746 CB ALA A 50 3.416 -4.664 10.795 1.00 0.00 C ATOM 0 H ALA A 50 2.801 -2.366 10.090 1.00 0.00 H new ATOM 0 HA ALA A 50 1.957 -4.915 9.242 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.445 -5.722 11.054 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.217 -4.440 10.090 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.549 -4.066 11.697 1.00 0.00 H new ATOM 752 N LYS A 51 0.574 -3.744 11.944 1.00 0.00 N ATOM 753 CA LYS A 51 -0.474 -3.940 12.927 1.00 0.00 C ATOM 754 C LYS A 51 -1.776 -4.235 12.217 1.00 0.00 C ATOM 755 O LYS A 51 -2.563 -5.073 12.653 1.00 0.00 O ATOM 756 CB LYS A 51 -0.649 -2.646 13.735 1.00 0.00 C ATOM 757 CG LYS A 51 0.626 -2.329 14.531 1.00 0.00 C ATOM 758 CD LYS A 51 0.708 -3.208 15.781 1.00 0.00 C ATOM 759 CE LYS A 51 1.999 -2.896 16.563 1.00 0.00 C ATOM 760 NZ LYS A 51 2.453 -1.507 16.269 1.00 0.00 N ATOM 0 H LYS A 51 0.993 -2.814 11.961 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.207 -4.768 13.584 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.879 -1.819 13.063 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.494 -2.748 14.416 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.503 -2.493 13.905 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.631 -1.277 14.817 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.162 -3.034 16.415 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.691 -4.260 15.497 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.822 -3.010 17.632 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.779 -3.607 16.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.242 -1.259 16.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.768 -1.447 15.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.666 -0.845 16.422 1.00 0.00 H new ATOM 774 N ARG A 52 -2.012 -3.501 11.150 1.00 0.00 N ATOM 775 CA ARG A 52 -3.249 -3.606 10.401 1.00 0.00 C ATOM 776 C ARG A 52 -3.080 -4.489 9.167 1.00 0.00 C ATOM 777 O ARG A 52 -3.952 -4.518 8.288 1.00 0.00 O ATOM 778 CB ARG A 52 -3.736 -2.218 9.993 1.00 0.00 C ATOM 779 CG ARG A 52 -3.970 -1.366 11.250 1.00 0.00 C ATOM 780 CD ARG A 52 -4.523 0.001 10.842 1.00 0.00 C ATOM 781 NE ARG A 52 -5.891 -0.157 10.350 1.00 0.00 N ATOM 782 CZ ARG A 52 -6.399 0.572 9.356 1.00 0.00 C ATOM 783 NH1 ARG A 52 -5.661 1.447 8.729 1.00 0.00 N ATOM 784 NH2 ARG A 52 -7.647 0.404 9.011 1.00 0.00 N ATOM 0 H ARG A 52 -1.354 -2.816 10.777 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.994 -4.072 11.046 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.000 -1.738 9.348 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.659 -2.299 9.419 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.669 -1.869 11.918 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.036 -1.244 11.799 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.507 0.681 11.694 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.895 0.444 10.069 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.486 -0.860 10.789 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.686 1.578 8.998 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.059 2.000 7.970 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.224 -0.280 9.501 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.045 0.957 8.252 1.00 0.00 H new ATOM 798 N ASP A 53 -1.938 -5.157 9.068 1.00 0.00 N ATOM 799 CA ASP A 53 -1.621 -5.992 7.902 1.00 0.00 C ATOM 800 C ASP A 53 -1.526 -5.141 6.654 1.00 0.00 C ATOM 801 O ASP A 53 -1.917 -5.564 5.564 1.00 0.00 O ATOM 802 CB ASP A 53 -2.692 -7.069 7.682 1.00 0.00 C ATOM 803 CG ASP A 53 -2.648 -8.136 8.751 1.00 0.00 C ATOM 804 OD1 ASP A 53 -1.599 -8.358 9.307 1.00 0.00 O ATOM 805 OD2 ASP A 53 -3.669 -8.725 9.001 1.00 0.00 O ATOM 0 H ASP A 53 -1.209 -5.141 9.781 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.664 -6.475 8.098 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.678 -6.604 7.674 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.549 -7.529 6.704 1.00 0.00 H new ATOM 810 N GLY A 54 -1.066 -3.926 6.821 1.00 0.00 N ATOM 811 CA GLY A 54 -0.958 -3.001 5.712 1.00 0.00 C ATOM 812 C GLY A 54 -2.319 -2.456 5.325 1.00 0.00 C ATOM 813 O GLY A 54 -2.410 -1.468 4.608 1.00 0.00 O ATOM 0 H GLY A 54 -0.758 -3.550 7.718 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.296 -2.178 5.983 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.507 -3.504 4.857 1.00 0.00 H new ATOM 817 N SER A 55 -3.376 -3.097 5.811 1.00 0.00 N ATOM 818 CA SER A 55 -4.732 -2.681 5.502 1.00 0.00 C ATOM 819 C SER A 55 -5.008 -1.286 6.038 1.00 0.00 C ATOM 820 O SER A 55 -5.514 -1.122 7.148 1.00 0.00 O ATOM 821 CB SER A 55 -5.736 -3.679 6.088 1.00 0.00 C ATOM 822 OG SER A 55 -5.117 -4.957 6.180 1.00 0.00 O ATOM 0 H SER A 55 -3.315 -3.910 6.423 1.00 0.00 H new ATOM 0 HA SER A 55 -4.843 -2.658 4.418 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.065 -3.348 7.073 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.623 -3.735 5.458 1.00 0.00 H new ATOM 0 HG SER A 55 -4.991 -5.192 7.123 1.00 0.00 H new ATOM 828 N LEU A 56 -4.726 -0.292 5.231 1.00 0.00 N ATOM 829 CA LEU A 56 -5.005 1.070 5.600 1.00 0.00 C ATOM 830 C LEU A 56 -6.498 1.219 5.757 1.00 0.00 C ATOM 831 O LEU A 56 -6.983 1.930 6.647 1.00 0.00 O ATOM 832 CB LEU A 56 -4.508 2.022 4.512 1.00 0.00 C ATOM 833 CG LEU A 56 -2.979 1.948 4.421 1.00 0.00 C ATOM 834 CD1 LEU A 56 -2.498 2.779 3.236 1.00 0.00 C ATOM 835 CD2 LEU A 56 -2.349 2.477 5.710 1.00 0.00 C ATOM 0 H LEU A 56 -4.301 -0.404 4.310 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.497 1.313 6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.952 1.757 3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.820 3.042 4.737 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.681 0.909 4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.411 2.726 3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.935 2.389 2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.803 3.817 3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.263 2.420 5.634 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.648 3.514 5.862 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.686 1.875 6.554 1.00 0.00 H new ATOM 847 N GLY A 57 -7.219 0.580 4.846 1.00 0.00 N ATOM 848 CA GLY A 57 -8.661 0.673 4.790 1.00 0.00 C ATOM 849 C GLY A 57 -9.028 1.871 3.954 1.00 0.00 C ATOM 850 O GLY A 57 -8.236 2.287 3.103 1.00 0.00 O ATOM 0 H GLY A 57 -6.814 -0.018 4.126 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.083 -0.234 4.358 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.074 0.770 5.794 1.00 0.00 H new ATOM 854 N TYR A 58 -10.172 2.469 4.232 1.00 0.00 N ATOM 855 CA TYR A 58 -10.572 3.681 3.533 1.00 0.00 C ATOM 856 C TYR A 58 -9.958 4.893 4.204 1.00 0.00 C ATOM 857 O TYR A 58 -10.065 5.053 5.428 1.00 0.00 O ATOM 858 CB TYR A 58 -12.111 3.844 3.492 1.00 0.00 C ATOM 859 CG TYR A 58 -12.779 2.953 4.516 1.00 0.00 C ATOM 860 CD1 TYR A 58 -12.554 3.160 5.882 1.00 0.00 C ATOM 861 CD2 TYR A 58 -13.621 1.920 4.097 1.00 0.00 C ATOM 862 CE1 TYR A 58 -13.168 2.336 6.823 1.00 0.00 C ATOM 863 CE2 TYR A 58 -14.236 1.097 5.042 1.00 0.00 C ATOM 864 CZ TYR A 58 -14.009 1.307 6.403 1.00 0.00 C ATOM 865 OH TYR A 58 -14.613 0.498 7.336 1.00 0.00 O ATOM 0 H TYR A 58 -10.838 2.140 4.931 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.213 3.598 2.507 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -12.375 4.884 3.683 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.480 3.599 2.496 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -11.904 3.959 6.207 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.796 1.758 3.044 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -12.992 2.495 7.877 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -14.887 0.298 4.720 1.00 0.00 H new ATOM 0 HH TYR A 58 -15.168 -0.169 6.880 1.00 0.00 H new ATOM 875 N PHE A 59 -9.349 5.754 3.416 1.00 0.00 N ATOM 876 CA PHE A 59 -8.785 6.992 3.940 1.00 0.00 C ATOM 877 C PHE A 59 -8.981 8.116 2.954 1.00 0.00 C ATOM 878 O PHE A 59 -8.997 7.895 1.750 1.00 0.00 O ATOM 879 CB PHE A 59 -7.290 6.823 4.271 1.00 0.00 C ATOM 880 CG PHE A 59 -6.507 6.425 3.028 1.00 0.00 C ATOM 881 CD1 PHE A 59 -5.983 7.409 2.173 1.00 0.00 C ATOM 882 CD2 PHE A 59 -6.296 5.070 2.739 1.00 0.00 C ATOM 883 CE1 PHE A 59 -5.254 7.036 1.037 1.00 0.00 C ATOM 884 CE2 PHE A 59 -5.569 4.698 1.602 1.00 0.00 C ATOM 885 CZ PHE A 59 -5.047 5.679 0.752 1.00 0.00 C ATOM 0 H PHE A 59 -9.229 5.625 2.411 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.309 7.239 4.863 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.894 7.755 4.674 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.167 6.064 5.043 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -6.143 8.454 2.392 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.695 4.311 3.395 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.851 7.793 0.381 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.411 3.653 1.381 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.485 5.391 -0.124 1.00 0.00 H new ATOM 895 N GLY A 60 -9.130 9.319 3.461 1.00 0.00 N ATOM 896 CA GLY A 60 -9.322 10.469 2.599 1.00 0.00 C ATOM 897 C GLY A 60 -7.991 10.908 2.030 1.00 0.00 C ATOM 898 O GLY A 60 -6.946 10.718 2.662 1.00 0.00 O ATOM 0 H GLY A 60 -9.122 9.529 4.459 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.009 10.219 1.791 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.775 11.285 3.161 1.00 0.00 H new ATOM 902 N ARG A 61 -8.018 11.490 0.851 1.00 0.00 N ATOM 903 CA ARG A 61 -6.808 11.932 0.203 1.00 0.00 C ATOM 904 C ARG A 61 -6.214 13.126 0.930 1.00 0.00 C ATOM 905 O ARG A 61 -6.944 13.934 1.510 1.00 0.00 O ATOM 906 CB ARG A 61 -7.079 12.243 -1.277 1.00 0.00 C ATOM 907 CG ARG A 61 -7.771 13.609 -1.461 1.00 0.00 C ATOM 908 CD ARG A 61 -9.152 13.633 -0.790 1.00 0.00 C ATOM 909 NE ARG A 61 -10.032 12.598 -1.350 1.00 0.00 N ATOM 910 CZ ARG A 61 -10.706 12.773 -2.490 1.00 0.00 C ATOM 911 NH1 ARG A 61 -10.481 13.822 -3.235 1.00 0.00 N ATOM 912 NH2 ARG A 61 -11.541 11.871 -2.869 1.00 0.00 N ATOM 0 H ARG A 61 -8.871 11.668 0.321 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.072 11.129 0.245 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.138 12.236 -1.828 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.704 11.459 -1.704 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.146 14.395 -1.038 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.878 13.824 -2.524 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.041 13.478 0.283 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.608 14.614 -0.925 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.132 11.714 -0.850 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.788 14.513 -2.947 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.999 13.951 -4.104 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.682 11.035 -2.301 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.063 11.991 -3.737 1.00 0.00 H new ATOM 926 N GLY A 62 -4.902 13.180 0.967 1.00 0.00 N ATOM 927 CA GLY A 62 -4.186 14.205 1.704 1.00 0.00 C ATOM 928 C GLY A 62 -3.563 13.604 2.962 1.00 0.00 C ATOM 929 O GLY A 62 -2.587 14.129 3.500 1.00 0.00 O ATOM 0 H GLY A 62 -4.297 12.514 0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.409 14.641 1.076 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.867 15.012 1.975 1.00 0.00 H new ATOM 933 N LYS A 63 -4.101 12.470 3.383 1.00 0.00 N ATOM 934 CA LYS A 63 -3.645 11.772 4.579 1.00 0.00 C ATOM 935 C LYS A 63 -2.191 11.302 4.471 1.00 0.00 C ATOM 936 O LYS A 63 -1.450 11.342 5.458 1.00 0.00 O ATOM 937 CB LYS A 63 -4.573 10.576 4.879 1.00 0.00 C ATOM 938 CG LYS A 63 -4.149 9.868 6.178 1.00 0.00 C ATOM 939 CD LYS A 63 -4.341 10.816 7.368 1.00 0.00 C ATOM 940 CE LYS A 63 -4.248 10.029 8.683 1.00 0.00 C ATOM 941 NZ LYS A 63 -2.906 9.406 8.797 1.00 0.00 N ATOM 0 H LYS A 63 -4.871 12.004 2.903 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.686 12.485 5.402 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.603 10.922 4.968 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.544 9.870 4.049 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.741 8.964 6.321 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.106 9.559 6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.582 11.598 7.347 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.310 11.310 7.298 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.425 10.693 9.529 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.020 9.261 8.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.770 9.049 9.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.831 8.618 8.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.175 10.115 8.584 1.00 0.00 H new ATOM 955 N MET A 64 -1.815 10.767 3.325 1.00 0.00 N ATOM 956 CA MET A 64 -0.485 10.170 3.158 1.00 0.00 C ATOM 957 C MET A 64 0.309 10.855 2.072 1.00 0.00 C ATOM 958 O MET A 64 -0.241 11.612 1.264 1.00 0.00 O ATOM 959 CB MET A 64 -0.601 8.677 2.871 1.00 0.00 C ATOM 960 CG MET A 64 -1.143 7.966 4.115 1.00 0.00 C ATOM 961 SD MET A 64 -1.349 6.213 3.758 1.00 0.00 S ATOM 962 CE MET A 64 -2.832 6.385 2.741 1.00 0.00 C ATOM 0 H MET A 64 -2.403 10.729 2.493 1.00 0.00 H new ATOM 0 HA MET A 64 0.054 10.310 4.095 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.264 8.508 2.023 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.373 8.270 2.600 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.458 8.100 4.952 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.097 8.403 4.411 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.265 5.401 2.559 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.558 7.011 3.260 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.569 6.847 1.789 1.00 0.00 H new ATOM 972 N VAL A 65 1.622 10.671 2.109 1.00 0.00 N ATOM 973 CA VAL A 65 2.491 11.321 1.154 1.00 0.00 C ATOM 974 C VAL A 65 1.889 11.233 -0.243 1.00 0.00 C ATOM 975 O VAL A 65 1.415 10.172 -0.674 1.00 0.00 O ATOM 976 CB VAL A 65 3.908 10.722 1.190 1.00 0.00 C ATOM 977 CG1 VAL A 65 4.532 10.963 2.567 1.00 0.00 C ATOM 978 CG2 VAL A 65 3.854 9.219 0.919 1.00 0.00 C ATOM 0 H VAL A 65 2.101 10.079 2.788 1.00 0.00 H new ATOM 0 HA VAL A 65 2.579 12.373 1.427 1.00 0.00 H new ATOM 0 HB VAL A 65 4.512 11.203 0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.536 10.538 2.591 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.587 12.035 2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.919 10.488 3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.863 8.808 0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.243 8.734 1.680 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.418 9.042 -0.064 1.00 0.00 H new ATOM 988 N LYS A 66 1.796 12.371 -0.882 1.00 0.00 N ATOM 989 CA LYS A 66 1.132 12.489 -2.159 1.00 0.00 C ATOM 990 C LYS A 66 1.510 11.378 -3.134 1.00 0.00 C ATOM 991 O LYS A 66 0.633 10.794 -3.752 1.00 0.00 O ATOM 992 CB LYS A 66 1.356 13.867 -2.762 1.00 0.00 C ATOM 993 CG LYS A 66 0.947 14.945 -1.734 1.00 0.00 C ATOM 994 CD LYS A 66 -0.571 14.867 -1.447 1.00 0.00 C ATOM 995 CE LYS A 66 -0.822 14.783 0.074 1.00 0.00 C ATOM 996 NZ LYS A 66 -1.394 13.452 0.435 1.00 0.00 N ATOM 0 H LYS A 66 2.180 13.248 -0.531 1.00 0.00 H new ATOM 0 HA LYS A 66 0.065 12.369 -1.970 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.403 13.990 -3.038 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.770 13.977 -3.675 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.506 14.805 -0.809 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.201 15.934 -2.114 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.072 15.744 -1.858 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.998 13.995 -1.942 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.112 14.942 0.612 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.506 15.575 0.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.729 13.474 1.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.190 13.233 -0.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.661 12.721 0.335 1.00 0.00 H new ATOM 1010 N PRO A 67 2.777 11.058 -3.286 1.00 0.00 N ATOM 1011 CA PRO A 67 3.149 9.958 -4.231 1.00 0.00 C ATOM 1012 C PRO A 67 2.501 8.634 -3.830 1.00 0.00 C ATOM 1013 O PRO A 67 2.032 7.874 -4.681 1.00 0.00 O ATOM 1014 CB PRO A 67 4.682 9.875 -4.129 1.00 0.00 C ATOM 1015 CG PRO A 67 5.014 10.508 -2.817 1.00 0.00 C ATOM 1016 CD PRO A 67 3.978 11.617 -2.628 1.00 0.00 C ATOM 0 HA PRO A 67 2.806 10.155 -5.247 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.025 8.841 -4.167 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.162 10.401 -4.954 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.964 9.781 -2.006 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.026 10.912 -2.821 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.800 11.829 -1.574 1.00 0.00 H new ATOM 0 HD3 PRO A 67 4.296 12.551 -3.092 1.00 0.00 H new ATOM 1024 N PHE A 68 2.381 8.419 -2.524 1.00 0.00 N ATOM 1025 CA PHE A 68 1.696 7.238 -2.014 1.00 0.00 C ATOM 1026 C PHE A 68 0.245 7.247 -2.461 1.00 0.00 C ATOM 1027 O PHE A 68 -0.265 6.262 -3.007 1.00 0.00 O ATOM 1028 CB PHE A 68 1.757 7.204 -0.484 1.00 0.00 C ATOM 1029 CG PHE A 68 1.083 5.956 0.015 1.00 0.00 C ATOM 1030 CD1 PHE A 68 -0.299 5.947 0.231 1.00 0.00 C ATOM 1031 CD2 PHE A 68 1.838 4.808 0.259 1.00 0.00 C ATOM 1032 CE1 PHE A 68 -0.923 4.792 0.689 1.00 0.00 C ATOM 1033 CE2 PHE A 68 1.213 3.655 0.721 1.00 0.00 C ATOM 1034 CZ PHE A 68 -0.169 3.645 0.933 1.00 0.00 C ATOM 0 H PHE A 68 2.747 9.043 -1.804 1.00 0.00 H new ATOM 0 HA PHE A 68 2.193 6.352 -2.410 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.794 7.229 -0.150 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.267 8.085 -0.070 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.881 6.837 0.042 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.905 4.815 0.089 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.990 4.783 0.855 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.795 2.767 0.916 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.653 2.747 1.287 1.00 0.00 H new ATOM 1044 N GLU A 69 -0.409 8.381 -2.258 1.00 0.00 N ATOM 1045 CA GLU A 69 -1.809 8.528 -2.638 1.00 0.00 C ATOM 1046 C GLU A 69 -1.962 8.460 -4.145 1.00 0.00 C ATOM 1047 O GLU A 69 -2.881 7.810 -4.662 1.00 0.00 O ATOM 1048 CB GLU A 69 -2.366 9.854 -2.107 1.00 0.00 C ATOM 1049 CG GLU A 69 -2.472 9.789 -0.575 1.00 0.00 C ATOM 1050 CD GLU A 69 -2.914 11.123 0.004 1.00 0.00 C ATOM 1051 OE1 GLU A 69 -3.026 12.084 -0.744 1.00 0.00 O ATOM 1052 OE2 GLU A 69 -3.145 11.182 1.185 1.00 0.00 O ATOM 0 H GLU A 69 0.004 9.211 -1.834 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.375 7.708 -2.197 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.716 10.678 -2.403 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.346 10.049 -2.542 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.182 9.013 -0.290 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.507 9.509 -0.153 1.00 0.00 H new ATOM 1059 N ASP A 70 -1.045 9.105 -4.848 1.00 0.00 N ATOM 1060 CA ASP A 70 -1.083 9.139 -6.299 1.00 0.00 C ATOM 1061 C ASP A 70 -1.078 7.729 -6.845 1.00 0.00 C ATOM 1062 O ASP A 70 -1.914 7.374 -7.681 1.00 0.00 O ATOM 1063 CB ASP A 70 0.123 9.919 -6.843 1.00 0.00 C ATOM 1064 CG ASP A 70 -0.044 10.190 -8.323 1.00 0.00 C ATOM 1065 OD1 ASP A 70 -0.981 10.876 -8.678 1.00 0.00 O ATOM 1066 OD2 ASP A 70 0.764 9.719 -9.091 1.00 0.00 O ATOM 0 H ASP A 70 -0.263 9.613 -4.435 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.996 9.641 -6.617 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.227 10.861 -6.304 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.038 9.351 -6.672 1.00 0.00 H new ATOM 1071 N ALA A 71 -0.185 6.905 -6.313 1.00 0.00 N ATOM 1072 CA ALA A 71 -0.130 5.499 -6.690 1.00 0.00 C ATOM 1073 C ALA A 71 -1.390 4.766 -6.239 1.00 0.00 C ATOM 1074 O ALA A 71 -1.891 3.885 -6.937 1.00 0.00 O ATOM 1075 CB ALA A 71 1.107 4.826 -6.085 1.00 0.00 C ATOM 0 H ALA A 71 0.510 7.185 -5.621 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.065 5.447 -7.777 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.130 3.776 -6.378 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.006 5.324 -6.448 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.066 4.898 -4.998 1.00 0.00 H new ATOM 1081 N ALA A 72 -1.882 5.114 -5.056 1.00 0.00 N ATOM 1082 CA ALA A 72 -3.056 4.444 -4.497 1.00 0.00 C ATOM 1083 C ALA A 72 -4.250 4.571 -5.432 1.00 0.00 C ATOM 1084 O ALA A 72 -4.988 3.606 -5.646 1.00 0.00 O ATOM 1085 CB ALA A 72 -3.406 5.031 -3.126 1.00 0.00 C ATOM 0 H ALA A 72 -1.492 5.850 -4.467 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.815 3.387 -4.381 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.282 4.521 -2.725 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.564 4.896 -2.447 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.621 6.094 -3.230 1.00 0.00 H new ATOM 1091 N PHE A 73 -4.419 5.746 -6.008 1.00 0.00 N ATOM 1092 CA PHE A 73 -5.510 5.973 -6.952 1.00 0.00 C ATOM 1093 C PHE A 73 -5.347 5.121 -8.205 1.00 0.00 C ATOM 1094 O PHE A 73 -6.328 4.670 -8.798 1.00 0.00 O ATOM 1095 CB PHE A 73 -5.622 7.455 -7.330 1.00 0.00 C ATOM 1096 CG PHE A 73 -6.230 8.231 -6.184 1.00 0.00 C ATOM 1097 CD1 PHE A 73 -7.601 8.125 -5.925 1.00 0.00 C ATOM 1098 CD2 PHE A 73 -5.431 9.058 -5.385 1.00 0.00 C ATOM 1099 CE1 PHE A 73 -8.171 8.841 -4.867 1.00 0.00 C ATOM 1100 CE2 PHE A 73 -6.000 9.771 -4.329 1.00 0.00 C ATOM 1101 CZ PHE A 73 -7.372 9.662 -4.070 1.00 0.00 C ATOM 0 H PHE A 73 -3.822 6.557 -5.844 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.432 5.675 -6.453 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.636 7.854 -7.569 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.236 7.567 -8.223 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.219 7.490 -6.542 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.373 9.144 -5.586 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -9.229 8.758 -4.667 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.383 10.407 -3.712 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.812 10.214 -3.253 1.00 0.00 H new ATOM 1111 N ARG A 74 -4.113 4.923 -8.619 1.00 0.00 N ATOM 1112 CA ARG A 74 -3.816 4.186 -9.846 1.00 0.00 C ATOM 1113 C ARG A 74 -4.373 2.774 -9.796 1.00 0.00 C ATOM 1114 O ARG A 74 -4.442 2.099 -10.826 1.00 0.00 O ATOM 1115 CB ARG A 74 -2.306 4.088 -10.050 1.00 0.00 C ATOM 1116 CG ARG A 74 -1.700 5.476 -10.243 1.00 0.00 C ATOM 1117 CD ARG A 74 -2.076 6.022 -11.624 1.00 0.00 C ATOM 1118 NE ARG A 74 -1.775 5.031 -12.662 1.00 0.00 N ATOM 1119 CZ ARG A 74 -0.524 4.670 -12.949 1.00 0.00 C ATOM 1120 NH1 ARG A 74 0.474 5.216 -12.311 1.00 0.00 N ATOM 1121 NH2 ARG A 74 -0.302 3.779 -13.864 1.00 0.00 N ATOM 0 H ARG A 74 -3.288 5.262 -8.124 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.282 4.731 -10.667 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -1.848 3.601 -9.189 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.090 3.467 -10.919 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -2.059 6.150 -9.466 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.616 5.426 -10.145 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.137 6.272 -11.647 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.527 6.943 -11.820 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.544 4.606 -13.179 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.297 5.919 -11.593 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.431 4.940 -12.530 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.084 3.355 -14.363 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.655 3.502 -14.085 1.00 0.00 H new ATOM 1135 N LEU A 75 -4.584 2.268 -8.598 1.00 0.00 N ATOM 1136 CA LEU A 75 -4.939 0.867 -8.435 1.00 0.00 C ATOM 1137 C LEU A 75 -6.418 0.651 -8.301 1.00 0.00 C ATOM 1138 O LEU A 75 -6.838 -0.463 -8.015 1.00 0.00 O ATOM 1139 CB LEU A 75 -4.241 0.264 -7.234 1.00 0.00 C ATOM 1140 CG LEU A 75 -2.737 0.405 -7.383 1.00 0.00 C ATOM 1141 CD1 LEU A 75 -2.079 -0.184 -6.156 1.00 0.00 C ATOM 1142 CD2 LEU A 75 -2.258 -0.353 -8.625 1.00 0.00 C ATOM 0 H LEU A 75 -4.518 2.797 -7.729 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.607 0.369 -9.346 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.573 0.761 -6.323 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.508 -0.788 -7.138 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.475 1.458 -7.490 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.996 -0.092 -6.244 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.418 0.352 -5.269 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.348 -1.237 -6.069 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.178 -0.245 -8.723 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.510 -1.409 -8.527 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.745 0.055 -9.511 1.00 0.00 H new ATOM 1154 N GLN A 76 -7.202 1.704 -8.445 1.00 0.00 N ATOM 1155 CA GLN A 76 -8.643 1.603 -8.263 1.00 0.00 C ATOM 1156 C GLN A 76 -9.250 0.409 -8.997 1.00 0.00 C ATOM 1157 O GLN A 76 -10.303 -0.101 -8.606 1.00 0.00 O ATOM 1158 CB GLN A 76 -9.344 2.913 -8.614 1.00 0.00 C ATOM 1159 CG GLN A 76 -9.013 3.942 -7.524 1.00 0.00 C ATOM 1160 CD GLN A 76 -9.596 3.492 -6.180 1.00 0.00 C ATOM 1161 OE1 GLN A 76 -10.528 2.679 -6.144 1.00 0.00 O ATOM 1162 NE2 GLN A 76 -9.101 3.948 -5.076 1.00 0.00 N ATOM 0 H GLN A 76 -6.869 2.637 -8.687 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.812 1.418 -7.202 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -9.013 3.272 -9.589 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.421 2.762 -8.679 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.933 4.059 -7.440 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.419 4.916 -7.797 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.333 4.618 -5.100 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.479 3.637 -4.181 1.00 0.00 H new ATOM 1171 N VAL A 77 -8.542 -0.097 -9.985 1.00 0.00 N ATOM 1172 CA VAL A 77 -8.966 -1.296 -10.683 1.00 0.00 C ATOM 1173 C VAL A 77 -9.029 -2.483 -9.706 1.00 0.00 C ATOM 1174 O VAL A 77 -9.966 -3.289 -9.748 1.00 0.00 O ATOM 1175 CB VAL A 77 -8.003 -1.598 -11.853 1.00 0.00 C ATOM 1176 CG1 VAL A 77 -6.580 -1.835 -11.326 1.00 0.00 C ATOM 1177 CG2 VAL A 77 -8.476 -2.834 -12.622 1.00 0.00 C ATOM 0 H VAL A 77 -7.668 0.304 -10.325 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.963 -1.136 -11.092 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.997 -0.739 -12.523 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.913 -2.047 -12.162 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.233 -0.945 -10.801 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.582 -2.682 -10.640 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.789 -3.036 -13.444 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.501 -3.692 -11.951 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -9.475 -2.655 -13.020 1.00 0.00 H new ATOM 1187 N GLY A 78 -8.045 -2.562 -8.818 1.00 0.00 N ATOM 1188 CA GLY A 78 -7.940 -3.648 -7.840 1.00 0.00 C ATOM 1189 C GLY A 78 -6.615 -4.346 -7.987 1.00 0.00 C ATOM 1190 O GLY A 78 -6.557 -5.562 -8.163 1.00 0.00 O ATOM 0 H GLY A 78 -7.294 -1.875 -8.752 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.041 -3.250 -6.830 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.753 -4.359 -7.985 1.00 0.00 H new ATOM 1194 N GLU A 79 -5.568 -3.563 -8.043 1.00 0.00 N ATOM 1195 CA GLU A 79 -4.242 -4.074 -8.320 1.00 0.00 C ATOM 1196 C GLU A 79 -3.254 -3.739 -7.211 1.00 0.00 C ATOM 1197 O GLU A 79 -3.576 -3.001 -6.271 1.00 0.00 O ATOM 1198 CB GLU A 79 -3.727 -3.528 -9.657 1.00 0.00 C ATOM 1199 CG GLU A 79 -3.684 -4.643 -10.723 1.00 0.00 C ATOM 1200 CD GLU A 79 -2.716 -5.767 -10.328 1.00 0.00 C ATOM 1201 OE1 GLU A 79 -1.999 -5.617 -9.369 1.00 0.00 O ATOM 1202 OE2 GLU A 79 -2.708 -6.775 -10.995 1.00 0.00 O ATOM 0 H GLU A 79 -5.606 -2.554 -7.899 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.323 -5.160 -8.376 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.372 -2.718 -9.997 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.730 -3.107 -9.524 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.684 -5.055 -10.860 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.380 -4.220 -11.680 1.00 0.00 H new ATOM 1209 N VAL A 80 -2.045 -4.257 -7.369 1.00 0.00 N ATOM 1210 CA VAL A 80 -0.933 -3.988 -6.486 1.00 0.00 C ATOM 1211 C VAL A 80 0.049 -3.108 -7.258 1.00 0.00 C ATOM 1212 O VAL A 80 0.306 -3.344 -8.445 1.00 0.00 O ATOM 1213 CB VAL A 80 -0.244 -5.309 -6.092 1.00 0.00 C ATOM 1214 CG1 VAL A 80 1.023 -5.021 -5.276 1.00 0.00 C ATOM 1215 CG2 VAL A 80 -1.200 -6.185 -5.275 1.00 0.00 C ATOM 0 H VAL A 80 -1.810 -4.890 -8.134 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.272 -3.494 -5.576 1.00 0.00 H new ATOM 0 HB VAL A 80 0.032 -5.841 -7.002 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.502 -5.962 -5.003 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.712 -4.423 -5.873 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.757 -4.474 -4.372 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.700 -7.115 -5.004 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.496 -5.655 -4.370 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.086 -6.410 -5.870 1.00 0.00 H new ATOM 1225 N SER A 81 0.478 -2.045 -6.635 1.00 0.00 N ATOM 1226 CA SER A 81 1.301 -1.038 -7.282 1.00 0.00 C ATOM 1227 C SER A 81 2.731 -1.489 -7.462 1.00 0.00 C ATOM 1228 O SER A 81 3.204 -2.396 -6.764 1.00 0.00 O ATOM 1229 CB SER A 81 1.258 0.244 -6.456 1.00 0.00 C ATOM 1230 OG SER A 81 1.407 -0.095 -5.077 1.00 0.00 O ATOM 0 H SER A 81 0.270 -1.844 -5.657 1.00 0.00 H new ATOM 0 HA SER A 81 0.896 -0.864 -8.279 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.054 0.921 -6.767 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.315 0.766 -6.617 1.00 0.00 H new ATOM 0 HG SER A 81 2.106 0.463 -4.676 1.00 0.00 H new ATOM 1236 N GLU A 82 3.441 -0.792 -8.333 1.00 0.00 N ATOM 1237 CA GLU A 82 4.859 -0.994 -8.477 1.00 0.00 C ATOM 1238 C GLU A 82 5.525 -0.455 -7.237 1.00 0.00 C ATOM 1239 O GLU A 82 4.919 0.321 -6.501 1.00 0.00 O ATOM 1240 CB GLU A 82 5.371 -0.231 -9.702 1.00 0.00 C ATOM 1241 CG GLU A 82 4.471 -0.533 -10.900 1.00 0.00 C ATOM 1242 CD GLU A 82 3.520 0.624 -11.142 1.00 0.00 C ATOM 1243 OE1 GLU A 82 2.770 0.949 -10.250 1.00 0.00 O ATOM 1244 OE2 GLU A 82 3.551 1.169 -12.224 1.00 0.00 O ATOM 0 H GLU A 82 3.050 -0.080 -8.950 1.00 0.00 H new ATOM 0 HA GLU A 82 5.081 -2.053 -8.608 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.379 0.840 -9.500 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.398 -0.522 -9.922 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.080 -0.705 -11.788 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.905 -1.447 -10.719 1.00 0.00 H new ATOM 1251 N PRO A 83 6.755 -0.781 -7.010 1.00 0.00 N ATOM 1252 CA PRO A 83 7.449 -0.223 -5.824 1.00 0.00 C ATOM 1253 C PRO A 83 7.379 1.300 -5.874 1.00 0.00 C ATOM 1254 O PRO A 83 7.711 1.907 -6.901 1.00 0.00 O ATOM 1255 CB PRO A 83 8.895 -0.695 -6.005 1.00 0.00 C ATOM 1256 CG PRO A 83 8.799 -1.939 -6.833 1.00 0.00 C ATOM 1257 CD PRO A 83 7.576 -1.765 -7.735 1.00 0.00 C ATOM 0 HA PRO A 83 7.019 -0.537 -4.873 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.498 0.064 -6.503 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.367 -0.897 -5.043 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.702 -2.081 -7.427 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.692 -2.820 -6.200 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.855 -1.404 -8.725 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.044 -2.706 -7.877 1.00 0.00 H new ATOM 1265 N VAL A 84 6.983 1.911 -4.774 1.00 0.00 N ATOM 1266 CA VAL A 84 6.892 3.359 -4.705 1.00 0.00 C ATOM 1267 C VAL A 84 7.845 3.868 -3.652 1.00 0.00 C ATOM 1268 O VAL A 84 7.753 3.485 -2.496 1.00 0.00 O ATOM 1269 CB VAL A 84 5.443 3.767 -4.360 1.00 0.00 C ATOM 1270 CG1 VAL A 84 5.382 5.235 -3.913 1.00 0.00 C ATOM 1271 CG2 VAL A 84 4.548 3.574 -5.589 1.00 0.00 C ATOM 0 H VAL A 84 6.719 1.428 -3.915 1.00 0.00 H new ATOM 0 HA VAL A 84 7.161 3.794 -5.667 1.00 0.00 H new ATOM 0 HB VAL A 84 5.093 3.137 -3.542 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.352 5.500 -3.675 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.005 5.373 -3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.745 5.875 -4.717 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.526 3.862 -5.344 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.914 4.195 -6.407 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.567 2.527 -5.892 1.00 0.00 H new ATOM 1281 N LYS A 85 8.729 4.768 -4.034 1.00 0.00 N ATOM 1282 CA LYS A 85 9.647 5.332 -3.077 1.00 0.00 C ATOM 1283 C LYS A 85 9.099 6.590 -2.455 1.00 0.00 C ATOM 1284 O LYS A 85 8.693 7.516 -3.156 1.00 0.00 O ATOM 1285 CB LYS A 85 11.031 5.589 -3.680 1.00 0.00 C ATOM 1286 CG LYS A 85 11.940 6.174 -2.586 1.00 0.00 C ATOM 1287 CD LYS A 85 13.366 6.340 -3.107 1.00 0.00 C ATOM 1288 CE LYS A 85 14.227 6.995 -2.016 1.00 0.00 C ATOM 1289 NZ LYS A 85 13.812 6.492 -0.679 1.00 0.00 N ATOM 0 H LYS A 85 8.828 5.118 -4.987 1.00 0.00 H new ATOM 0 HA LYS A 85 9.765 4.587 -2.291 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.453 4.662 -4.067 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.956 6.280 -4.519 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.551 7.139 -2.260 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.939 5.519 -1.715 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.781 5.370 -3.382 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.368 6.955 -4.007 1.00 0.00 H new ATOM 0 HE2 LYS A 85 15.280 6.772 -2.188 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.120 8.079 -2.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.542 6.729 0.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.912 6.935 -0.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.692 5.460 -0.718 1.00 0.00 H new ATOM 1303 N SER A 86 9.178 6.650 -1.156 1.00 0.00 N ATOM 1304 CA SER A 86 8.805 7.812 -0.415 1.00 0.00 C ATOM 1305 C SER A 86 10.020 8.310 0.328 1.00 0.00 C ATOM 1306 O SER A 86 11.118 7.717 0.235 1.00 0.00 O ATOM 1307 CB SER A 86 7.736 7.426 0.603 1.00 0.00 C ATOM 1308 OG SER A 86 8.316 6.499 1.536 1.00 0.00 O ATOM 0 H SER A 86 9.509 5.878 -0.577 1.00 0.00 H new ATOM 0 HA SER A 86 8.422 8.582 -1.085 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.371 8.311 1.124 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.880 6.975 0.102 1.00 0.00 H new ATOM 0 HG SER A 86 7.607 5.965 1.950 1.00 0.00 H new ATOM 1314 N GLU A 87 9.796 9.275 1.179 1.00 0.00 N ATOM 1315 CA GLU A 87 10.811 9.726 2.092 1.00 0.00 C ATOM 1316 C GLU A 87 11.082 8.593 3.069 1.00 0.00 C ATOM 1317 O GLU A 87 12.225 8.346 3.477 1.00 0.00 O ATOM 1318 CB GLU A 87 10.330 10.978 2.866 1.00 0.00 C ATOM 1319 CG GLU A 87 8.827 11.260 2.599 1.00 0.00 C ATOM 1320 CD GLU A 87 8.593 11.615 1.142 1.00 0.00 C ATOM 1321 OE1 GLU A 87 9.200 12.551 0.678 1.00 0.00 O ATOM 1322 OE2 GLU A 87 7.826 10.931 0.507 1.00 0.00 O ATOM 0 H GLU A 87 8.907 9.769 1.259 1.00 0.00 H new ATOM 0 HA GLU A 87 11.714 9.996 1.545 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.491 10.833 3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 87 10.923 11.843 2.569 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.236 10.383 2.863 1.00 0.00 H new ATOM 0 HG3 GLU A 87 8.487 12.077 3.236 1.00 0.00 H new ATOM 1329 N PHE A 88 9.999 7.925 3.446 1.00 0.00 N ATOM 1330 CA PHE A 88 10.024 6.827 4.404 1.00 0.00 C ATOM 1331 C PHE A 88 10.821 5.649 3.862 1.00 0.00 C ATOM 1332 O PHE A 88 11.633 5.046 4.579 1.00 0.00 O ATOM 1333 CB PHE A 88 8.585 6.356 4.674 1.00 0.00 C ATOM 1334 CG PHE A 88 7.706 7.506 5.157 1.00 0.00 C ATOM 1335 CD1 PHE A 88 8.248 8.775 5.434 1.00 0.00 C ATOM 1336 CD2 PHE A 88 6.330 7.294 5.311 1.00 0.00 C ATOM 1337 CE1 PHE A 88 7.414 9.816 5.858 1.00 0.00 C ATOM 1338 CE2 PHE A 88 5.503 8.338 5.738 1.00 0.00 C ATOM 1339 CZ PHE A 88 6.042 9.596 6.011 1.00 0.00 C ATOM 0 H PHE A 88 9.066 8.133 3.090 1.00 0.00 H new ATOM 0 HA PHE A 88 10.493 7.184 5.321 1.00 0.00 H new ATOM 0 HB2 PHE A 88 8.163 5.930 3.764 1.00 0.00 H new ATOM 0 HB3 PHE A 88 8.594 5.563 5.422 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.308 8.946 5.319 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.907 6.323 5.100 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.831 10.790 6.067 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.443 8.170 5.857 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.399 10.399 6.340 1.00 0.00 H new ATOM 1349 N GLY A 89 10.549 5.290 2.617 1.00 0.00 N ATOM 1350 CA GLY A 89 11.181 4.129 1.998 1.00 0.00 C ATOM 1351 C GLY A 89 10.382 3.663 0.791 1.00 0.00 C ATOM 1352 O GLY A 89 9.692 4.459 0.155 1.00 0.00 O ATOM 0 H GLY A 89 9.894 5.785 2.012 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.197 4.381 1.693 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.258 3.320 2.724 1.00 0.00 H new ATOM 1356 N TYR A 90 10.444 2.374 0.499 1.00 0.00 N ATOM 1357 CA TYR A 90 9.703 1.807 -0.623 1.00 0.00 C ATOM 1358 C TYR A 90 8.389 1.204 -0.169 1.00 0.00 C ATOM 1359 O TYR A 90 8.352 0.403 0.761 1.00 0.00 O ATOM 1360 CB TYR A 90 10.545 0.751 -1.356 1.00 0.00 C ATOM 1361 CG TYR A 90 11.334 1.413 -2.457 1.00 0.00 C ATOM 1362 CD1 TYR A 90 10.744 1.597 -3.715 1.00 0.00 C ATOM 1363 CD2 TYR A 90 12.640 1.851 -2.225 1.00 0.00 C ATOM 1364 CE1 TYR A 90 11.460 2.216 -4.737 1.00 0.00 C ATOM 1365 CE2 TYR A 90 13.356 2.473 -3.253 1.00 0.00 C ATOM 1366 CZ TYR A 90 12.765 2.655 -4.508 1.00 0.00 C ATOM 1367 OH TYR A 90 13.462 3.269 -5.518 1.00 0.00 O ATOM 0 H TYR A 90 11.000 1.697 1.022 1.00 0.00 H new ATOM 0 HA TYR A 90 9.483 2.621 -1.314 1.00 0.00 H new ATOM 0 HB2 TYR A 90 11.220 0.259 -0.656 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.898 -0.021 -1.772 1.00 0.00 H new ATOM 0 HD1 TYR A 90 9.734 1.259 -3.892 1.00 0.00 H new ATOM 0 HD2 TYR A 90 13.095 1.710 -1.256 1.00 0.00 H new ATOM 0 HE1 TYR A 90 11.005 2.356 -5.707 1.00 0.00 H new ATOM 0 HE2 TYR A 90 14.366 2.813 -3.078 1.00 0.00 H new ATOM 0 HH TYR A 90 14.354 3.515 -5.197 1.00 0.00 H new ATOM 1377 N HIS A 91 7.315 1.588 -0.845 1.00 0.00 N ATOM 1378 CA HIS A 91 5.980 1.115 -0.534 1.00 0.00 C ATOM 1379 C HIS A 91 5.459 0.209 -1.623 1.00 0.00 C ATOM 1380 O HIS A 91 5.607 0.511 -2.813 1.00 0.00 O ATOM 1381 CB HIS A 91 4.999 2.292 -0.427 1.00 0.00 C ATOM 1382 CG HIS A 91 5.408 3.248 0.649 1.00 0.00 C ATOM 1383 ND1 HIS A 91 4.708 3.352 1.835 1.00 0.00 N ATOM 1384 CD2 HIS A 91 6.409 4.173 0.718 1.00 0.00 C ATOM 1385 CE1 HIS A 91 5.292 4.318 2.564 1.00 0.00 C ATOM 1386 NE2 HIS A 91 6.336 4.848 1.930 1.00 0.00 N ATOM 0 H HIS A 91 7.349 2.240 -1.628 1.00 0.00 H new ATOM 0 HA HIS A 91 6.049 0.578 0.412 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.951 2.816 -1.382 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.998 1.915 -0.219 1.00 0.00 H new ATOM 0 HD1 HIS A 91 3.897 2.797 2.108 1.00 0.00 H new ATOM 0 HD2 HIS A 91 7.145 4.353 -0.052 1.00 0.00 H new ATOM 0 HE1 HIS A 91 4.956 4.626 3.543 1.00 0.00 H new ATOM 1394 N VAL A 92 4.672 -0.761 -1.210 1.00 0.00 N ATOM 1395 CA VAL A 92 3.870 -1.555 -2.115 1.00 0.00 C ATOM 1396 C VAL A 92 2.421 -1.301 -1.743 1.00 0.00 C ATOM 1397 O VAL A 92 2.045 -1.490 -0.581 1.00 0.00 O ATOM 1398 CB VAL A 92 4.195 -3.051 -1.947 1.00 0.00 C ATOM 1399 CG1 VAL A 92 3.830 -3.821 -3.224 1.00 0.00 C ATOM 1400 CG2 VAL A 92 5.686 -3.228 -1.645 1.00 0.00 C ATOM 0 H VAL A 92 4.570 -1.023 -0.229 1.00 0.00 H new ATOM 0 HA VAL A 92 4.071 -1.285 -3.152 1.00 0.00 H new ATOM 0 HB VAL A 92 3.609 -3.446 -1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.065 -4.877 -3.092 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.765 -3.709 -3.425 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.401 -3.425 -4.064 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.910 -4.288 -1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.275 -2.822 -2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 92 5.936 -2.700 -0.725 1.00 0.00 H new ATOM 1410 N ILE A 93 1.628 -0.807 -2.676 1.00 0.00 N ATOM 1411 CA ILE A 93 0.247 -0.462 -2.368 1.00 0.00 C ATOM 1412 C ILE A 93 -0.702 -1.379 -3.103 1.00 0.00 C ATOM 1413 O ILE A 93 -0.647 -1.476 -4.325 1.00 0.00 O ATOM 1414 CB ILE A 93 -0.039 1.002 -2.751 1.00 0.00 C ATOM 1415 CG1 ILE A 93 0.893 1.927 -1.966 1.00 0.00 C ATOM 1416 CG2 ILE A 93 -1.495 1.361 -2.414 1.00 0.00 C ATOM 1417 CD1 ILE A 93 0.756 3.357 -2.497 1.00 0.00 C ATOM 0 H ILE A 93 1.909 -0.636 -3.642 1.00 0.00 H new ATOM 0 HA ILE A 93 0.095 -0.583 -1.295 1.00 0.00 H new ATOM 0 HB ILE A 93 0.127 1.125 -3.821 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.645 1.896 -0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.925 1.589 -2.062 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.687 2.398 -2.689 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.169 0.708 -2.969 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -1.664 1.232 -1.345 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.419 4.018 -1.939 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.025 3.380 -3.553 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.274 3.692 -2.378 1.00 0.00 H new ATOM 1429 N LYS A 94 -1.616 -1.976 -2.372 1.00 0.00 N ATOM 1430 CA LYS A 94 -2.679 -2.765 -2.963 1.00 0.00 C ATOM 1431 C LYS A 94 -4.022 -2.127 -2.692 1.00 0.00 C ATOM 1432 O LYS A 94 -4.252 -1.582 -1.613 1.00 0.00 O ATOM 1433 CB LYS A 94 -2.680 -4.208 -2.456 1.00 0.00 C ATOM 1434 CG LYS A 94 -3.924 -4.895 -3.028 1.00 0.00 C ATOM 1435 CD LYS A 94 -3.980 -6.360 -2.645 1.00 0.00 C ATOM 1436 CE LYS A 94 -5.304 -6.918 -3.164 1.00 0.00 C ATOM 1437 NZ LYS A 94 -6.413 -6.270 -2.401 1.00 0.00 N ATOM 0 H LYS A 94 -1.646 -1.930 -1.353 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.496 -2.792 -4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.775 -4.727 -2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.696 -4.232 -1.366 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.819 -4.389 -2.665 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.924 -4.802 -4.114 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.139 -6.902 -3.078 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.912 -6.477 -1.563 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.409 -6.719 -4.230 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.337 -8.000 -3.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.205 -6.937 -2.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.073 -6.000 -1.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.734 -5.421 -2.909 1.00 0.00 H new ATOM 1451 N ARG A 95 -4.928 -2.240 -3.648 1.00 0.00 N ATOM 1452 CA ARG A 95 -6.264 -1.709 -3.465 1.00 0.00 C ATOM 1453 C ARG A 95 -7.095 -2.667 -2.621 1.00 0.00 C ATOM 1454 O ARG A 95 -7.093 -3.896 -2.856 1.00 0.00 O ATOM 1455 CB ARG A 95 -6.965 -1.497 -4.799 1.00 0.00 C ATOM 1456 CG ARG A 95 -8.288 -0.752 -4.556 1.00 0.00 C ATOM 1457 CD ARG A 95 -9.057 -0.632 -5.864 1.00 0.00 C ATOM 1458 NE ARG A 95 -10.187 0.300 -5.728 1.00 0.00 N ATOM 1459 CZ ARG A 95 -11.415 -0.090 -5.402 1.00 0.00 C ATOM 1460 NH1 ARG A 95 -11.661 -1.343 -5.144 1.00 0.00 N ATOM 1461 NH2 ARG A 95 -12.367 0.792 -5.352 1.00 0.00 N ATOM 0 H ARG A 95 -4.764 -2.690 -4.549 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.169 -0.747 -2.961 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.328 -0.923 -5.472 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.156 -2.456 -5.281 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.887 -1.286 -3.818 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.089 0.239 -4.148 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.389 -0.286 -6.652 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.424 -1.613 -6.165 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.020 1.293 -5.892 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.909 -2.031 -5.192 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.605 -1.636 -4.894 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.168 1.770 -5.562 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.314 0.507 -5.103 1.00 0.00 H new ATOM 1475 N LEU A 96 -7.875 -2.100 -1.728 1.00 0.00 N ATOM 1476 CA LEU A 96 -8.801 -2.849 -0.913 1.00 0.00 C ATOM 1477 C LEU A 96 -10.226 -2.471 -1.317 1.00 0.00 C ATOM 1478 O LEU A 96 -10.529 -1.299 -1.481 1.00 0.00 O ATOM 1479 CB LEU A 96 -8.539 -2.531 0.561 1.00 0.00 C ATOM 1480 CG LEU A 96 -9.451 -3.359 1.459 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -9.173 -4.855 1.259 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -9.187 -2.985 2.921 1.00 0.00 C ATOM 0 H LEU A 96 -7.883 -1.096 -1.547 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.670 -3.921 -1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.496 -2.737 0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.705 -1.469 0.745 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.490 -3.154 1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.830 -5.437 1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.357 -5.123 0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.134 -5.069 1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.836 -3.573 3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.145 -3.191 3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.392 -1.925 3.068 1.00 0.00 H new ATOM 1494 N GLY A 97 -11.056 -3.458 -1.586 1.00 0.00 N ATOM 1495 CA GLY A 97 -12.395 -3.205 -2.122 1.00 0.00 C ATOM 1496 C GLY A 97 -13.379 -2.820 -1.040 1.00 0.00 C ATOM 1497 O GLY A 97 -13.344 -3.419 0.006 1.00 0.00 O ATOM 1498 OXT GLY A 97 -14.156 -1.923 -1.265 1.00 0.00 O ATOM 0 H GLY A 97 -10.836 -4.444 -1.446 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.343 -2.408 -2.864 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.753 -4.097 -2.636 1.00 0.00 H new TER 1502 GLY A 97