USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 981 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 47 LYS NZ :NH3+ 156:sc= 1.14 (180deg=0) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0.963 USER MOD Set 2.1: A 52 SER OG : rot -107:sc= 2.16 USER MOD Set 2.2: A 57 THR OG1 : rot 73:sc= 0.967 USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.0139) USER MOD Single : A 1 MET N :NH3+ 169:sc= 1.01 (180deg=0.93) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 83:sc= 1.27 USER MOD Single : A 12 HIS : no HE2:sc= 1.06 K(o=1.1,f=-3.2!) USER MOD Single : A 16 THR OG1 : rot -42:sc= 1.22 USER MOD Single : A 25 LYS NZ :NH3+ 155:sc= 1.23 (180deg=0.613) USER MOD Single : A 30 MET CE :methyl 141:sc= -0.376 (180deg=-0.973) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 87:sc= 1.31 USER MOD Single : A 45 MET CE :methyl -176:sc= -0.558 (180deg=-0.582) USER MOD Single : A 49 LYS NZ :NH3+ 159:sc= 1.32 (180deg=0.98) USER MOD Single : A 50 LYS NZ :NH3+ 162:sc= 0.537 (180deg=0.476) USER MOD Single : A 51 LYS NZ :NH3+ 146:sc= 1.11 (180deg=0.365) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0695 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -137:sc= 0.641 (180deg=0.0201) USER MOD Single : A 68 MET CE :methyl -164:sc= 0 (180deg=-0.0139) USER MOD Single : A 74 CYS SG : rot 80:sc= 0.471 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -168:sc= 0 (180deg=-0.012) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 150:sc= -0.126 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 151:sc= 1.14 (180deg=0.472) USER MOD Single : A 98 SER OG : rot 107:sc= 1.93 USER MOD Single : A 109 THR OG1 : rot 160:sc= 0.647 USER MOD Single : A 110 GLN : amide:sc= 0.266 X(o=0.27,f=-0.14) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 159:sc= 0.244 USER MOD Single : A 125 LYS NZ :NH3+ -172:sc= 1.24 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.156 0.203 -5.517 1.00 0.00 N ATOM 2 CA MET A 1 5.703 0.444 -4.125 1.00 0.00 C ATOM 3 C MET A 1 6.834 1.093 -3.317 1.00 0.00 C ATOM 4 O MET A 1 7.988 0.672 -3.425 1.00 0.00 O ATOM 5 CB MET A 1 5.220 -0.869 -3.466 1.00 0.00 C ATOM 6 CG MET A 1 4.594 -0.656 -2.077 1.00 0.00 C ATOM 7 SD MET A 1 4.013 -2.165 -1.245 1.00 0.00 S ATOM 8 CE MET A 1 2.558 -2.578 -2.250 1.00 0.00 C ATOM 0 H1 MET A 1 5.465 -0.399 -6.008 1.00 0.00 H new ATOM 0 H2 MET A 1 6.240 1.111 -6.017 1.00 0.00 H new ATOM 0 H3 MET A 1 7.081 -0.272 -5.504 1.00 0.00 H new ATOM 0 HA MET A 1 4.854 1.128 -4.142 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.489 -1.347 -4.117 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.063 -1.554 -3.376 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.329 -0.168 -1.437 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.753 0.030 -2.177 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.052 -3.442 -1.820 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.875 -1.729 -2.267 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.873 -2.811 -3.267 1.00 0.00 H new ATOM 20 N ALA A 2 6.519 2.103 -2.494 1.00 0.00 N ATOM 21 CA ALA A 2 7.448 2.710 -1.543 1.00 0.00 C ATOM 22 C ALA A 2 6.643 3.257 -0.365 1.00 0.00 C ATOM 23 O ALA A 2 5.544 3.777 -0.564 1.00 0.00 O ATOM 24 CB ALA A 2 8.217 3.857 -2.218 1.00 0.00 C ATOM 0 H ALA A 2 5.591 2.526 -2.474 1.00 0.00 H new ATOM 0 HA ALA A 2 8.165 1.965 -1.198 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.907 4.303 -1.502 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.778 3.468 -3.068 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.513 4.614 -2.563 1.00 0.00 H new ATOM 30 N SER A 3 7.212 3.228 0.841 1.00 0.00 N ATOM 31 CA SER A 3 6.591 3.717 2.078 1.00 0.00 C ATOM 32 C SER A 3 6.585 5.257 2.182 1.00 0.00 C ATOM 33 O SER A 3 6.448 5.820 3.269 1.00 0.00 O ATOM 34 CB SER A 3 7.315 3.076 3.274 1.00 0.00 C ATOM 35 OG SER A 3 7.468 1.674 3.090 1.00 0.00 O ATOM 0 H SER A 3 8.148 2.852 0.991 1.00 0.00 H new ATOM 0 HA SER A 3 5.541 3.425 2.075 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.294 3.538 3.400 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.752 3.266 4.188 1.00 0.00 H new ATOM 0 HG SER A 3 7.933 1.291 3.863 1.00 0.00 H new ATOM 41 N VAL A 4 6.778 5.941 1.054 1.00 0.00 N ATOM 42 CA VAL A 4 6.864 7.394 0.933 1.00 0.00 C ATOM 43 C VAL A 4 5.501 8.068 1.194 1.00 0.00 C ATOM 44 O VAL A 4 5.450 9.250 1.537 1.00 0.00 O ATOM 45 CB VAL A 4 7.437 7.699 -0.471 1.00 0.00 C ATOM 46 CG1 VAL A 4 6.425 7.389 -1.581 1.00 0.00 C ATOM 47 CG2 VAL A 4 7.962 9.132 -0.599 1.00 0.00 C ATOM 0 H VAL A 4 6.884 5.471 0.155 1.00 0.00 H new ATOM 0 HA VAL A 4 7.526 7.812 1.692 1.00 0.00 H new ATOM 0 HB VAL A 4 8.291 7.033 -0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.867 7.617 -2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.156 6.333 -1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.531 7.996 -1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.352 9.288 -1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.150 9.835 -0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.758 9.294 0.128 1.00 0.00 H new ATOM 57 N GLU A 5 4.399 7.327 1.019 1.00 0.00 N ATOM 58 CA GLU A 5 3.031 7.802 1.209 1.00 0.00 C ATOM 59 C GLU A 5 2.818 8.364 2.625 1.00 0.00 C ATOM 60 O GLU A 5 3.423 7.888 3.591 1.00 0.00 O ATOM 61 CB GLU A 5 2.044 6.660 0.885 1.00 0.00 C ATOM 62 CG GLU A 5 2.217 5.410 1.773 1.00 0.00 C ATOM 63 CD GLU A 5 1.345 4.224 1.322 1.00 0.00 C ATOM 64 OE1 GLU A 5 1.528 3.724 0.190 1.00 0.00 O ATOM 65 OE2 GLU A 5 0.520 3.739 2.129 1.00 0.00 O ATOM 0 H GLU A 5 4.441 6.349 0.732 1.00 0.00 H new ATOM 0 HA GLU A 5 2.843 8.628 0.523 1.00 0.00 H new ATOM 0 HB2 GLU A 5 1.025 7.032 0.994 1.00 0.00 H new ATOM 0 HB3 GLU A 5 2.168 6.372 -0.159 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.264 5.107 1.764 1.00 0.00 H new ATOM 0 HG3 GLU A 5 1.968 5.666 2.803 1.00 0.00 H new ATOM 72 N ARG A 6 1.922 9.356 2.759 1.00 0.00 N ATOM 73 CA ARG A 6 1.529 9.879 4.073 1.00 0.00 C ATOM 74 C ARG A 6 0.895 8.763 4.905 1.00 0.00 C ATOM 75 O ARG A 6 1.186 8.626 6.093 1.00 0.00 O ATOM 76 CB ARG A 6 0.524 11.047 3.958 1.00 0.00 C ATOM 77 CG ARG A 6 0.990 12.228 3.091 1.00 0.00 C ATOM 78 CD ARG A 6 0.049 13.439 3.214 1.00 0.00 C ATOM 79 NE ARG A 6 0.245 14.154 4.489 1.00 0.00 N ATOM 80 CZ ARG A 6 0.203 15.480 4.689 1.00 0.00 C ATOM 81 NH1 ARG A 6 -0.111 16.334 3.717 1.00 0.00 N ATOM 82 NH2 ARG A 6 0.488 15.958 5.897 1.00 0.00 N ATOM 0 H ARG A 6 1.458 9.810 1.972 1.00 0.00 H new ATOM 0 HA ARG A 6 2.432 10.253 4.555 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -0.410 10.663 3.548 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.305 11.417 4.960 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.997 12.520 3.387 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.043 11.914 2.049 1.00 0.00 H new ATOM 0 HD2 ARG A 6 0.224 14.122 2.383 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.986 13.105 3.139 1.00 0.00 H new ATOM 0 HE ARG A 6 0.433 13.577 5.309 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.330 15.986 2.783 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.133 17.336 3.906 1.00 0.00 H new ATOM 0 HH21 ARG A 6 0.734 15.319 6.653 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.461 16.963 6.067 1.00 0.00 H new ATOM 96 N ASP A 7 0.011 7.994 4.268 1.00 0.00 N ATOM 97 CA ASP A 7 -0.866 6.983 4.844 1.00 0.00 C ATOM 98 C ASP A 7 -1.549 6.283 3.660 1.00 0.00 C ATOM 99 O ASP A 7 -1.547 6.832 2.550 1.00 0.00 O ATOM 100 CB ASP A 7 -1.910 7.680 5.735 1.00 0.00 C ATOM 101 CG ASP A 7 -2.962 6.708 6.274 1.00 0.00 C ATOM 102 OD1 ASP A 7 -2.649 5.923 7.197 1.00 0.00 O ATOM 103 OD2 ASP A 7 -4.096 6.731 5.750 1.00 0.00 O ATOM 0 H ASP A 7 -0.117 8.070 3.259 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.323 6.263 5.456 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.405 8.164 6.571 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -2.404 8.466 5.164 1.00 0.00 H new ATOM 108 N GLU A 8 -2.185 5.126 3.874 1.00 0.00 N ATOM 109 CA GLU A 8 -2.988 4.430 2.860 1.00 0.00 C ATOM 110 C GLU A 8 -4.093 5.313 2.262 1.00 0.00 C ATOM 111 O GLU A 8 -4.588 5.014 1.175 1.00 0.00 O ATOM 112 CB GLU A 8 -3.532 3.101 3.415 1.00 0.00 C ATOM 113 CG GLU A 8 -4.534 3.263 4.569 1.00 0.00 C ATOM 114 CD GLU A 8 -4.959 1.900 5.142 1.00 0.00 C ATOM 115 OE1 GLU A 8 -4.249 1.350 6.015 1.00 0.00 O ATOM 116 OE2 GLU A 8 -6.019 1.369 4.742 1.00 0.00 O ATOM 0 H GLU A 8 -2.157 4.639 4.770 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.325 4.196 2.027 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.013 2.552 2.606 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.695 2.494 3.758 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.087 3.867 5.358 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.414 3.801 4.216 1.00 0.00 H new ATOM 123 N THR A 9 -4.457 6.412 2.929 1.00 0.00 N ATOM 124 CA THR A 9 -5.312 7.468 2.402 1.00 0.00 C ATOM 125 C THR A 9 -4.862 7.885 0.992 1.00 0.00 C ATOM 126 O THR A 9 -5.711 8.127 0.136 1.00 0.00 O ATOM 127 CB THR A 9 -5.263 8.642 3.399 1.00 0.00 C ATOM 128 OG1 THR A 9 -5.857 8.259 4.622 1.00 0.00 O ATOM 129 CG2 THR A 9 -5.935 9.936 2.919 1.00 0.00 C ATOM 0 H THR A 9 -4.151 6.593 3.885 1.00 0.00 H new ATOM 0 HA THR A 9 -6.340 7.120 2.299 1.00 0.00 H new ATOM 0 HB THR A 9 -4.203 8.868 3.511 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.201 7.778 5.168 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.846 10.700 3.691 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.448 10.283 2.008 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.989 9.745 2.717 1.00 0.00 H new ATOM 137 N ARG A 10 -3.551 7.941 0.713 1.00 0.00 N ATOM 138 CA ARG A 10 -3.054 8.310 -0.614 1.00 0.00 C ATOM 139 C ARG A 10 -3.476 7.274 -1.649 1.00 0.00 C ATOM 140 O ARG A 10 -4.028 7.638 -2.682 1.00 0.00 O ATOM 141 CB ARG A 10 -1.521 8.443 -0.598 1.00 0.00 C ATOM 142 CG ARG A 10 -0.987 9.614 0.238 1.00 0.00 C ATOM 143 CD ARG A 10 -1.398 10.982 -0.330 1.00 0.00 C ATOM 144 NE ARG A 10 -2.340 11.703 0.547 1.00 0.00 N ATOM 145 CZ ARG A 10 -2.352 13.027 0.758 1.00 0.00 C ATOM 146 NH1 ARG A 10 -1.478 13.822 0.150 1.00 0.00 N ATOM 147 NH2 ARG A 10 -3.225 13.556 1.605 1.00 0.00 N ATOM 0 H ARG A 10 -2.818 7.735 1.392 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.487 9.273 -0.885 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.094 7.516 -0.215 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.169 8.556 -1.623 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.355 9.524 1.260 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.100 9.556 0.285 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.507 11.592 -0.478 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.855 10.842 -1.310 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.042 11.147 1.035 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.786 13.427 -0.487 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.499 14.828 0.320 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.887 12.956 2.096 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.234 14.563 1.765 1.00 0.00 H new ATOM 161 N GLU A 11 -3.240 5.991 -1.371 1.00 0.00 N ATOM 162 CA GLU A 11 -3.595 4.896 -2.272 1.00 0.00 C ATOM 163 C GLU A 11 -5.104 4.920 -2.540 1.00 0.00 C ATOM 164 O GLU A 11 -5.531 4.776 -3.687 1.00 0.00 O ATOM 165 CB GLU A 11 -3.185 3.542 -1.661 1.00 0.00 C ATOM 166 CG GLU A 11 -1.686 3.392 -1.356 1.00 0.00 C ATOM 167 CD GLU A 11 -0.825 3.314 -2.627 1.00 0.00 C ATOM 168 OE1 GLU A 11 -0.701 2.212 -3.212 1.00 0.00 O ATOM 169 OE2 GLU A 11 -0.274 4.353 -3.050 1.00 0.00 O ATOM 0 H GLU A 11 -2.794 5.681 -0.508 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.061 5.024 -3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.745 3.393 -0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.482 2.747 -2.345 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.357 4.237 -0.751 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.529 2.493 -0.760 1.00 0.00 H new ATOM 176 N HIS A 12 -5.907 5.152 -1.495 1.00 0.00 N ATOM 177 CA HIS A 12 -7.357 5.233 -1.623 1.00 0.00 C ATOM 178 C HIS A 12 -7.767 6.432 -2.478 1.00 0.00 C ATOM 179 O HIS A 12 -8.571 6.262 -3.393 1.00 0.00 O ATOM 180 CB HIS A 12 -8.029 5.285 -0.244 1.00 0.00 C ATOM 181 CG HIS A 12 -7.993 3.959 0.478 1.00 0.00 C ATOM 182 ND1 HIS A 12 -6.912 3.408 1.125 1.00 0.00 N ATOM 183 CD2 HIS A 12 -9.022 3.060 0.578 1.00 0.00 C ATOM 184 CE1 HIS A 12 -7.276 2.207 1.603 1.00 0.00 C ATOM 185 NE2 HIS A 12 -8.562 1.947 1.296 1.00 0.00 N ATOM 0 H HIS A 12 -5.567 5.288 -0.543 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.699 4.330 -2.129 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -7.534 6.039 0.368 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.066 5.600 -0.362 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -5.992 3.837 1.225 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -10.015 3.187 0.174 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.629 1.543 2.156 1.00 0.00 H new ATOM 193 N ARG A 13 -7.225 7.630 -2.233 1.00 0.00 N ATOM 194 CA ARG A 13 -7.558 8.822 -3.020 1.00 0.00 C ATOM 195 C ARG A 13 -7.183 8.619 -4.482 1.00 0.00 C ATOM 196 O ARG A 13 -7.963 8.984 -5.358 1.00 0.00 O ATOM 197 CB ARG A 13 -6.847 10.063 -2.451 1.00 0.00 C ATOM 198 CG ARG A 13 -7.497 10.606 -1.168 1.00 0.00 C ATOM 199 CD ARG A 13 -8.789 11.381 -1.460 1.00 0.00 C ATOM 200 NE ARG A 13 -9.415 11.870 -0.220 1.00 0.00 N ATOM 201 CZ ARG A 13 -10.425 12.748 -0.148 1.00 0.00 C ATOM 202 NH1 ARG A 13 -10.953 13.278 -1.248 1.00 0.00 N ATOM 203 NH2 ARG A 13 -10.907 13.095 1.041 1.00 0.00 N ATOM 0 H ARG A 13 -6.548 7.800 -1.489 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.634 8.983 -2.958 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.806 9.813 -2.244 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.842 10.848 -3.207 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.716 9.778 -0.494 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.792 11.258 -0.653 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.569 12.224 -2.115 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.489 10.737 -1.993 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.048 11.509 0.661 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.589 13.018 -2.165 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.721 13.945 -1.175 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.508 12.694 1.890 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.676 13.763 1.105 1.00 0.00 H new ATOM 217 N ILE A 14 -6.027 8.017 -4.758 1.00 0.00 N ATOM 218 CA ILE A 14 -5.617 7.694 -6.116 1.00 0.00 C ATOM 219 C ILE A 14 -6.715 6.831 -6.746 1.00 0.00 C ATOM 220 O ILE A 14 -7.338 7.244 -7.725 1.00 0.00 O ATOM 221 CB ILE A 14 -4.208 7.050 -6.085 1.00 0.00 C ATOM 222 CG1 ILE A 14 -3.159 8.143 -5.787 1.00 0.00 C ATOM 223 CG2 ILE A 14 -3.836 6.326 -7.390 1.00 0.00 C ATOM 224 CD1 ILE A 14 -1.814 7.585 -5.317 1.00 0.00 C ATOM 0 H ILE A 14 -5.352 7.741 -4.045 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.513 8.576 -6.748 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.222 6.293 -5.301 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.002 8.740 -6.686 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.552 8.814 -5.023 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.837 5.899 -7.297 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.555 5.529 -7.582 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.852 7.036 -8.217 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.125 8.408 -5.126 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.958 7.012 -4.401 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.399 6.937 -6.089 1.00 0.00 H new ATOM 236 N GLU A 15 -6.996 5.671 -6.155 1.00 0.00 N ATOM 237 CA GLU A 15 -7.862 4.667 -6.755 1.00 0.00 C ATOM 238 C GLU A 15 -9.323 5.130 -6.870 1.00 0.00 C ATOM 239 O GLU A 15 -9.987 4.781 -7.845 1.00 0.00 O ATOM 240 CB GLU A 15 -7.741 3.390 -5.905 1.00 0.00 C ATOM 241 CG GLU A 15 -8.695 2.275 -6.347 1.00 0.00 C ATOM 242 CD GLU A 15 -8.406 0.953 -5.612 1.00 0.00 C ATOM 243 OE1 GLU A 15 -8.969 0.719 -4.519 1.00 0.00 O ATOM 244 OE2 GLU A 15 -7.629 0.120 -6.133 1.00 0.00 O ATOM 0 H GLU A 15 -6.626 5.403 -5.243 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.543 4.481 -7.781 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.716 3.023 -5.957 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.939 3.636 -4.862 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.724 2.580 -6.156 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.602 2.121 -7.422 1.00 0.00 H new ATOM 251 N THR A 16 -9.824 5.912 -5.909 1.00 0.00 N ATOM 252 CA THR A 16 -11.251 6.232 -5.792 1.00 0.00 C ATOM 253 C THR A 16 -11.590 7.681 -6.184 1.00 0.00 C ATOM 254 O THR A 16 -12.760 8.064 -6.130 1.00 0.00 O ATOM 255 CB THR A 16 -11.777 5.850 -4.392 1.00 0.00 C ATOM 256 OG1 THR A 16 -11.186 6.617 -3.362 1.00 0.00 O ATOM 257 CG2 THR A 16 -11.566 4.364 -4.071 1.00 0.00 C ATOM 0 H THR A 16 -9.248 6.344 -5.186 1.00 0.00 H new ATOM 0 HA THR A 16 -11.778 5.622 -6.526 1.00 0.00 H new ATOM 0 HB THR A 16 -12.845 6.062 -4.429 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.225 6.707 -3.531 1.00 0.00 H new ATOM 0 HG21 THR A 16 -11.953 4.148 -3.075 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.093 3.755 -4.805 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.501 4.132 -4.104 1.00 0.00 H new ATOM 265 N GLU A 17 -10.606 8.477 -6.624 1.00 0.00 N ATOM 266 CA GLU A 17 -10.844 9.858 -7.045 1.00 0.00 C ATOM 267 C GLU A 17 -9.961 10.273 -8.224 1.00 0.00 C ATOM 268 O GLU A 17 -10.486 10.825 -9.191 1.00 0.00 O ATOM 269 CB GLU A 17 -10.686 10.796 -5.833 1.00 0.00 C ATOM 270 CG GLU A 17 -11.078 12.247 -6.142 1.00 0.00 C ATOM 271 CD GLU A 17 -11.178 13.113 -4.871 1.00 0.00 C ATOM 272 OE1 GLU A 17 -10.388 12.924 -3.919 1.00 0.00 O ATOM 273 OE2 GLU A 17 -12.063 13.998 -4.816 1.00 0.00 O ATOM 0 H GLU A 17 -9.632 8.182 -6.697 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.867 9.935 -7.414 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.301 10.426 -5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.651 10.770 -5.493 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.343 12.683 -6.818 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.036 12.259 -6.662 1.00 0.00 H new ATOM 280 N ILE A 18 -8.652 9.997 -8.195 1.00 0.00 N ATOM 281 CA ILE A 18 -7.746 10.510 -9.230 1.00 0.00 C ATOM 282 C ILE A 18 -7.870 9.666 -10.507 1.00 0.00 C ATOM 283 O ILE A 18 -8.004 10.226 -11.594 1.00 0.00 O ATOM 284 CB ILE A 18 -6.291 10.604 -8.713 1.00 0.00 C ATOM 285 CG1 ILE A 18 -6.244 11.401 -7.384 1.00 0.00 C ATOM 286 CG2 ILE A 18 -5.386 11.266 -9.767 1.00 0.00 C ATOM 287 CD1 ILE A 18 -4.843 11.673 -6.827 1.00 0.00 C ATOM 0 H ILE A 18 -8.201 9.430 -7.477 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.041 11.529 -9.482 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.923 9.595 -8.528 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.747 12.356 -7.535 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.815 10.855 -6.633 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.366 11.324 -9.386 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.399 10.673 -10.682 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.751 12.271 -9.981 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.924 12.236 -5.897 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.338 10.726 -6.635 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.269 12.251 -7.552 1.00 0.00 H new ATOM 299 N ILE A 19 -7.872 8.333 -10.392 1.00 0.00 N ATOM 300 CA ILE A 19 -7.880 7.412 -11.533 1.00 0.00 C ATOM 301 C ILE A 19 -9.085 6.458 -11.495 1.00 0.00 C ATOM 302 O ILE A 19 -9.124 5.486 -12.245 1.00 0.00 O ATOM 303 CB ILE A 19 -6.521 6.706 -11.669 1.00 0.00 C ATOM 304 CG1 ILE A 19 -6.160 5.978 -10.367 1.00 0.00 C ATOM 305 CG2 ILE A 19 -5.426 7.708 -12.084 1.00 0.00 C ATOM 306 CD1 ILE A 19 -5.006 5.019 -10.567 1.00 0.00 C ATOM 0 H ILE A 19 -7.868 7.857 -9.490 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.015 7.990 -12.447 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.594 5.956 -12.457 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.898 6.708 -9.601 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.029 5.431 -10.002 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.472 7.188 -12.175 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.687 8.156 -13.043 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.343 8.489 -11.329 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.778 4.522 -9.624 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.278 4.273 -11.314 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.129 5.570 -10.907 1.00 0.00 H new ATOM 318 N VAL A 20 -10.092 6.736 -10.661 1.00 0.00 N ATOM 319 CA VAL A 20 -11.326 5.949 -10.588 1.00 0.00 C ATOM 320 C VAL A 20 -12.019 5.827 -11.957 1.00 0.00 C ATOM 321 O VAL A 20 -12.591 4.782 -12.271 1.00 0.00 O ATOM 322 CB VAL A 20 -12.231 6.548 -9.491 1.00 0.00 C ATOM 323 CG1 VAL A 20 -12.802 7.935 -9.828 1.00 0.00 C ATOM 324 CG2 VAL A 20 -13.366 5.599 -9.085 1.00 0.00 C ATOM 0 H VAL A 20 -10.073 7.522 -10.011 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.090 4.922 -10.311 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.561 6.681 -8.642 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -13.426 8.282 -9.004 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.983 8.638 -9.984 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -13.402 7.871 -10.736 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.973 6.068 -8.311 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -13.988 5.384 -9.953 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.944 4.670 -8.702 1.00 0.00 H new ATOM 334 N ASP A 21 -11.947 6.876 -12.785 1.00 0.00 N ATOM 335 CA ASP A 21 -12.568 6.915 -14.111 1.00 0.00 C ATOM 336 C ASP A 21 -11.715 6.204 -15.174 1.00 0.00 C ATOM 337 O ASP A 21 -12.193 5.936 -16.278 1.00 0.00 O ATOM 338 CB ASP A 21 -12.788 8.382 -14.506 1.00 0.00 C ATOM 339 CG ASP A 21 -13.522 8.525 -15.851 1.00 0.00 C ATOM 340 OD1 ASP A 21 -14.707 8.130 -15.945 1.00 0.00 O ATOM 341 OD2 ASP A 21 -12.941 9.091 -16.805 1.00 0.00 O ATOM 0 H ASP A 21 -11.448 7.733 -12.548 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.519 6.384 -14.061 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.363 8.883 -13.727 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.824 8.888 -14.566 1.00 0.00 H new ATOM 346 N ALA A 22 -10.448 5.907 -14.860 1.00 0.00 N ATOM 347 CA ALA A 22 -9.495 5.330 -15.796 1.00 0.00 C ATOM 348 C ALA A 22 -9.710 3.819 -15.971 1.00 0.00 C ATOM 349 O ALA A 22 -10.512 3.197 -15.269 1.00 0.00 O ATOM 350 CB ALA A 22 -8.069 5.624 -15.315 1.00 0.00 C ATOM 0 H ALA A 22 -10.057 6.066 -13.931 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.651 5.788 -16.773 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.353 5.193 -16.015 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.919 6.702 -15.260 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.920 5.186 -14.328 1.00 0.00 H new ATOM 356 N GLU A 23 -8.942 3.224 -16.888 1.00 0.00 N ATOM 357 CA GLU A 23 -8.922 1.785 -17.134 1.00 0.00 C ATOM 358 C GLU A 23 -7.524 1.371 -17.601 1.00 0.00 C ATOM 359 O GLU A 23 -6.937 0.449 -17.032 1.00 0.00 O ATOM 360 CB GLU A 23 -10.000 1.432 -18.176 1.00 0.00 C ATOM 361 CG GLU A 23 -10.101 -0.080 -18.423 1.00 0.00 C ATOM 362 CD GLU A 23 -11.254 -0.419 -19.385 1.00 0.00 C ATOM 363 OE1 GLU A 23 -11.047 -0.417 -20.620 1.00 0.00 O ATOM 364 OE2 GLU A 23 -12.378 -0.712 -18.917 1.00 0.00 O ATOM 0 H GLU A 23 -8.304 3.743 -17.491 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.147 1.238 -16.219 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.966 1.808 -17.838 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.773 1.937 -19.115 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.161 -0.446 -18.837 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.254 -0.595 -17.475 1.00 0.00 H new ATOM 371 N ASP A 24 -6.942 2.102 -18.559 1.00 0.00 N ATOM 372 CA ASP A 24 -5.644 1.789 -19.164 1.00 0.00 C ATOM 373 C ASP A 24 -4.706 2.985 -19.003 1.00 0.00 C ATOM 374 O ASP A 24 -5.132 4.049 -18.557 1.00 0.00 O ATOM 375 CB ASP A 24 -5.822 1.375 -20.634 1.00 0.00 C ATOM 376 CG ASP A 24 -4.594 0.668 -21.237 1.00 0.00 C ATOM 377 OD1 ASP A 24 -3.683 0.266 -20.476 1.00 0.00 O ATOM 378 OD2 ASP A 24 -4.539 0.519 -22.478 1.00 0.00 O ATOM 0 H ASP A 24 -7.370 2.945 -18.942 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.191 0.940 -18.652 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.685 0.714 -20.713 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.045 2.262 -21.226 1.00 0.00 H new ATOM 383 N LYS A 25 -3.435 2.830 -19.369 1.00 0.00 N ATOM 384 CA LYS A 25 -2.356 3.781 -19.069 1.00 0.00 C ATOM 385 C LYS A 25 -2.678 5.203 -19.479 1.00 0.00 C ATOM 386 O LYS A 25 -2.416 6.138 -18.725 1.00 0.00 O ATOM 387 CB LYS A 25 -1.031 3.384 -19.743 1.00 0.00 C ATOM 388 CG LYS A 25 -0.719 1.892 -19.701 1.00 0.00 C ATOM 389 CD LYS A 25 -0.804 1.287 -18.288 1.00 0.00 C ATOM 390 CE LYS A 25 -0.657 -0.232 -18.322 1.00 0.00 C ATOM 391 NZ LYS A 25 -1.886 -0.939 -18.769 1.00 0.00 N ATOM 0 H LYS A 25 -3.114 2.018 -19.897 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.254 3.741 -17.985 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.057 3.707 -20.784 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.217 3.926 -19.261 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.413 1.365 -20.356 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.282 1.727 -20.099 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.023 1.716 -17.660 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.759 1.551 -17.834 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.165 -0.494 -18.988 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.387 -0.585 -17.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.628 -1.863 -19.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.520 -1.079 -17.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.370 -0.370 -19.492 1.00 0.00 H new ATOM 405 N GLU A 26 -3.235 5.353 -20.678 1.00 0.00 N ATOM 406 CA GLU A 26 -3.483 6.668 -21.236 1.00 0.00 C ATOM 407 C GLU A 26 -4.579 7.352 -20.413 1.00 0.00 C ATOM 408 O GLU A 26 -4.487 8.536 -20.092 1.00 0.00 O ATOM 409 CB GLU A 26 -3.877 6.559 -22.718 1.00 0.00 C ATOM 410 CG GLU A 26 -2.759 5.950 -23.578 1.00 0.00 C ATOM 411 CD GLU A 26 -3.144 5.921 -25.068 1.00 0.00 C ATOM 412 OE1 GLU A 26 -3.758 4.929 -25.525 1.00 0.00 O ATOM 413 OE2 GLU A 26 -2.820 6.878 -25.807 1.00 0.00 O ATOM 0 H GLU A 26 -3.521 4.578 -21.277 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.576 7.270 -21.189 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.775 5.948 -22.808 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.126 7.550 -23.099 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.844 6.528 -23.449 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.547 4.937 -23.236 1.00 0.00 H new ATOM 420 N GLU A 27 -5.591 6.581 -20.005 1.00 0.00 N ATOM 421 CA GLU A 27 -6.680 7.067 -19.174 1.00 0.00 C ATOM 422 C GLU A 27 -6.179 7.356 -17.756 1.00 0.00 C ATOM 423 O GLU A 27 -6.632 8.318 -17.141 1.00 0.00 O ATOM 424 CB GLU A 27 -7.834 6.051 -19.145 1.00 0.00 C ATOM 425 CG GLU A 27 -8.335 5.599 -20.526 1.00 0.00 C ATOM 426 CD GLU A 27 -8.776 6.769 -21.427 1.00 0.00 C ATOM 427 OE1 GLU A 27 -9.680 7.541 -21.035 1.00 0.00 O ATOM 428 OE2 GLU A 27 -8.250 6.906 -22.554 1.00 0.00 O ATOM 0 H GLU A 27 -5.672 5.594 -20.248 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.055 7.996 -19.604 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.511 5.172 -18.587 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.669 6.488 -18.597 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.544 5.042 -21.027 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.173 4.915 -20.395 1.00 0.00 H new ATOM 435 N ARG A 28 -5.234 6.567 -17.224 1.00 0.00 N ATOM 436 CA ARG A 28 -4.674 6.806 -15.888 1.00 0.00 C ATOM 437 C ARG A 28 -3.883 8.113 -15.891 1.00 0.00 C ATOM 438 O ARG A 28 -4.045 8.921 -14.975 1.00 0.00 O ATOM 439 CB ARG A 28 -3.811 5.611 -15.437 1.00 0.00 C ATOM 440 CG ARG A 28 -4.629 4.323 -15.227 1.00 0.00 C ATOM 441 CD ARG A 28 -3.734 3.089 -15.043 1.00 0.00 C ATOM 442 NE ARG A 28 -4.486 1.843 -15.268 1.00 0.00 N ATOM 443 CZ ARG A 28 -4.070 0.602 -14.983 1.00 0.00 C ATOM 444 NH1 ARG A 28 -2.923 0.383 -14.343 1.00 0.00 N ATOM 445 NH2 ARG A 28 -4.821 -0.424 -15.367 1.00 0.00 N ATOM 0 H ARG A 28 -4.841 5.756 -17.701 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.485 6.902 -15.166 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.038 5.426 -16.183 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.302 5.867 -14.508 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.268 4.440 -14.352 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.286 4.169 -16.083 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.894 3.140 -15.736 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.316 3.087 -14.036 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.414 1.934 -15.681 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.340 1.170 -14.058 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.628 -0.571 -14.137 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.694 -0.258 -15.868 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.525 -1.378 -15.161 1.00 0.00 H new ATOM 459 N ALA A 29 -3.088 8.360 -16.935 1.00 0.00 N ATOM 460 CA ALA A 29 -2.395 9.628 -17.110 1.00 0.00 C ATOM 461 C ALA A 29 -3.394 10.786 -17.197 1.00 0.00 C ATOM 462 O ALA A 29 -3.195 11.813 -16.549 1.00 0.00 O ATOM 463 CB ALA A 29 -1.508 9.560 -18.356 1.00 0.00 C ATOM 0 H ALA A 29 -2.910 7.685 -17.679 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.761 9.812 -16.243 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.990 10.510 -18.486 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.776 8.761 -18.239 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.126 9.361 -19.232 1.00 0.00 H new ATOM 469 N MET A 30 -4.487 10.626 -17.950 1.00 0.00 N ATOM 470 CA MET A 30 -5.517 11.657 -18.043 1.00 0.00 C ATOM 471 C MET A 30 -6.241 11.877 -16.713 1.00 0.00 C ATOM 472 O MET A 30 -6.550 13.023 -16.390 1.00 0.00 O ATOM 473 CB MET A 30 -6.498 11.352 -19.180 1.00 0.00 C ATOM 474 CG MET A 30 -5.875 11.568 -20.567 1.00 0.00 C ATOM 475 SD MET A 30 -5.283 13.252 -20.919 1.00 0.00 S ATOM 476 CE MET A 30 -3.513 13.098 -20.531 1.00 0.00 C ATOM 0 H MET A 30 -4.678 9.791 -18.503 1.00 0.00 H new ATOM 0 HA MET A 30 -5.014 12.595 -18.278 1.00 0.00 H new ATOM 0 HB2 MET A 30 -6.839 10.320 -19.095 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.378 11.988 -19.077 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.038 10.879 -20.679 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.614 11.298 -21.322 1.00 0.00 H new ATOM 0 HE1 MET A 30 -2.931 13.665 -21.258 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.324 13.488 -19.531 1.00 0.00 H new ATOM 0 HE3 MET A 30 -3.222 12.048 -20.572 1.00 0.00 H new ATOM 486 N GLY A 31 -6.468 10.830 -15.917 1.00 0.00 N ATOM 487 CA GLY A 31 -7.058 10.953 -14.592 1.00 0.00 C ATOM 488 C GLY A 31 -6.228 11.900 -13.727 1.00 0.00 C ATOM 489 O GLY A 31 -6.755 12.886 -13.205 1.00 0.00 O ATOM 0 H GLY A 31 -6.245 9.870 -16.179 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.079 11.326 -14.674 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.114 9.973 -14.119 1.00 0.00 H new ATOM 493 N TRP A 32 -4.912 11.664 -13.663 1.00 0.00 N ATOM 494 CA TRP A 32 -3.988 12.577 -13.002 1.00 0.00 C ATOM 495 C TRP A 32 -4.056 13.976 -13.607 1.00 0.00 C ATOM 496 O TRP A 32 -4.177 14.944 -12.855 1.00 0.00 O ATOM 497 CB TRP A 32 -2.557 12.035 -13.071 1.00 0.00 C ATOM 498 CG TRP A 32 -2.217 11.069 -11.987 1.00 0.00 C ATOM 499 CD1 TRP A 32 -2.148 9.726 -12.099 1.00 0.00 C ATOM 500 CD2 TRP A 32 -1.883 11.376 -10.602 1.00 0.00 C ATOM 501 NE1 TRP A 32 -1.767 9.182 -10.889 1.00 0.00 N ATOM 502 CE2 TRP A 32 -1.596 10.156 -9.923 1.00 0.00 C ATOM 503 CE3 TRP A 32 -1.790 12.572 -9.858 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -1.225 10.137 -8.569 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -1.406 12.561 -8.503 1.00 0.00 C ATOM 506 CH2 TRP A 32 -1.119 11.345 -7.861 1.00 0.00 C ATOM 0 H TRP A 32 -4.466 10.840 -14.066 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.287 12.651 -11.956 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.411 11.548 -14.035 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -1.861 12.872 -13.028 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.358 9.164 -12.997 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.629 8.184 -10.728 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.018 13.513 -10.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.022 9.198 -8.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.332 13.490 -7.956 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.817 11.339 -6.824 1.00 0.00 H new ATOM 517 N TYR A 33 -3.999 14.088 -14.937 1.00 0.00 N ATOM 518 CA TYR A 33 -3.938 15.377 -15.610 1.00 0.00 C ATOM 519 C TYR A 33 -5.134 16.245 -15.230 1.00 0.00 C ATOM 520 O TYR A 33 -4.946 17.375 -14.777 1.00 0.00 O ATOM 521 CB TYR A 33 -3.857 15.191 -17.132 1.00 0.00 C ATOM 522 CG TYR A 33 -3.981 16.502 -17.880 1.00 0.00 C ATOM 523 CD1 TYR A 33 -2.864 17.344 -18.011 1.00 0.00 C ATOM 524 CD2 TYR A 33 -5.239 16.930 -18.344 1.00 0.00 C ATOM 525 CE1 TYR A 33 -3.002 18.608 -18.605 1.00 0.00 C ATOM 526 CE2 TYR A 33 -5.392 18.210 -18.903 1.00 0.00 C ATOM 527 CZ TYR A 33 -4.268 19.056 -19.045 1.00 0.00 C ATOM 528 OH TYR A 33 -4.395 20.299 -19.591 1.00 0.00 O ATOM 0 H TYR A 33 -3.994 13.288 -15.570 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.033 15.890 -15.283 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.909 14.718 -17.388 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.648 14.515 -17.456 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.898 17.018 -17.654 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.091 16.271 -18.270 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.136 19.242 -18.727 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.367 18.547 -19.224 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.330 20.452 -19.843 1.00 0.00 H new ATOM 538 N TYR A 34 -6.358 15.734 -15.389 1.00 0.00 N ATOM 539 CA TYR A 34 -7.549 16.538 -15.169 1.00 0.00 C ATOM 540 C TYR A 34 -7.767 16.803 -13.680 1.00 0.00 C ATOM 541 O TYR A 34 -8.235 17.885 -13.332 1.00 0.00 O ATOM 542 CB TYR A 34 -8.773 15.880 -15.815 1.00 0.00 C ATOM 543 CG TYR A 34 -8.754 15.908 -17.336 1.00 0.00 C ATOM 544 CD1 TYR A 34 -8.816 17.140 -18.020 1.00 0.00 C ATOM 545 CD2 TYR A 34 -8.673 14.711 -18.072 1.00 0.00 C ATOM 546 CE1 TYR A 34 -8.818 17.176 -19.426 1.00 0.00 C ATOM 547 CE2 TYR A 34 -8.663 14.739 -19.478 1.00 0.00 C ATOM 548 CZ TYR A 34 -8.738 15.972 -20.163 1.00 0.00 C ATOM 549 OH TYR A 34 -8.734 15.988 -21.526 1.00 0.00 O ATOM 0 H TYR A 34 -6.543 14.771 -15.668 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.403 17.506 -15.649 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.836 14.844 -15.481 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.673 16.384 -15.463 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.862 18.062 -17.460 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.618 13.765 -17.554 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.881 18.123 -19.942 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.598 13.816 -20.035 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.673 15.070 -21.864 1.00 0.00 H new ATOM 559 N TYR A 35 -7.400 15.869 -12.794 1.00 0.00 N ATOM 560 CA TYR A 35 -7.478 16.099 -11.358 1.00 0.00 C ATOM 561 C TYR A 35 -6.560 17.261 -10.960 1.00 0.00 C ATOM 562 O TYR A 35 -6.990 18.177 -10.258 1.00 0.00 O ATOM 563 CB TYR A 35 -7.121 14.807 -10.611 1.00 0.00 C ATOM 564 CG TYR A 35 -7.182 14.932 -9.102 1.00 0.00 C ATOM 565 CD1 TYR A 35 -8.428 15.036 -8.454 1.00 0.00 C ATOM 566 CD2 TYR A 35 -5.996 14.955 -8.345 1.00 0.00 C ATOM 567 CE1 TYR A 35 -8.488 15.175 -7.056 1.00 0.00 C ATOM 568 CE2 TYR A 35 -6.045 15.102 -6.949 1.00 0.00 C ATOM 569 CZ TYR A 35 -7.296 15.214 -6.296 1.00 0.00 C ATOM 570 OH TYR A 35 -7.365 15.349 -4.941 1.00 0.00 O ATOM 0 H TYR A 35 -7.047 14.948 -13.053 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.495 16.377 -11.083 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.801 14.016 -10.928 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.116 14.498 -10.900 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.340 15.009 -9.032 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.041 14.859 -8.841 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.445 15.252 -6.562 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.130 15.130 -6.375 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.459 15.358 -4.567 1.00 0.00 H new ATOM 580 N LEU A 36 -5.314 17.269 -11.443 1.00 0.00 N ATOM 581 CA LEU A 36 -4.351 18.323 -11.144 1.00 0.00 C ATOM 582 C LEU A 36 -4.792 19.633 -11.780 1.00 0.00 C ATOM 583 O LEU A 36 -4.755 20.659 -11.107 1.00 0.00 O ATOM 584 CB LEU A 36 -2.948 17.917 -11.628 1.00 0.00 C ATOM 585 CG LEU A 36 -2.075 17.259 -10.539 1.00 0.00 C ATOM 586 CD1 LEU A 36 -2.788 16.178 -9.718 1.00 0.00 C ATOM 587 CD2 LEU A 36 -0.850 16.631 -11.205 1.00 0.00 C ATOM 0 H LEU A 36 -4.947 16.540 -12.055 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.307 18.467 -10.065 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.049 17.226 -12.465 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.435 18.802 -12.005 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.810 18.053 -9.841 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.100 15.771 -8.977 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.649 16.614 -9.212 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.122 15.380 -10.380 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.224 16.162 -10.446 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.173 15.879 -11.925 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.279 17.404 -11.719 1.00 0.00 H new ATOM 599 N ASP A 37 -5.261 19.616 -13.028 1.00 0.00 N ATOM 600 CA ASP A 37 -5.765 20.813 -13.693 1.00 0.00 C ATOM 601 C ASP A 37 -6.947 21.431 -12.941 1.00 0.00 C ATOM 602 O ASP A 37 -7.081 22.655 -12.910 1.00 0.00 O ATOM 603 CB ASP A 37 -6.163 20.481 -15.135 1.00 0.00 C ATOM 604 CG ASP A 37 -6.767 21.700 -15.848 1.00 0.00 C ATOM 605 OD1 ASP A 37 -6.001 22.584 -16.288 1.00 0.00 O ATOM 606 OD2 ASP A 37 -8.007 21.756 -16.014 1.00 0.00 O ATOM 0 H ASP A 37 -5.301 18.774 -13.603 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.964 21.552 -13.700 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.288 20.134 -15.684 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.884 19.664 -15.135 1.00 0.00 H new ATOM 611 N ASP A 38 -7.776 20.609 -12.290 1.00 0.00 N ATOM 612 CA ASP A 38 -8.903 21.082 -11.486 1.00 0.00 C ATOM 613 C ASP A 38 -8.477 21.538 -10.083 1.00 0.00 C ATOM 614 O ASP A 38 -9.181 22.331 -9.455 1.00 0.00 O ATOM 615 CB ASP A 38 -9.954 19.970 -11.371 1.00 0.00 C ATOM 616 CG ASP A 38 -11.186 20.428 -10.572 1.00 0.00 C ATOM 617 OD1 ASP A 38 -11.948 21.289 -11.069 1.00 0.00 O ATOM 618 OD2 ASP A 38 -11.433 19.894 -9.467 1.00 0.00 O ATOM 0 H ASP A 38 -7.682 19.593 -12.307 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.323 21.950 -11.994 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.263 19.658 -12.368 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.511 19.099 -10.888 1.00 0.00 H new ATOM 623 N THR A 39 -7.329 21.069 -9.586 1.00 0.00 N ATOM 624 CA THR A 39 -6.928 21.259 -8.193 1.00 0.00 C ATOM 625 C THR A 39 -5.918 22.397 -8.035 1.00 0.00 C ATOM 626 O THR A 39 -6.049 23.209 -7.118 1.00 0.00 O ATOM 627 CB THR A 39 -6.348 19.938 -7.655 1.00 0.00 C ATOM 628 OG1 THR A 39 -7.330 18.924 -7.699 1.00 0.00 O ATOM 629 CG2 THR A 39 -5.829 20.078 -6.221 1.00 0.00 C ATOM 0 H THR A 39 -6.652 20.546 -10.141 1.00 0.00 H new ATOM 0 HA THR A 39 -7.809 21.541 -7.616 1.00 0.00 H new ATOM 0 HB THR A 39 -5.506 19.672 -8.294 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.316 18.493 -8.579 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.429 19.122 -5.884 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.042 20.831 -6.191 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.646 20.381 -5.566 1.00 0.00 H new ATOM 637 N LEU A 40 -4.894 22.437 -8.890 1.00 0.00 N ATOM 638 CA LEU A 40 -3.755 23.330 -8.729 1.00 0.00 C ATOM 639 C LEU A 40 -4.237 24.759 -8.974 1.00 0.00 C ATOM 640 O LEU A 40 -4.769 25.061 -10.044 1.00 0.00 O ATOM 641 CB LEU A 40 -2.643 22.952 -9.722 1.00 0.00 C ATOM 642 CG LEU A 40 -2.024 21.550 -9.540 1.00 0.00 C ATOM 643 CD1 LEU A 40 -1.220 21.192 -10.794 1.00 0.00 C ATOM 644 CD2 LEU A 40 -1.103 21.423 -8.330 1.00 0.00 C ATOM 0 H LEU A 40 -4.836 21.844 -9.718 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.344 23.246 -7.723 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.046 23.022 -10.732 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.847 23.692 -9.645 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.860 20.870 -9.375 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.779 20.202 -10.673 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.880 21.192 -11.662 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.428 21.927 -10.940 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.711 20.407 -8.276 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.276 22.126 -8.427 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.663 21.644 -7.422 1.00 0.00 H new ATOM 656 N GLU A 41 -4.045 25.652 -8.005 1.00 0.00 N ATOM 657 CA GLU A 41 -4.519 27.033 -8.072 1.00 0.00 C ATOM 658 C GLU A 41 -3.458 27.920 -8.742 1.00 0.00 C ATOM 659 O GLU A 41 -3.026 28.935 -8.192 1.00 0.00 O ATOM 660 CB GLU A 41 -4.961 27.536 -6.684 1.00 0.00 C ATOM 661 CG GLU A 41 -6.159 26.742 -6.138 1.00 0.00 C ATOM 662 CD GLU A 41 -6.902 27.518 -5.036 1.00 0.00 C ATOM 663 OE1 GLU A 41 -6.461 27.513 -3.866 1.00 0.00 O ATOM 664 OE2 GLU A 41 -7.951 28.138 -5.330 1.00 0.00 O ATOM 0 H GLU A 41 -3.550 25.434 -7.140 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.410 27.083 -8.697 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.126 27.458 -5.987 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.225 28.592 -6.748 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.848 26.517 -6.952 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.813 25.788 -5.741 1.00 0.00 H new ATOM 671 N PHE A 42 -2.986 27.502 -9.921 1.00 0.00 N ATOM 672 CA PHE A 42 -2.081 28.299 -10.745 1.00 0.00 C ATOM 673 C PHE A 42 -2.752 29.615 -11.200 1.00 0.00 C ATOM 674 O PHE A 42 -3.985 29.669 -11.281 1.00 0.00 O ATOM 675 CB PHE A 42 -1.558 27.454 -11.919 1.00 0.00 C ATOM 676 CG PHE A 42 -2.596 26.643 -12.672 1.00 0.00 C ATOM 677 CD1 PHE A 42 -3.522 27.276 -13.525 1.00 0.00 C ATOM 678 CD2 PHE A 42 -2.602 25.239 -12.558 1.00 0.00 C ATOM 679 CE1 PHE A 42 -4.468 26.512 -14.230 1.00 0.00 C ATOM 680 CE2 PHE A 42 -3.552 24.477 -13.259 1.00 0.00 C ATOM 681 CZ PHE A 42 -4.489 25.114 -14.091 1.00 0.00 C ATOM 0 H PHE A 42 -3.224 26.598 -10.329 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.218 28.594 -10.148 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.063 28.119 -12.627 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.799 26.771 -11.539 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.505 28.350 -13.637 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.874 24.747 -11.930 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.180 27.000 -14.879 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.562 23.402 -13.159 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.225 24.529 -14.623 1.00 0.00 H new ATOM 691 N PRO A 43 -1.980 30.665 -11.548 1.00 0.00 N ATOM 692 CA PRO A 43 -0.527 30.737 -11.436 1.00 0.00 C ATOM 693 C PRO A 43 -0.077 30.764 -9.968 1.00 0.00 C ATOM 694 O PRO A 43 -0.759 31.335 -9.113 1.00 0.00 O ATOM 695 CB PRO A 43 -0.114 32.009 -12.185 1.00 0.00 C ATOM 696 CG PRO A 43 -1.341 32.909 -12.057 1.00 0.00 C ATOM 697 CD PRO A 43 -2.505 31.918 -12.071 1.00 0.00 C ATOM 0 HA PRO A 43 -0.049 29.857 -11.867 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.769 32.468 -11.741 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.125 31.801 -13.228 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -1.319 33.491 -11.136 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.407 33.619 -12.881 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.331 32.279 -11.458 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.891 31.786 -13.082 1.00 0.00 H new ATOM 705 N PHE A 44 1.067 30.140 -9.676 1.00 0.00 N ATOM 706 CA PHE A 44 1.654 30.077 -8.339 1.00 0.00 C ATOM 707 C PHE A 44 3.178 30.071 -8.465 1.00 0.00 C ATOM 708 O PHE A 44 3.710 29.765 -9.528 1.00 0.00 O ATOM 709 CB PHE A 44 1.125 28.852 -7.563 1.00 0.00 C ATOM 710 CG PHE A 44 1.511 27.470 -8.080 1.00 0.00 C ATOM 711 CD1 PHE A 44 2.791 26.956 -7.809 1.00 0.00 C ATOM 712 CD2 PHE A 44 0.582 26.653 -8.752 1.00 0.00 C ATOM 713 CE1 PHE A 44 3.163 25.674 -8.240 1.00 0.00 C ATOM 714 CE2 PHE A 44 0.950 25.368 -9.193 1.00 0.00 C ATOM 715 CZ PHE A 44 2.242 24.877 -8.939 1.00 0.00 C ATOM 0 H PHE A 44 1.622 29.654 -10.380 1.00 0.00 H new ATOM 0 HA PHE A 44 1.360 30.955 -7.764 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.468 28.933 -6.532 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.037 28.911 -7.542 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.500 27.558 -7.260 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.420 27.015 -8.930 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.155 25.301 -8.035 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.237 24.758 -9.728 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.525 23.892 -9.280 1.00 0.00 H new ATOM 725 N MET A 45 3.906 30.409 -7.403 1.00 0.00 N ATOM 726 CA MET A 45 5.367 30.446 -7.429 1.00 0.00 C ATOM 727 C MET A 45 5.917 29.066 -7.065 1.00 0.00 C ATOM 728 O MET A 45 5.375 28.418 -6.170 1.00 0.00 O ATOM 729 CB MET A 45 5.825 31.501 -6.413 1.00 0.00 C ATOM 730 CG MET A 45 7.339 31.697 -6.422 1.00 0.00 C ATOM 731 SD MET A 45 7.924 32.848 -5.157 1.00 0.00 S ATOM 732 CE MET A 45 9.687 32.704 -5.519 1.00 0.00 C ATOM 0 H MET A 45 3.501 30.664 -6.502 1.00 0.00 H new ATOM 0 HA MET A 45 5.736 30.706 -8.421 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.337 32.450 -6.634 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.506 31.203 -5.414 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.823 30.732 -6.276 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.645 32.061 -7.403 1.00 0.00 H new ATOM 0 HE1 MET A 45 10.256 33.289 -4.796 1.00 0.00 H new ATOM 0 HE2 MET A 45 9.987 31.658 -5.456 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.884 33.078 -6.524 1.00 0.00 H new ATOM 742 N GLY A 46 7.019 28.619 -7.671 1.00 0.00 N ATOM 743 CA GLY A 46 7.688 27.403 -7.252 1.00 0.00 C ATOM 744 C GLY A 46 9.168 27.443 -7.587 1.00 0.00 C ATOM 745 O GLY A 46 9.645 28.314 -8.316 1.00 0.00 O ATOM 0 H GLY A 46 7.463 29.091 -8.459 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.560 27.267 -6.178 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.226 26.545 -7.740 1.00 0.00 H new ATOM 749 N LYS A 47 9.908 26.496 -7.026 1.00 0.00 N ATOM 750 CA LYS A 47 11.288 26.257 -7.416 1.00 0.00 C ATOM 751 C LYS A 47 11.268 25.124 -8.436 1.00 0.00 C ATOM 752 O LYS A 47 10.684 24.069 -8.178 1.00 0.00 O ATOM 753 CB LYS A 47 12.141 25.877 -6.190 1.00 0.00 C ATOM 754 CG LYS A 47 13.648 26.040 -6.461 1.00 0.00 C ATOM 755 CD LYS A 47 14.132 27.500 -6.437 1.00 0.00 C ATOM 756 CE LYS A 47 14.129 28.103 -5.023 1.00 0.00 C ATOM 757 NZ LYS A 47 14.800 29.427 -4.983 1.00 0.00 N ATOM 0 H LYS A 47 9.569 25.875 -6.291 1.00 0.00 H new ATOM 0 HA LYS A 47 11.733 27.155 -7.845 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.856 26.501 -5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.933 24.844 -5.910 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.205 25.471 -5.716 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.881 25.606 -7.433 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.141 27.551 -6.847 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.494 28.101 -7.085 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.101 28.206 -4.675 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.631 27.421 -4.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.444 29.972 -4.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 15.827 29.293 -4.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.600 29.944 -5.863 1.00 0.00 H new ATOM 771 N TRP A 48 11.887 25.340 -9.592 1.00 0.00 N ATOM 772 CA TRP A 48 12.149 24.297 -10.561 1.00 0.00 C ATOM 773 C TRP A 48 13.444 23.645 -10.084 1.00 0.00 C ATOM 774 O TRP A 48 14.531 24.207 -10.236 1.00 0.00 O ATOM 775 CB TRP A 48 12.256 24.894 -11.974 1.00 0.00 C ATOM 776 CG TRP A 48 12.389 23.921 -13.111 1.00 0.00 C ATOM 777 CD1 TRP A 48 12.425 22.574 -13.010 1.00 0.00 C ATOM 778 CD2 TRP A 48 12.480 24.199 -14.544 1.00 0.00 C ATOM 779 NE1 TRP A 48 12.550 22.004 -14.255 1.00 0.00 N ATOM 780 CE2 TRP A 48 12.592 22.960 -15.246 1.00 0.00 C ATOM 781 CE3 TRP A 48 12.465 25.376 -15.325 1.00 0.00 C ATOM 782 CZ2 TRP A 48 12.691 22.896 -16.644 1.00 0.00 C ATOM 783 CZ3 TRP A 48 12.544 25.323 -16.730 1.00 0.00 C ATOM 784 CH2 TRP A 48 12.660 24.086 -17.390 1.00 0.00 C ATOM 0 H TRP A 48 12.223 26.259 -9.880 1.00 0.00 H new ATOM 0 HA TRP A 48 11.350 23.558 -10.629 1.00 0.00 H new ATOM 0 HB2 TRP A 48 11.372 25.506 -12.152 1.00 0.00 H new ATOM 0 HB3 TRP A 48 13.117 25.563 -11.996 1.00 0.00 H new ATOM 0 HD1 TRP A 48 12.364 22.023 -12.083 1.00 0.00 H new ATOM 0 HE1 TRP A 48 12.605 21.000 -14.424 1.00 0.00 H new ATOM 0 HE3 TRP A 48 12.391 26.336 -14.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 12.790 21.942 -17.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 12.515 26.237 -17.304 1.00 0.00 H new ATOM 0 HH2 TRP A 48 12.725 24.051 -18.467 1.00 0.00 H new ATOM 795 N LYS A 49 13.322 22.482 -9.449 1.00 0.00 N ATOM 796 CA LYS A 49 14.417 21.641 -8.986 1.00 0.00 C ATOM 797 C LYS A 49 14.745 20.694 -10.143 1.00 0.00 C ATOM 798 O LYS A 49 14.447 19.499 -10.104 1.00 0.00 O ATOM 799 CB LYS A 49 13.972 20.925 -7.696 1.00 0.00 C ATOM 800 CG LYS A 49 13.978 21.904 -6.507 1.00 0.00 C ATOM 801 CD LYS A 49 13.307 21.366 -5.236 1.00 0.00 C ATOM 802 CE LYS A 49 13.927 20.056 -4.728 1.00 0.00 C ATOM 803 NZ LYS A 49 13.458 19.717 -3.362 1.00 0.00 N ATOM 0 H LYS A 49 12.409 22.082 -9.234 1.00 0.00 H new ATOM 0 HA LYS A 49 15.320 22.194 -8.727 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.972 20.511 -7.829 1.00 0.00 H new ATOM 0 HB3 LYS A 49 14.639 20.088 -7.489 1.00 0.00 H new ATOM 0 HG2 LYS A 49 15.010 22.167 -6.274 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.475 22.823 -6.807 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.374 22.120 -4.451 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.247 21.205 -5.433 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.673 19.245 -5.411 1.00 0.00 H new ATOM 0 HE3 LYS A 49 15.013 20.144 -4.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.594 18.700 -3.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.003 20.261 -2.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.449 19.951 -3.273 1.00 0.00 H new ATOM 817 N LYS A 50 15.244 21.276 -11.233 1.00 0.00 N ATOM 818 CA LYS A 50 15.500 20.567 -12.479 1.00 0.00 C ATOM 819 C LYS A 50 16.571 19.513 -12.218 1.00 0.00 C ATOM 820 O LYS A 50 17.605 19.847 -11.645 1.00 0.00 O ATOM 821 CB LYS A 50 15.952 21.561 -13.560 1.00 0.00 C ATOM 822 CG LYS A 50 15.970 20.869 -14.930 1.00 0.00 C ATOM 823 CD LYS A 50 16.660 21.720 -16.000 1.00 0.00 C ATOM 824 CE LYS A 50 17.003 20.867 -17.233 1.00 0.00 C ATOM 825 NZ LYS A 50 18.133 19.930 -16.985 1.00 0.00 N ATOM 0 H LYS A 50 15.484 22.267 -11.272 1.00 0.00 H new ATOM 0 HA LYS A 50 14.594 20.078 -12.836 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.278 22.417 -13.584 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.945 21.943 -13.323 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.483 19.911 -14.844 1.00 0.00 H new ATOM 0 HG3 LYS A 50 14.947 20.657 -15.241 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.010 22.545 -16.291 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.570 22.160 -15.591 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.123 20.298 -17.533 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.256 21.524 -18.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.131 19.184 -17.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.032 20.451 -17.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.027 19.499 -16.044 1.00 0.00 H new ATOM 839 N LYS A 51 16.392 18.264 -12.649 1.00 0.00 N ATOM 840 CA LYS A 51 17.486 17.290 -12.609 1.00 0.00 C ATOM 841 C LYS A 51 18.652 17.810 -13.459 1.00 0.00 C ATOM 842 O LYS A 51 18.420 18.395 -14.525 1.00 0.00 O ATOM 843 CB LYS A 51 16.977 15.912 -13.058 1.00 0.00 C ATOM 844 CG LYS A 51 17.834 14.774 -12.480 1.00 0.00 C ATOM 845 CD LYS A 51 17.213 13.410 -12.822 1.00 0.00 C ATOM 846 CE LYS A 51 17.940 12.220 -12.176 1.00 0.00 C ATOM 847 NZ LYS A 51 17.862 12.219 -10.691 1.00 0.00 N ATOM 0 H LYS A 51 15.514 17.905 -13.025 1.00 0.00 H new ATOM 0 HA LYS A 51 17.856 17.166 -11.591 1.00 0.00 H new ATOM 0 HB2 LYS A 51 15.942 15.785 -12.741 1.00 0.00 H new ATOM 0 HB3 LYS A 51 16.986 15.858 -14.147 1.00 0.00 H new ATOM 0 HG2 LYS A 51 18.846 14.831 -12.882 1.00 0.00 H new ATOM 0 HG3 LYS A 51 17.914 14.884 -11.398 1.00 0.00 H new ATOM 0 HD2 LYS A 51 16.171 13.405 -12.502 1.00 0.00 H new ATOM 0 HD3 LYS A 51 17.215 13.281 -13.904 1.00 0.00 H new ATOM 0 HE2 LYS A 51 17.512 11.292 -12.556 1.00 0.00 H new ATOM 0 HE3 LYS A 51 18.987 12.236 -12.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 17.819 11.239 -10.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 18.704 12.688 -10.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 17.008 12.730 -10.388 1.00 0.00 H new ATOM 861 N SER A 52 19.888 17.631 -12.992 1.00 0.00 N ATOM 862 CA SER A 52 21.080 18.135 -13.663 1.00 0.00 C ATOM 863 C SER A 52 21.231 17.572 -15.083 1.00 0.00 C ATOM 864 O SER A 52 20.628 16.562 -15.457 1.00 0.00 O ATOM 865 CB SER A 52 22.324 17.864 -12.806 1.00 0.00 C ATOM 866 OG SER A 52 22.196 18.417 -11.511 1.00 0.00 O ATOM 0 H SER A 52 20.089 17.127 -12.128 1.00 0.00 H new ATOM 0 HA SER A 52 20.969 19.213 -13.777 1.00 0.00 H new ATOM 0 HB2 SER A 52 22.486 16.789 -12.728 1.00 0.00 H new ATOM 0 HB3 SER A 52 23.202 18.284 -13.296 1.00 0.00 H new ATOM 0 HG SER A 52 22.775 19.204 -11.433 1.00 0.00 H new ATOM 872 N ARG A 53 22.052 18.262 -15.884 1.00 0.00 N ATOM 873 CA ARG A 53 22.197 18.053 -17.325 1.00 0.00 C ATOM 874 C ARG A 53 22.583 16.616 -17.698 1.00 0.00 C ATOM 875 O ARG A 53 22.154 16.134 -18.748 1.00 0.00 O ATOM 876 CB ARG A 53 23.209 19.093 -17.843 1.00 0.00 C ATOM 877 CG ARG A 53 23.319 19.127 -19.376 1.00 0.00 C ATOM 878 CD ARG A 53 24.269 20.243 -19.829 1.00 0.00 C ATOM 879 NE ARG A 53 24.399 20.281 -21.297 1.00 0.00 N ATOM 880 CZ ARG A 53 25.270 19.582 -22.039 1.00 0.00 C ATOM 881 NH1 ARG A 53 26.139 18.749 -21.470 1.00 0.00 N ATOM 882 NH2 ARG A 53 25.265 19.720 -23.361 1.00 0.00 N ATOM 0 H ARG A 53 22.654 19.007 -15.532 1.00 0.00 H new ATOM 0 HA ARG A 53 21.231 18.195 -17.809 1.00 0.00 H new ATOM 0 HB2 ARG A 53 22.919 20.081 -17.485 1.00 0.00 H new ATOM 0 HB3 ARG A 53 24.190 18.876 -17.420 1.00 0.00 H new ATOM 0 HG2 ARG A 53 23.680 18.165 -19.741 1.00 0.00 H new ATOM 0 HG3 ARG A 53 22.333 19.283 -19.813 1.00 0.00 H new ATOM 0 HD2 ARG A 53 23.900 21.204 -19.471 1.00 0.00 H new ATOM 0 HD3 ARG A 53 25.250 20.091 -19.380 1.00 0.00 H new ATOM 0 HE ARG A 53 23.763 20.901 -21.798 1.00 0.00 H new ATOM 0 HH11 ARG A 53 26.148 18.636 -20.456 1.00 0.00 H new ATOM 0 HH12 ARG A 53 26.795 18.224 -22.048 1.00 0.00 H new ATOM 0 HH21 ARG A 53 24.601 20.355 -23.805 1.00 0.00 H new ATOM 0 HH22 ARG A 53 25.925 19.191 -23.931 1.00 0.00 H new ATOM 896 N LYS A 54 23.360 15.925 -16.857 1.00 0.00 N ATOM 897 CA LYS A 54 23.722 14.518 -17.057 1.00 0.00 C ATOM 898 C LYS A 54 23.814 13.803 -15.712 1.00 0.00 C ATOM 899 O LYS A 54 23.275 12.706 -15.567 1.00 0.00 O ATOM 900 CB LYS A 54 25.046 14.438 -17.843 1.00 0.00 C ATOM 901 CG LYS A 54 25.421 12.995 -18.215 1.00 0.00 C ATOM 902 CD LYS A 54 26.704 12.961 -19.061 1.00 0.00 C ATOM 903 CE LYS A 54 27.159 11.530 -19.387 1.00 0.00 C ATOM 904 NZ LYS A 54 26.235 10.816 -20.305 1.00 0.00 N ATOM 0 H LYS A 54 23.759 16.331 -16.010 1.00 0.00 H new ATOM 0 HA LYS A 54 22.951 14.014 -17.640 1.00 0.00 H new ATOM 0 HB2 LYS A 54 24.962 15.034 -18.752 1.00 0.00 H new ATOM 0 HB3 LYS A 54 25.846 14.876 -17.247 1.00 0.00 H new ATOM 0 HG2 LYS A 54 25.563 12.407 -17.308 1.00 0.00 H new ATOM 0 HG3 LYS A 54 24.603 12.534 -18.769 1.00 0.00 H new ATOM 0 HD2 LYS A 54 26.537 13.506 -19.990 1.00 0.00 H new ATOM 0 HD3 LYS A 54 27.501 13.479 -18.527 1.00 0.00 H new ATOM 0 HE2 LYS A 54 28.152 11.565 -19.836 1.00 0.00 H new ATOM 0 HE3 LYS A 54 27.248 10.964 -18.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 26.597 9.858 -20.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 25.293 10.754 -19.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 26.168 11.336 -21.203 1.00 0.00 H new ATOM 918 N THR A 55 24.470 14.426 -14.732 1.00 0.00 N ATOM 919 CA THR A 55 24.583 13.933 -13.366 1.00 0.00 C ATOM 920 C THR A 55 23.183 13.747 -12.750 1.00 0.00 C ATOM 921 O THR A 55 22.228 14.427 -13.133 1.00 0.00 O ATOM 922 CB THR A 55 25.455 14.936 -12.577 1.00 0.00 C ATOM 923 OG1 THR A 55 26.519 15.411 -13.393 1.00 0.00 O ATOM 924 CG2 THR A 55 26.061 14.323 -11.309 1.00 0.00 C ATOM 0 H THR A 55 24.951 15.314 -14.875 1.00 0.00 H new ATOM 0 HA THR A 55 25.060 12.953 -13.335 1.00 0.00 H new ATOM 0 HB THR A 55 24.794 15.752 -12.284 1.00 0.00 H new ATOM 0 HG1 THR A 55 27.063 16.047 -12.883 1.00 0.00 H new ATOM 0 HG21 THR A 55 26.663 15.072 -10.795 1.00 0.00 H new ATOM 0 HG22 THR A 55 25.261 13.986 -10.650 1.00 0.00 H new ATOM 0 HG23 THR A 55 26.690 13.475 -11.580 1.00 0.00 H new ATOM 932 N SER A 56 23.054 12.845 -11.774 1.00 0.00 N ATOM 933 CA SER A 56 21.791 12.523 -11.107 1.00 0.00 C ATOM 934 C SER A 56 21.268 13.643 -10.183 1.00 0.00 C ATOM 935 O SER A 56 20.179 13.504 -9.621 1.00 0.00 O ATOM 936 CB SER A 56 21.996 11.230 -10.302 1.00 0.00 C ATOM 937 OG SER A 56 22.692 10.248 -11.061 1.00 0.00 O ATOM 0 H SER A 56 23.843 12.306 -11.418 1.00 0.00 H new ATOM 0 HA SER A 56 21.031 12.402 -11.879 1.00 0.00 H new ATOM 0 HB2 SER A 56 22.554 11.451 -9.392 1.00 0.00 H new ATOM 0 HB3 SER A 56 21.028 10.835 -9.994 1.00 0.00 H new ATOM 0 HG SER A 56 22.808 9.439 -10.521 1.00 0.00 H new ATOM 943 N THR A 57 22.045 14.709 -9.990 1.00 0.00 N ATOM 944 CA THR A 57 21.833 15.797 -9.043 1.00 0.00 C ATOM 945 C THR A 57 20.679 16.732 -9.465 1.00 0.00 C ATOM 946 O THR A 57 19.914 16.430 -10.386 1.00 0.00 O ATOM 947 CB THR A 57 23.193 16.518 -8.882 1.00 0.00 C ATOM 948 OG1 THR A 57 23.838 16.672 -10.132 1.00 0.00 O ATOM 949 CG2 THR A 57 24.138 15.709 -7.986 1.00 0.00 C ATOM 0 H THR A 57 22.899 14.841 -10.531 1.00 0.00 H new ATOM 0 HA THR A 57 21.506 15.413 -8.076 1.00 0.00 H new ATOM 0 HB THR A 57 22.980 17.491 -8.439 1.00 0.00 H new ATOM 0 HG1 THR A 57 23.381 17.365 -10.653 1.00 0.00 H new ATOM 0 HG21 THR A 57 25.087 16.236 -7.888 1.00 0.00 H new ATOM 0 HG22 THR A 57 23.688 15.585 -7.001 1.00 0.00 H new ATOM 0 HG23 THR A 57 24.312 14.729 -8.431 1.00 0.00 H new ATOM 957 N ILE A 58 20.532 17.860 -8.764 1.00 0.00 N ATOM 958 CA ILE A 58 19.471 18.842 -8.946 1.00 0.00 C ATOM 959 C ILE A 58 20.142 20.204 -9.161 1.00 0.00 C ATOM 960 O ILE A 58 21.122 20.544 -8.492 1.00 0.00 O ATOM 961 CB ILE A 58 18.557 18.824 -7.695 1.00 0.00 C ATOM 962 CG1 ILE A 58 17.828 17.473 -7.486 1.00 0.00 C ATOM 963 CG2 ILE A 58 17.540 19.976 -7.684 1.00 0.00 C ATOM 964 CD1 ILE A 58 16.749 17.127 -8.520 1.00 0.00 C ATOM 0 H ILE A 58 21.181 18.121 -8.022 1.00 0.00 H new ATOM 0 HA ILE A 58 18.843 18.621 -9.809 1.00 0.00 H new ATOM 0 HB ILE A 58 19.240 18.963 -6.857 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.572 16.677 -7.486 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.368 17.479 -6.498 1.00 0.00 H new ATOM 0 HG21 ILE A 58 16.928 19.912 -6.785 1.00 0.00 H new ATOM 0 HG22 ILE A 58 18.069 20.929 -7.696 1.00 0.00 H new ATOM 0 HG23 ILE A 58 16.901 19.905 -8.564 1.00 0.00 H new ATOM 0 HD11 ILE A 58 16.307 16.161 -8.275 1.00 0.00 H new ATOM 0 HD12 ILE A 58 15.975 17.894 -8.509 1.00 0.00 H new ATOM 0 HD13 ILE A 58 17.198 17.079 -9.512 1.00 0.00 H new ATOM 976 N GLU A 59 19.569 20.987 -10.068 1.00 0.00 N ATOM 977 CA GLU A 59 19.857 22.388 -10.322 1.00 0.00 C ATOM 978 C GLU A 59 18.593 23.138 -9.881 1.00 0.00 C ATOM 979 O GLU A 59 17.496 22.573 -9.917 1.00 0.00 O ATOM 980 CB GLU A 59 20.127 22.638 -11.815 1.00 0.00 C ATOM 981 CG GLU A 59 21.244 21.756 -12.386 1.00 0.00 C ATOM 982 CD GLU A 59 22.603 21.893 -11.682 1.00 0.00 C ATOM 983 OE1 GLU A 59 23.052 23.027 -11.393 1.00 0.00 O ATOM 984 OE2 GLU A 59 23.257 20.848 -11.466 1.00 0.00 O ATOM 0 H GLU A 59 18.840 20.632 -10.687 1.00 0.00 H new ATOM 0 HA GLU A 59 20.748 22.717 -9.787 1.00 0.00 H new ATOM 0 HB2 GLU A 59 19.210 22.461 -12.377 1.00 0.00 H new ATOM 0 HB3 GLU A 59 20.392 23.686 -11.959 1.00 0.00 H new ATOM 0 HG2 GLU A 59 20.927 20.714 -12.332 1.00 0.00 H new ATOM 0 HG3 GLU A 59 21.373 21.996 -13.441 1.00 0.00 H new ATOM 991 N GLU A 60 18.706 24.402 -9.477 1.00 0.00 N ATOM 992 CA GLU A 60 17.586 25.135 -8.894 1.00 0.00 C ATOM 993 C GLU A 60 17.410 26.462 -9.621 1.00 0.00 C ATOM 994 O GLU A 60 18.353 27.253 -9.725 1.00 0.00 O ATOM 995 CB GLU A 60 17.816 25.350 -7.390 1.00 0.00 C ATOM 996 CG GLU A 60 17.749 24.029 -6.615 1.00 0.00 C ATOM 997 CD GLU A 60 17.944 24.250 -5.105 1.00 0.00 C ATOM 998 OE1 GLU A 60 16.952 24.502 -4.386 1.00 0.00 O ATOM 999 OE2 GLU A 60 19.095 24.160 -4.617 1.00 0.00 O ATOM 0 H GLU A 60 19.569 24.942 -9.544 1.00 0.00 H new ATOM 0 HA GLU A 60 16.671 24.554 -9.011 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.789 25.816 -7.233 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.066 26.039 -7.001 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.786 23.551 -6.792 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.516 23.349 -6.986 1.00 0.00 H new ATOM 1006 N LYS A 61 16.187 26.715 -10.092 1.00 0.00 N ATOM 1007 CA LYS A 61 15.766 27.992 -10.668 1.00 0.00 C ATOM 1008 C LYS A 61 14.449 28.367 -10.009 1.00 0.00 C ATOM 1009 O LYS A 61 13.663 27.481 -9.674 1.00 0.00 O ATOM 1010 CB LYS A 61 15.579 27.861 -12.190 1.00 0.00 C ATOM 1011 CG LYS A 61 16.900 27.601 -12.931 1.00 0.00 C ATOM 1012 CD LYS A 61 16.721 27.516 -14.455 1.00 0.00 C ATOM 1013 CE LYS A 61 15.899 26.287 -14.877 1.00 0.00 C ATOM 1014 NZ LYS A 61 15.777 26.175 -16.354 1.00 0.00 N ATOM 0 H LYS A 61 15.443 26.018 -10.083 1.00 0.00 H new ATOM 0 HA LYS A 61 16.521 28.759 -10.494 1.00 0.00 H new ATOM 0 HB2 LYS A 61 14.885 27.047 -12.398 1.00 0.00 H new ATOM 0 HB3 LYS A 61 15.125 28.774 -12.576 1.00 0.00 H new ATOM 0 HG2 LYS A 61 17.606 28.398 -12.697 1.00 0.00 H new ATOM 0 HG3 LYS A 61 17.338 26.671 -12.569 1.00 0.00 H new ATOM 0 HD2 LYS A 61 16.228 28.420 -14.812 1.00 0.00 H new ATOM 0 HD3 LYS A 61 17.700 27.477 -14.932 1.00 0.00 H new ATOM 0 HE2 LYS A 61 16.368 25.385 -14.483 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.904 26.348 -14.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.800 25.919 -16.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 16.019 27.086 -16.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 16.426 25.441 -16.701 1.00 0.00 H new ATOM 1028 N THR A 62 14.182 29.653 -9.831 1.00 0.00 N ATOM 1029 CA THR A 62 12.941 30.108 -9.215 1.00 0.00 C ATOM 1030 C THR A 62 12.009 30.529 -10.343 1.00 0.00 C ATOM 1031 O THR A 62 12.435 31.241 -11.256 1.00 0.00 O ATOM 1032 CB THR A 62 13.247 31.238 -8.223 1.00 0.00 C ATOM 1033 OG1 THR A 62 14.336 30.872 -7.391 1.00 0.00 O ATOM 1034 CG2 THR A 62 12.062 31.489 -7.301 1.00 0.00 C ATOM 0 H THR A 62 14.813 30.406 -10.106 1.00 0.00 H new ATOM 0 HA THR A 62 12.451 29.324 -8.637 1.00 0.00 H new ATOM 0 HB THR A 62 13.473 32.129 -8.809 1.00 0.00 H new ATOM 0 HG1 THR A 62 14.526 31.599 -6.762 1.00 0.00 H new ATOM 0 HG21 THR A 62 12.305 32.294 -6.608 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.192 31.771 -7.895 1.00 0.00 H new ATOM 0 HG23 THR A 62 11.839 30.582 -6.740 1.00 0.00 H new ATOM 1042 N VAL A 63 10.757 30.071 -10.319 1.00 0.00 N ATOM 1043 CA VAL A 63 9.844 30.227 -11.440 1.00 0.00 C ATOM 1044 C VAL A 63 8.422 30.508 -10.951 1.00 0.00 C ATOM 1045 O VAL A 63 8.036 30.180 -9.830 1.00 0.00 O ATOM 1046 CB VAL A 63 9.879 28.987 -12.366 1.00 0.00 C ATOM 1047 CG1 VAL A 63 11.276 28.684 -12.930 1.00 0.00 C ATOM 1048 CG2 VAL A 63 9.352 27.702 -11.706 1.00 0.00 C ATOM 0 H VAL A 63 10.352 29.583 -9.520 1.00 0.00 H new ATOM 0 HA VAL A 63 10.175 31.086 -12.024 1.00 0.00 H new ATOM 0 HB VAL A 63 9.210 29.272 -13.178 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.227 27.803 -13.570 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.626 29.536 -13.512 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.967 28.497 -12.108 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.409 26.878 -12.417 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.958 27.468 -10.831 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.316 27.848 -11.402 1.00 0.00 H new ATOM 1058 N GLU A 64 7.634 31.122 -11.819 1.00 0.00 N ATOM 1059 CA GLU A 64 6.202 31.283 -11.664 1.00 0.00 C ATOM 1060 C GLU A 64 5.602 30.186 -12.538 1.00 0.00 C ATOM 1061 O GLU A 64 5.811 30.171 -13.751 1.00 0.00 O ATOM 1062 CB GLU A 64 5.763 32.696 -12.082 1.00 0.00 C ATOM 1063 CG GLU A 64 4.287 32.929 -11.730 1.00 0.00 C ATOM 1064 CD GLU A 64 3.862 34.385 -11.998 1.00 0.00 C ATOM 1065 OE1 GLU A 64 3.451 34.711 -13.134 1.00 0.00 O ATOM 1066 OE2 GLU A 64 3.918 35.217 -11.064 1.00 0.00 O ATOM 0 H GLU A 64 7.989 31.536 -12.681 1.00 0.00 H new ATOM 0 HA GLU A 64 5.867 31.187 -10.631 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.384 33.439 -11.581 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.912 32.827 -13.154 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.662 32.254 -12.315 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.121 32.688 -10.680 1.00 0.00 H new ATOM 1073 N VAL A 65 4.936 29.219 -11.920 1.00 0.00 N ATOM 1074 CA VAL A 65 4.200 28.163 -12.591 1.00 0.00 C ATOM 1075 C VAL A 65 2.907 28.796 -13.089 1.00 0.00 C ATOM 1076 O VAL A 65 2.171 29.401 -12.309 1.00 0.00 O ATOM 1077 CB VAL A 65 3.951 26.995 -11.612 1.00 0.00 C ATOM 1078 CG1 VAL A 65 3.317 25.809 -12.348 1.00 0.00 C ATOM 1079 CG2 VAL A 65 5.266 26.523 -10.963 1.00 0.00 C ATOM 0 H VAL A 65 4.894 29.149 -10.903 1.00 0.00 H new ATOM 0 HA VAL A 65 4.750 27.740 -13.432 1.00 0.00 H new ATOM 0 HB VAL A 65 3.277 27.358 -10.836 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.147 24.993 -11.645 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.366 26.117 -12.783 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.986 25.472 -13.140 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.059 25.700 -10.279 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.954 26.186 -11.738 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.717 27.348 -10.412 1.00 0.00 H new ATOM 1089 N LEU A 66 2.647 28.685 -14.390 1.00 0.00 N ATOM 1090 CA LEU A 66 1.578 29.421 -15.057 1.00 0.00 C ATOM 1091 C LEU A 66 0.315 28.582 -15.207 1.00 0.00 C ATOM 1092 O LEU A 66 -0.788 29.129 -15.186 1.00 0.00 O ATOM 1093 CB LEU A 66 2.051 29.869 -16.451 1.00 0.00 C ATOM 1094 CG LEU A 66 3.431 30.553 -16.486 1.00 0.00 C ATOM 1095 CD1 LEU A 66 3.746 30.981 -17.916 1.00 0.00 C ATOM 1096 CD2 LEU A 66 3.535 31.746 -15.532 1.00 0.00 C ATOM 0 H LEU A 66 3.177 28.077 -15.015 1.00 0.00 H new ATOM 0 HA LEU A 66 1.339 30.286 -14.438 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.078 28.998 -17.105 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.312 30.555 -16.865 1.00 0.00 H new ATOM 0 HG LEU A 66 4.165 29.825 -16.141 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.722 31.465 -17.944 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.757 30.105 -18.564 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.984 31.679 -18.263 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.531 32.184 -15.604 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.789 32.494 -15.802 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.359 31.411 -14.510 1.00 0.00 H new ATOM 1108 N GLY A 67 0.465 27.267 -15.368 1.00 0.00 N ATOM 1109 CA GLY A 67 -0.620 26.351 -15.643 1.00 0.00 C ATOM 1110 C GLY A 67 -0.039 25.014 -16.069 1.00 0.00 C ATOM 1111 O GLY A 67 1.169 24.886 -16.279 1.00 0.00 O ATOM 0 H GLY A 67 1.373 26.806 -15.307 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.242 26.226 -14.757 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.261 26.751 -16.429 1.00 0.00 H new ATOM 1115 N MET A 68 -0.901 24.013 -16.195 1.00 0.00 N ATOM 1116 CA MET A 68 -0.529 22.728 -16.775 1.00 0.00 C ATOM 1117 C MET A 68 -0.151 22.925 -18.245 1.00 0.00 C ATOM 1118 O MET A 68 -0.728 23.766 -18.941 1.00 0.00 O ATOM 1119 CB MET A 68 -1.689 21.725 -16.658 1.00 0.00 C ATOM 1120 CG MET A 68 -2.038 21.349 -15.211 1.00 0.00 C ATOM 1121 SD MET A 68 -0.849 20.272 -14.361 1.00 0.00 S ATOM 1122 CE MET A 68 -1.231 18.687 -15.155 1.00 0.00 C ATOM 0 H MET A 68 -1.876 24.068 -15.899 1.00 0.00 H new ATOM 0 HA MET A 68 0.325 22.327 -16.230 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.572 22.147 -17.137 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.431 20.819 -17.207 1.00 0.00 H new ATOM 0 HG2 MET A 68 -2.144 22.267 -14.633 1.00 0.00 H new ATOM 0 HG3 MET A 68 -3.010 20.857 -15.209 1.00 0.00 H new ATOM 0 HE1 MET A 68 -0.806 17.874 -14.567 1.00 0.00 H new ATOM 0 HE2 MET A 68 -2.312 18.563 -15.218 1.00 0.00 H new ATOM 0 HE3 MET A 68 -0.805 18.670 -16.158 1.00 0.00 H new ATOM 1132 N ALA A 69 0.814 22.133 -18.715 1.00 0.00 N ATOM 1133 CA ALA A 69 1.141 22.031 -20.133 1.00 0.00 C ATOM 1134 C ALA A 69 -0.033 21.357 -20.871 1.00 0.00 C ATOM 1135 O ALA A 69 -0.906 20.787 -20.209 1.00 0.00 O ATOM 1136 CB ALA A 69 2.424 21.208 -20.274 1.00 0.00 C ATOM 0 H ALA A 69 1.392 21.542 -18.117 1.00 0.00 H new ATOM 0 HA ALA A 69 1.302 23.017 -20.570 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.686 21.120 -21.328 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.234 21.703 -19.739 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.267 20.214 -19.855 1.00 0.00 H new ATOM 1142 N PRO A 70 -0.077 21.381 -22.217 1.00 0.00 N ATOM 1143 CA PRO A 70 -1.068 20.638 -22.982 1.00 0.00 C ATOM 1144 C PRO A 70 -1.171 19.171 -22.551 1.00 0.00 C ATOM 1145 O PRO A 70 -0.164 18.506 -22.282 1.00 0.00 O ATOM 1146 CB PRO A 70 -0.648 20.762 -24.448 1.00 0.00 C ATOM 1147 CG PRO A 70 0.096 22.095 -24.477 1.00 0.00 C ATOM 1148 CD PRO A 70 0.789 22.130 -23.115 1.00 0.00 C ATOM 0 HA PRO A 70 -2.064 21.048 -22.812 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.008 19.935 -24.756 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.509 20.765 -25.116 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.813 22.139 -25.296 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.586 22.936 -24.605 1.00 0.00 H new ATOM 0 HD2 PRO A 70 1.781 21.681 -23.168 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.921 23.155 -22.768 1.00 0.00 H new ATOM 1156 N ASP A 71 -2.399 18.653 -22.556 1.00 0.00 N ATOM 1157 CA ASP A 71 -2.693 17.268 -22.190 1.00 0.00 C ATOM 1158 C ASP A 71 -1.951 16.281 -23.094 1.00 0.00 C ATOM 1159 O ASP A 71 -1.597 15.196 -22.642 1.00 0.00 O ATOM 1160 CB ASP A 71 -4.203 16.987 -22.223 1.00 0.00 C ATOM 1161 CG ASP A 71 -4.744 16.778 -23.649 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -4.939 17.783 -24.370 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -5.002 15.622 -24.052 1.00 0.00 O ATOM 0 H ASP A 71 -3.226 19.189 -22.817 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.341 17.127 -21.168 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.415 16.100 -21.626 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.732 17.819 -21.758 1.00 0.00 H new ATOM 1168 N ASP A 72 -1.654 16.677 -24.336 1.00 0.00 N ATOM 1169 CA ASP A 72 -0.948 15.862 -25.325 1.00 0.00 C ATOM 1170 C ASP A 72 0.472 15.488 -24.885 1.00 0.00 C ATOM 1171 O ASP A 72 1.004 14.466 -25.319 1.00 0.00 O ATOM 1172 CB ASP A 72 -0.897 16.617 -26.659 1.00 0.00 C ATOM 1173 CG ASP A 72 -0.172 15.805 -27.746 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -0.732 14.793 -28.226 1.00 0.00 O ATOM 1175 OD2 ASP A 72 0.936 16.205 -28.169 1.00 0.00 O ATOM 0 H ASP A 72 -1.906 17.600 -24.689 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.501 14.929 -25.433 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.911 16.842 -26.989 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.389 17.571 -26.518 1.00 0.00 H new ATOM 1180 N GLU A 73 1.085 16.283 -24.003 1.00 0.00 N ATOM 1181 CA GLU A 73 2.397 15.977 -23.437 1.00 0.00 C ATOM 1182 C GLU A 73 2.255 15.185 -22.132 1.00 0.00 C ATOM 1183 O GLU A 73 3.157 14.435 -21.758 1.00 0.00 O ATOM 1184 CB GLU A 73 3.189 17.274 -23.193 1.00 0.00 C ATOM 1185 CG GLU A 73 3.521 17.994 -24.508 1.00 0.00 C ATOM 1186 CD GLU A 73 4.503 19.160 -24.295 1.00 0.00 C ATOM 1187 OE1 GLU A 73 5.728 18.917 -24.199 1.00 0.00 O ATOM 1188 OE2 GLU A 73 4.067 20.332 -24.266 1.00 0.00 O ATOM 0 H GLU A 73 0.683 17.157 -23.663 1.00 0.00 H new ATOM 0 HA GLU A 73 2.944 15.362 -24.152 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.610 17.938 -22.551 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.112 17.042 -22.662 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.951 17.282 -25.213 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.602 18.371 -24.957 1.00 0.00 H new ATOM 1195 N CYS A 74 1.115 15.302 -21.447 1.00 0.00 N ATOM 1196 CA CYS A 74 0.919 14.786 -20.098 1.00 0.00 C ATOM 1197 C CYS A 74 0.539 13.294 -20.063 1.00 0.00 C ATOM 1198 O CYS A 74 -0.108 12.845 -19.117 1.00 0.00 O ATOM 1199 CB CYS A 74 -0.093 15.670 -19.358 1.00 0.00 C ATOM 1200 SG CYS A 74 0.527 17.379 -19.255 1.00 0.00 S ATOM 0 H CYS A 74 0.290 15.767 -21.825 1.00 0.00 H new ATOM 0 HA CYS A 74 1.875 14.834 -19.577 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.051 15.653 -19.878 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.267 15.277 -18.356 1.00 0.00 H new ATOM 0 HG CYS A 74 0.312 17.987 -20.384 1.00 0.00 H new ATOM 1206 N LEU A 75 0.901 12.517 -21.091 1.00 0.00 N ATOM 1207 CA LEU A 75 0.605 11.081 -21.175 1.00 0.00 C ATOM 1208 C LEU A 75 1.591 10.218 -20.374 1.00 0.00 C ATOM 1209 O LEU A 75 1.312 9.042 -20.140 1.00 0.00 O ATOM 1210 CB LEU A 75 0.630 10.614 -22.647 1.00 0.00 C ATOM 1211 CG LEU A 75 -0.707 10.675 -23.404 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -1.781 9.774 -22.777 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -1.242 12.100 -23.553 1.00 0.00 C ATOM 0 H LEU A 75 1.414 12.872 -21.898 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.387 10.950 -20.743 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.357 11.222 -23.186 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.992 9.586 -22.674 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.484 10.296 -24.401 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.704 9.855 -23.351 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.438 8.739 -22.786 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.964 10.087 -21.749 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.187 12.079 -24.095 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.400 12.535 -22.566 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.521 12.704 -24.104 1.00 0.00 H new ATOM 1225 N LYS A 76 2.747 10.767 -19.986 1.00 0.00 N ATOM 1226 CA LYS A 76 3.864 9.998 -19.411 1.00 0.00 C ATOM 1227 C LYS A 76 4.401 10.597 -18.113 1.00 0.00 C ATOM 1228 O LYS A 76 4.922 9.872 -17.266 1.00 0.00 O ATOM 1229 CB LYS A 76 5.003 9.875 -20.439 1.00 0.00 C ATOM 1230 CG LYS A 76 4.600 9.080 -21.693 1.00 0.00 C ATOM 1231 CD LYS A 76 5.791 8.923 -22.651 1.00 0.00 C ATOM 1232 CE LYS A 76 5.413 8.189 -23.948 1.00 0.00 C ATOM 1233 NZ LYS A 76 5.094 6.753 -23.735 1.00 0.00 N ATOM 0 H LYS A 76 2.939 11.766 -20.061 1.00 0.00 H new ATOM 0 HA LYS A 76 3.470 9.012 -19.165 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.325 10.873 -20.737 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.859 9.391 -19.968 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.231 8.097 -21.402 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.782 9.589 -22.204 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.187 9.908 -22.897 1.00 0.00 H new ATOM 0 HD3 LYS A 76 6.588 8.376 -22.147 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.553 8.683 -24.400 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.236 8.271 -24.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.847 6.314 -24.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.921 6.270 -23.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.290 6.669 -23.081 1.00 0.00 H new ATOM 1247 N ASP A 77 4.257 11.903 -17.928 1.00 0.00 N ATOM 1248 CA ASP A 77 4.637 12.641 -16.729 1.00 0.00 C ATOM 1249 C ASP A 77 3.674 13.824 -16.679 1.00 0.00 C ATOM 1250 O ASP A 77 3.054 14.148 -17.697 1.00 0.00 O ATOM 1251 CB ASP A 77 6.104 13.100 -16.825 1.00 0.00 C ATOM 1252 CG ASP A 77 6.770 13.360 -15.463 1.00 0.00 C ATOM 1253 OD1 ASP A 77 6.161 13.994 -14.574 1.00 0.00 O ATOM 1254 OD2 ASP A 77 7.934 12.933 -15.288 1.00 0.00 O ATOM 0 H ASP A 77 3.853 12.506 -18.644 1.00 0.00 H new ATOM 0 HA ASP A 77 4.572 12.038 -15.823 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.677 12.342 -17.359 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.150 14.012 -17.420 1.00 0.00 H new ATOM 1259 N MET A 78 3.504 14.454 -15.525 1.00 0.00 N ATOM 1260 CA MET A 78 2.743 15.697 -15.445 1.00 0.00 C ATOM 1261 C MET A 78 3.689 16.838 -15.812 1.00 0.00 C ATOM 1262 O MET A 78 4.843 16.838 -15.380 1.00 0.00 O ATOM 1263 CB MET A 78 2.159 15.868 -14.037 1.00 0.00 C ATOM 1264 CG MET A 78 1.070 14.832 -13.732 1.00 0.00 C ATOM 1265 SD MET A 78 -0.434 14.936 -14.747 1.00 0.00 S ATOM 1266 CE MET A 78 -0.163 13.551 -15.890 1.00 0.00 C ATOM 0 H MET A 78 3.880 14.129 -14.634 1.00 0.00 H new ATOM 0 HA MET A 78 1.900 15.689 -16.136 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.958 15.780 -13.301 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.743 16.870 -13.937 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.498 13.837 -13.853 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.785 14.931 -12.684 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.883 13.607 -16.707 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.848 13.604 -16.293 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.292 12.609 -15.357 1.00 0.00 H new ATOM 1276 N TYR A 79 3.219 17.836 -16.563 1.00 0.00 N ATOM 1277 CA TYR A 79 4.045 18.948 -17.026 1.00 0.00 C ATOM 1278 C TYR A 79 3.299 20.260 -16.812 1.00 0.00 C ATOM 1279 O TYR A 79 2.066 20.299 -16.835 1.00 0.00 O ATOM 1280 CB TYR A 79 4.382 18.793 -18.518 1.00 0.00 C ATOM 1281 CG TYR A 79 5.299 17.652 -18.910 1.00 0.00 C ATOM 1282 CD1 TYR A 79 4.751 16.399 -19.241 1.00 0.00 C ATOM 1283 CD2 TYR A 79 6.683 17.867 -19.050 1.00 0.00 C ATOM 1284 CE1 TYR A 79 5.575 15.362 -19.707 1.00 0.00 C ATOM 1285 CE2 TYR A 79 7.513 16.838 -19.532 1.00 0.00 C ATOM 1286 CZ TYR A 79 6.964 15.575 -19.853 1.00 0.00 C ATOM 1287 OH TYR A 79 7.778 14.576 -20.298 1.00 0.00 O ATOM 0 H TYR A 79 2.247 17.894 -16.868 1.00 0.00 H new ATOM 0 HA TYR A 79 4.974 18.950 -16.456 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.446 18.676 -19.065 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.836 19.723 -18.859 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.689 16.234 -19.136 1.00 0.00 H new ATOM 0 HD2 TYR A 79 7.109 18.824 -18.787 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.147 14.402 -19.954 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.571 17.013 -19.657 1.00 0.00 H new ATOM 0 HH TYR A 79 8.702 14.900 -20.338 1.00 0.00 H new ATOM 1297 N VAL A 80 4.058 21.340 -16.650 1.00 0.00 N ATOM 1298 CA VAL A 80 3.554 22.663 -16.324 1.00 0.00 C ATOM 1299 C VAL A 80 4.361 23.694 -17.102 1.00 0.00 C ATOM 1300 O VAL A 80 5.571 23.541 -17.279 1.00 0.00 O ATOM 1301 CB VAL A 80 3.622 22.919 -14.803 1.00 0.00 C ATOM 1302 CG1 VAL A 80 2.464 22.242 -14.063 1.00 0.00 C ATOM 1303 CG2 VAL A 80 4.948 22.485 -14.149 1.00 0.00 C ATOM 0 H VAL A 80 5.073 21.314 -16.746 1.00 0.00 H new ATOM 0 HA VAL A 80 2.505 22.740 -16.609 1.00 0.00 H new ATOM 0 HB VAL A 80 3.548 24.002 -14.708 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.546 22.445 -12.995 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.517 22.633 -14.435 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.504 21.166 -14.232 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.914 22.699 -13.081 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.095 21.416 -14.300 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.774 23.033 -14.603 1.00 0.00 H new ATOM 1313 N GLU A 81 3.686 24.734 -17.577 1.00 0.00 N ATOM 1314 CA GLU A 81 4.326 25.896 -18.174 1.00 0.00 C ATOM 1315 C GLU A 81 4.839 26.775 -17.036 1.00 0.00 C ATOM 1316 O GLU A 81 4.148 26.940 -16.026 1.00 0.00 O ATOM 1317 CB GLU A 81 3.328 26.680 -19.040 1.00 0.00 C ATOM 1318 CG GLU A 81 2.869 25.877 -20.264 1.00 0.00 C ATOM 1319 CD GLU A 81 2.014 26.737 -21.212 1.00 0.00 C ATOM 1320 OE1 GLU A 81 0.807 26.936 -20.946 1.00 0.00 O ATOM 1321 OE2 GLU A 81 2.536 27.210 -22.247 1.00 0.00 O ATOM 0 H GLU A 81 2.668 24.793 -17.557 1.00 0.00 H new ATOM 0 HA GLU A 81 5.147 25.583 -18.819 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.460 26.950 -18.438 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.789 27.611 -19.370 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.739 25.498 -20.800 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.294 25.011 -19.938 1.00 0.00 H new ATOM 1328 N VAL A 82 6.028 27.356 -17.192 1.00 0.00 N ATOM 1329 CA VAL A 82 6.673 28.143 -16.143 1.00 0.00 C ATOM 1330 C VAL A 82 7.402 29.341 -16.755 1.00 0.00 C ATOM 1331 O VAL A 82 7.880 29.259 -17.886 1.00 0.00 O ATOM 1332 CB VAL A 82 7.621 27.253 -15.294 1.00 0.00 C ATOM 1333 CG1 VAL A 82 6.953 25.993 -14.716 1.00 0.00 C ATOM 1334 CG2 VAL A 82 8.877 26.782 -16.049 1.00 0.00 C ATOM 0 H VAL A 82 6.572 27.294 -18.052 1.00 0.00 H new ATOM 0 HA VAL A 82 5.910 28.531 -15.468 1.00 0.00 H new ATOM 0 HB VAL A 82 7.901 27.928 -14.485 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.683 25.427 -14.137 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.124 26.284 -14.070 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.578 25.374 -15.531 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.488 26.166 -15.390 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.580 26.197 -16.920 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.453 27.649 -16.373 1.00 0.00 H new ATOM 1344 N ALA A 83 7.539 30.437 -16.009 1.00 0.00 N ATOM 1345 CA ALA A 83 8.282 31.625 -16.412 1.00 0.00 C ATOM 1346 C ALA A 83 9.324 31.904 -15.336 1.00 0.00 C ATOM 1347 O ALA A 83 9.051 31.743 -14.148 1.00 0.00 O ATOM 1348 CB ALA A 83 7.338 32.820 -16.567 1.00 0.00 C ATOM 0 H ALA A 83 7.123 30.523 -15.082 1.00 0.00 H new ATOM 0 HA ALA A 83 8.765 31.462 -17.375 1.00 0.00 H new ATOM 0 HB1 ALA A 83 7.909 33.698 -16.868 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.589 32.596 -17.327 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.842 33.018 -15.617 1.00 0.00 H new ATOM 1354 N ASP A 84 10.525 32.292 -15.744 1.00 0.00 N ATOM 1355 CA ASP A 84 11.647 32.495 -14.828 1.00 0.00 C ATOM 1356 C ASP A 84 11.442 33.730 -13.937 1.00 0.00 C ATOM 1357 O ASP A 84 10.994 34.769 -14.423 1.00 0.00 O ATOM 1358 CB ASP A 84 12.913 32.659 -15.671 1.00 0.00 C ATOM 1359 CG ASP A 84 14.131 32.927 -14.799 1.00 0.00 C ATOM 1360 OD1 ASP A 84 14.687 31.980 -14.202 1.00 0.00 O ATOM 1361 OD2 ASP A 84 14.512 34.113 -14.737 1.00 0.00 O ATOM 0 H ASP A 84 10.752 32.476 -16.721 1.00 0.00 H new ATOM 0 HA ASP A 84 11.728 31.635 -14.163 1.00 0.00 H new ATOM 0 HB2 ASP A 84 13.078 31.758 -16.261 1.00 0.00 H new ATOM 0 HB3 ASP A 84 12.779 33.481 -16.374 1.00 0.00 H new ATOM 1366 N ILE A 85 11.819 33.641 -12.656 1.00 0.00 N ATOM 1367 CA ILE A 85 11.847 34.754 -11.698 1.00 0.00 C ATOM 1368 C ILE A 85 13.305 34.979 -11.236 1.00 0.00 C ATOM 1369 O ILE A 85 13.618 34.934 -10.043 1.00 0.00 O ATOM 1370 CB ILE A 85 10.862 34.567 -10.510 1.00 0.00 C ATOM 1371 CG1 ILE A 85 9.482 33.970 -10.860 1.00 0.00 C ATOM 1372 CG2 ILE A 85 10.623 35.933 -9.830 1.00 0.00 C ATOM 1373 CD1 ILE A 85 8.718 33.557 -9.591 1.00 0.00 C ATOM 0 H ILE A 85 12.124 32.760 -12.242 1.00 0.00 H new ATOM 0 HA ILE A 85 11.491 35.652 -12.202 1.00 0.00 H new ATOM 0 HB ILE A 85 11.351 33.840 -9.862 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.897 34.701 -11.418 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.611 33.103 -11.508 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.933 35.808 -8.996 1.00 0.00 H new ATOM 0 HG22 ILE A 85 11.570 36.327 -9.461 1.00 0.00 H new ATOM 0 HG23 ILE A 85 10.197 36.629 -10.552 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.750 33.140 -9.869 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.293 32.808 -9.048 1.00 0.00 H new ATOM 0 HD13 ILE A 85 8.568 34.430 -8.956 1.00 0.00 H new ATOM 1385 N GLY A 86 14.219 35.199 -12.181 1.00 0.00 N ATOM 1386 CA GLY A 86 15.609 35.564 -11.916 1.00 0.00 C ATOM 1387 C GLY A 86 16.098 36.625 -12.904 1.00 0.00 C ATOM 1388 O GLY A 86 16.721 37.606 -12.491 1.00 0.00 O ATOM 0 H GLY A 86 14.007 35.126 -13.176 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.701 35.941 -10.897 1.00 0.00 H new ATOM 0 HA3 GLY A 86 16.241 34.678 -11.987 1.00 0.00 H new ATOM 1392 N GLY A 87 15.757 36.483 -14.187 1.00 0.00 N ATOM 1393 CA GLY A 87 16.033 37.471 -15.220 1.00 0.00 C ATOM 1394 C GLY A 87 15.558 37.107 -16.629 1.00 0.00 C ATOM 1395 O GLY A 87 15.883 37.839 -17.566 1.00 0.00 O ATOM 0 H GLY A 87 15.271 35.658 -14.539 1.00 0.00 H new ATOM 0 HA2 GLY A 87 15.566 38.413 -14.931 1.00 0.00 H new ATOM 0 HA3 GLY A 87 17.108 37.645 -15.253 1.00 0.00 H new ATOM 1399 N LYS A 88 14.795 36.021 -16.810 1.00 0.00 N ATOM 1400 CA LYS A 88 14.322 35.558 -18.122 1.00 0.00 C ATOM 1401 C LYS A 88 12.789 35.510 -18.154 1.00 0.00 C ATOM 1402 O LYS A 88 12.203 34.728 -18.899 1.00 0.00 O ATOM 1403 CB LYS A 88 14.992 34.220 -18.501 1.00 0.00 C ATOM 1404 CG LYS A 88 16.530 34.284 -18.425 1.00 0.00 C ATOM 1405 CD LYS A 88 17.219 33.023 -18.966 1.00 0.00 C ATOM 1406 CE LYS A 88 17.152 32.959 -20.499 1.00 0.00 C ATOM 1407 NZ LYS A 88 17.844 31.761 -21.039 1.00 0.00 N ATOM 0 H LYS A 88 14.484 35.431 -16.038 1.00 0.00 H new ATOM 0 HA LYS A 88 14.620 36.272 -18.889 1.00 0.00 H new ATOM 0 HB2 LYS A 88 14.631 33.436 -17.835 1.00 0.00 H new ATOM 0 HB3 LYS A 88 14.693 33.942 -19.512 1.00 0.00 H new ATOM 0 HG2 LYS A 88 16.879 35.150 -18.988 1.00 0.00 H new ATOM 0 HG3 LYS A 88 16.829 34.436 -17.388 1.00 0.00 H new ATOM 0 HD2 LYS A 88 18.261 33.010 -18.645 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.744 32.138 -18.543 1.00 0.00 H new ATOM 0 HE2 LYS A 88 16.109 32.948 -20.816 1.00 0.00 H new ATOM 0 HE3 LYS A 88 17.603 33.858 -20.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 17.774 31.758 -22.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 18.845 31.783 -20.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 17.398 30.902 -20.660 1.00 0.00 H new ATOM 1421 N ASP A 89 12.138 36.352 -17.343 1.00 0.00 N ATOM 1422 CA ASP A 89 10.678 36.492 -17.251 1.00 0.00 C ATOM 1423 C ASP A 89 10.031 36.814 -18.606 1.00 0.00 C ATOM 1424 O ASP A 89 8.856 36.519 -18.825 1.00 0.00 O ATOM 1425 CB ASP A 89 10.347 37.611 -16.253 1.00 0.00 C ATOM 1426 CG ASP A 89 8.836 37.890 -16.171 1.00 0.00 C ATOM 1427 OD1 ASP A 89 8.088 37.070 -15.593 1.00 0.00 O ATOM 1428 OD2 ASP A 89 8.395 38.964 -16.640 1.00 0.00 O ATOM 0 H ASP A 89 12.632 36.979 -16.708 1.00 0.00 H new ATOM 0 HA ASP A 89 10.274 35.536 -16.917 1.00 0.00 H new ATOM 0 HB2 ASP A 89 10.718 37.336 -15.266 1.00 0.00 H new ATOM 0 HB3 ASP A 89 10.867 38.523 -16.546 1.00 0.00 H new ATOM 1433 N ASP A 90 10.805 37.400 -19.525 1.00 0.00 N ATOM 1434 CA ASP A 90 10.398 37.720 -20.894 1.00 0.00 C ATOM 1435 C ASP A 90 10.049 36.474 -21.731 1.00 0.00 C ATOM 1436 O ASP A 90 9.460 36.604 -22.805 1.00 0.00 O ATOM 1437 CB ASP A 90 11.525 38.515 -21.568 1.00 0.00 C ATOM 1438 CG ASP A 90 11.150 38.987 -22.984 1.00 0.00 C ATOM 1439 OD1 ASP A 90 10.233 39.828 -23.124 1.00 0.00 O ATOM 1440 OD2 ASP A 90 11.812 38.571 -23.962 1.00 0.00 O ATOM 0 H ASP A 90 11.767 37.674 -19.327 1.00 0.00 H new ATOM 0 HA ASP A 90 9.484 38.312 -20.840 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.772 39.381 -20.954 1.00 0.00 H new ATOM 0 HB3 ASP A 90 12.421 37.896 -21.620 1.00 0.00 H new ATOM 1445 N ASP A 91 10.377 35.266 -21.257 1.00 0.00 N ATOM 1446 CA ASP A 91 10.157 34.005 -21.962 1.00 0.00 C ATOM 1447 C ASP A 91 9.580 32.953 -21.004 1.00 0.00 C ATOM 1448 O ASP A 91 9.572 33.136 -19.783 1.00 0.00 O ATOM 1449 CB ASP A 91 11.477 33.541 -22.606 1.00 0.00 C ATOM 1450 CG ASP A 91 11.304 32.387 -23.613 1.00 0.00 C ATOM 1451 OD1 ASP A 91 10.191 32.197 -24.153 1.00 0.00 O ATOM 1452 OD2 ASP A 91 12.303 31.696 -23.911 1.00 0.00 O ATOM 0 H ASP A 91 10.816 35.139 -20.345 1.00 0.00 H new ATOM 0 HA ASP A 91 9.426 34.148 -22.758 1.00 0.00 H new ATOM 0 HB2 ASP A 91 11.941 34.387 -23.113 1.00 0.00 H new ATOM 0 HB3 ASP A 91 12.163 33.226 -21.820 1.00 0.00 H new ATOM 1457 N VAL A 92 9.070 31.856 -21.562 1.00 0.00 N ATOM 1458 CA VAL A 92 8.320 30.820 -20.864 1.00 0.00 C ATOM 1459 C VAL A 92 8.873 29.464 -21.318 1.00 0.00 C ATOM 1460 O VAL A 92 9.342 29.307 -22.450 1.00 0.00 O ATOM 1461 CB VAL A 92 6.809 30.969 -21.166 1.00 0.00 C ATOM 1462 CG1 VAL A 92 5.922 29.916 -20.483 1.00 0.00 C ATOM 1463 CG2 VAL A 92 6.272 32.358 -20.774 1.00 0.00 C ATOM 0 H VAL A 92 9.175 31.659 -22.557 1.00 0.00 H new ATOM 0 HA VAL A 92 8.432 30.906 -19.783 1.00 0.00 H new ATOM 0 HB VAL A 92 6.748 30.824 -22.245 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.879 30.092 -20.747 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.217 28.921 -20.815 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.040 29.987 -19.402 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.208 32.415 -21.005 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.421 32.518 -19.706 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.806 33.126 -21.334 1.00 0.00 H new ATOM 1473 N TYR A 93 8.799 28.491 -20.418 1.00 0.00 N ATOM 1474 CA TYR A 93 9.383 27.166 -20.531 1.00 0.00 C ATOM 1475 C TYR A 93 8.349 26.139 -20.064 1.00 0.00 C ATOM 1476 O TYR A 93 7.255 26.501 -19.624 1.00 0.00 O ATOM 1477 CB TYR A 93 10.662 27.118 -19.672 1.00 0.00 C ATOM 1478 CG TYR A 93 11.647 28.239 -19.960 1.00 0.00 C ATOM 1479 CD1 TYR A 93 12.514 28.142 -21.064 1.00 0.00 C ATOM 1480 CD2 TYR A 93 11.653 29.403 -19.163 1.00 0.00 C ATOM 1481 CE1 TYR A 93 13.379 29.204 -21.380 1.00 0.00 C ATOM 1482 CE2 TYR A 93 12.514 30.471 -19.474 1.00 0.00 C ATOM 1483 CZ TYR A 93 13.378 30.376 -20.589 1.00 0.00 C ATOM 1484 OH TYR A 93 14.203 31.415 -20.897 1.00 0.00 O ATOM 0 H TYR A 93 8.299 28.617 -19.538 1.00 0.00 H new ATOM 0 HA TYR A 93 9.655 26.936 -21.561 1.00 0.00 H new ATOM 0 HB2 TYR A 93 10.381 27.157 -18.620 1.00 0.00 H new ATOM 0 HB3 TYR A 93 11.159 26.162 -19.834 1.00 0.00 H new ATOM 0 HD1 TYR A 93 12.515 27.249 -21.671 1.00 0.00 H new ATOM 0 HD2 TYR A 93 10.994 29.474 -18.311 1.00 0.00 H new ATOM 0 HE1 TYR A 93 14.044 29.125 -22.227 1.00 0.00 H new ATOM 0 HE2 TYR A 93 12.515 31.361 -18.863 1.00 0.00 H new ATOM 0 HH TYR A 93 13.787 32.257 -20.616 1.00 0.00 H new ATOM 1494 N THR A 94 8.711 24.860 -20.117 1.00 0.00 N ATOM 1495 CA THR A 94 7.897 23.771 -19.595 1.00 0.00 C ATOM 1496 C THR A 94 8.795 22.924 -18.695 1.00 0.00 C ATOM 1497 O THR A 94 9.946 22.648 -19.043 1.00 0.00 O ATOM 1498 CB THR A 94 7.259 22.957 -20.741 1.00 0.00 C ATOM 1499 OG1 THR A 94 6.807 23.797 -21.791 1.00 0.00 O ATOM 1500 CG2 THR A 94 6.053 22.149 -20.253 1.00 0.00 C ATOM 0 H THR A 94 9.590 24.549 -20.530 1.00 0.00 H new ATOM 0 HA THR A 94 7.060 24.152 -19.011 1.00 0.00 H new ATOM 0 HB THR A 94 8.041 22.289 -21.103 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.410 23.249 -22.500 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.629 21.589 -21.086 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.370 21.456 -19.474 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.300 22.827 -19.851 1.00 0.00 H new ATOM 1508 N ALA A 95 8.260 22.525 -17.544 1.00 0.00 N ATOM 1509 CA ALA A 95 8.934 21.715 -16.544 1.00 0.00 C ATOM 1510 C ALA A 95 8.046 20.514 -16.236 1.00 0.00 C ATOM 1511 O ALA A 95 6.826 20.582 -16.411 1.00 0.00 O ATOM 1512 CB ALA A 95 9.161 22.562 -15.285 1.00 0.00 C ATOM 0 H ALA A 95 7.307 22.769 -17.276 1.00 0.00 H new ATOM 0 HA ALA A 95 9.902 21.368 -16.904 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.667 21.962 -14.529 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.777 23.426 -15.534 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.201 22.901 -14.897 1.00 0.00 H new ATOM 1518 N LYS A 96 8.639 19.414 -15.767 1.00 0.00 N ATOM 1519 CA LYS A 96 7.842 18.318 -15.238 1.00 0.00 C ATOM 1520 C LYS A 96 7.375 18.784 -13.870 1.00 0.00 C ATOM 1521 O LYS A 96 8.162 19.377 -13.129 1.00 0.00 O ATOM 1522 CB LYS A 96 8.629 17.005 -15.070 1.00 0.00 C ATOM 1523 CG LYS A 96 9.234 16.383 -16.342 1.00 0.00 C ATOM 1524 CD LYS A 96 10.587 16.949 -16.810 1.00 0.00 C ATOM 1525 CE LYS A 96 11.657 16.776 -15.720 1.00 0.00 C ATOM 1526 NZ LYS A 96 12.992 17.292 -16.109 1.00 0.00 N ATOM 0 H LYS A 96 9.648 19.264 -15.744 1.00 0.00 H new ATOM 0 HA LYS A 96 7.033 18.095 -15.934 1.00 0.00 H new ATOM 0 HB2 LYS A 96 9.439 17.184 -14.363 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.966 16.269 -14.616 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.352 15.312 -16.175 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.516 16.501 -17.154 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.904 16.441 -17.721 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.479 18.005 -17.056 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.328 17.288 -14.816 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.744 15.718 -15.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 13.505 17.603 -15.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 13.531 16.539 -16.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.878 18.097 -16.758 1.00 0.00 H new ATOM 1540 N LEU A 97 6.151 18.449 -13.479 1.00 0.00 N ATOM 1541 CA LEU A 97 5.712 18.648 -12.101 1.00 0.00 C ATOM 1542 C LEU A 97 6.605 17.811 -11.170 1.00 0.00 C ATOM 1543 O LEU A 97 6.876 18.211 -10.043 1.00 0.00 O ATOM 1544 CB LEU A 97 4.229 18.280 -11.942 1.00 0.00 C ATOM 1545 CG LEU A 97 3.606 18.818 -10.636 1.00 0.00 C ATOM 1546 CD1 LEU A 97 3.556 20.353 -10.628 1.00 0.00 C ATOM 1547 CD2 LEU A 97 2.180 18.280 -10.496 1.00 0.00 C ATOM 0 H LEU A 97 5.447 18.040 -14.093 1.00 0.00 H new ATOM 0 HA LEU A 97 5.808 19.700 -11.832 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.671 18.672 -12.792 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.126 17.195 -11.966 1.00 0.00 H new ATOM 0 HG LEU A 97 4.228 18.486 -9.805 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.112 20.698 -9.694 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.567 20.750 -10.717 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.954 20.702 -11.467 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.737 18.658 -9.575 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.582 18.607 -11.347 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.203 17.191 -10.467 1.00 0.00 H new ATOM 1559 N SER A 98 7.135 16.695 -11.686 1.00 0.00 N ATOM 1560 CA SER A 98 8.142 15.852 -11.052 1.00 0.00 C ATOM 1561 C SER A 98 9.450 16.586 -10.695 1.00 0.00 C ATOM 1562 O SER A 98 10.215 16.079 -9.875 1.00 0.00 O ATOM 1563 CB SER A 98 8.421 14.682 -12.004 1.00 0.00 C ATOM 1564 OG SER A 98 7.226 13.951 -12.189 1.00 0.00 O ATOM 0 H SER A 98 6.856 16.343 -12.602 1.00 0.00 H new ATOM 0 HA SER A 98 7.747 15.513 -10.094 1.00 0.00 H new ATOM 0 HB2 SER A 98 8.788 15.053 -12.961 1.00 0.00 H new ATOM 0 HB3 SER A 98 9.198 14.038 -11.593 1.00 0.00 H new ATOM 0 HG SER A 98 6.874 14.121 -13.088 1.00 0.00 H new ATOM 1570 N ASP A 99 9.701 17.771 -11.264 1.00 0.00 N ATOM 1571 CA ASP A 99 10.904 18.579 -11.032 1.00 0.00 C ATOM 1572 C ASP A 99 10.506 19.943 -10.445 1.00 0.00 C ATOM 1573 O ASP A 99 11.340 20.836 -10.351 1.00 0.00 O ATOM 1574 CB ASP A 99 11.719 18.733 -12.341 1.00 0.00 C ATOM 1575 CG ASP A 99 12.820 17.683 -12.581 1.00 0.00 C ATOM 1576 OD1 ASP A 99 12.830 16.606 -11.948 1.00 0.00 O ATOM 1577 OD2 ASP A 99 13.654 17.928 -13.488 1.00 0.00 O ATOM 0 H ASP A 99 9.052 18.208 -11.919 1.00 0.00 H new ATOM 0 HA ASP A 99 11.546 18.073 -10.311 1.00 0.00 H new ATOM 0 HB2 ASP A 99 11.026 18.702 -13.182 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.180 19.721 -12.344 1.00 0.00 H new ATOM 1582 N ILE A 100 9.253 20.138 -10.026 1.00 0.00 N ATOM 1583 CA ILE A 100 8.762 21.389 -9.454 1.00 0.00 C ATOM 1584 C ILE A 100 8.384 21.137 -8.003 1.00 0.00 C ATOM 1585 O ILE A 100 7.935 20.055 -7.618 1.00 0.00 O ATOM 1586 CB ILE A 100 7.600 21.946 -10.314 1.00 0.00 C ATOM 1587 CG1 ILE A 100 8.192 22.714 -11.512 1.00 0.00 C ATOM 1588 CG2 ILE A 100 6.548 22.804 -9.577 1.00 0.00 C ATOM 1589 CD1 ILE A 100 8.547 24.182 -11.275 1.00 0.00 C ATOM 0 H ILE A 100 8.538 19.413 -10.077 1.00 0.00 H new ATOM 0 HA ILE A 100 9.533 22.160 -9.463 1.00 0.00 H new ATOM 0 HB ILE A 100 7.031 21.074 -10.634 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.093 22.194 -11.839 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.479 22.664 -12.335 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.788 23.135 -10.285 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.079 22.210 -8.792 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.033 23.673 -9.134 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.953 24.611 -12.191 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.651 24.731 -10.984 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.290 24.253 -10.481 1.00 0.00 H new ATOM 1601 N GLU A 101 8.546 22.188 -7.213 1.00 0.00 N ATOM 1602 CA GLU A 101 8.138 22.238 -5.820 1.00 0.00 C ATOM 1603 C GLU A 101 7.548 23.627 -5.591 1.00 0.00 C ATOM 1604 O GLU A 101 8.234 24.630 -5.796 1.00 0.00 O ATOM 1605 CB GLU A 101 9.357 21.940 -4.934 1.00 0.00 C ATOM 1606 CG GLU A 101 8.976 21.766 -3.459 1.00 0.00 C ATOM 1607 CD GLU A 101 10.202 21.413 -2.600 1.00 0.00 C ATOM 1608 OE1 GLU A 101 10.817 20.344 -2.819 1.00 0.00 O ATOM 1609 OE2 GLU A 101 10.555 22.194 -1.687 1.00 0.00 O ATOM 0 H GLU A 101 8.978 23.054 -7.535 1.00 0.00 H new ATOM 0 HA GLU A 101 7.385 21.492 -5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 101 9.849 21.034 -5.289 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.078 22.752 -5.027 1.00 0.00 H new ATOM 0 HG2 GLU A 101 8.523 22.685 -3.088 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.226 20.980 -3.366 1.00 0.00 H new ATOM 1616 N ALA A 102 6.262 23.706 -5.243 1.00 0.00 N ATOM 1617 CA ALA A 102 5.598 24.989 -5.057 1.00 0.00 C ATOM 1618 C ALA A 102 6.125 25.693 -3.805 1.00 0.00 C ATOM 1619 O ALA A 102 6.590 25.060 -2.853 1.00 0.00 O ATOM 1620 CB ALA A 102 4.084 24.806 -4.953 1.00 0.00 C ATOM 0 H ALA A 102 5.664 22.895 -5.085 1.00 0.00 H new ATOM 0 HA ALA A 102 5.816 25.609 -5.927 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.609 25.777 -4.814 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.709 24.346 -5.867 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.853 24.164 -4.103 1.00 0.00 H new ATOM 1626 N ILE A 103 5.985 27.014 -3.805 1.00 0.00 N ATOM 1627 CA ILE A 103 6.364 27.903 -2.719 1.00 0.00 C ATOM 1628 C ILE A 103 5.103 28.676 -2.319 1.00 0.00 C ATOM 1629 O ILE A 103 4.424 29.254 -3.170 1.00 0.00 O ATOM 1630 CB ILE A 103 7.515 28.831 -3.182 1.00 0.00 C ATOM 1631 CG1 ILE A 103 8.792 28.035 -3.549 1.00 0.00 C ATOM 1632 CG2 ILE A 103 7.855 29.869 -2.096 1.00 0.00 C ATOM 1633 CD1 ILE A 103 9.821 28.865 -4.327 1.00 0.00 C ATOM 0 H ILE A 103 5.586 27.514 -4.599 1.00 0.00 H new ATOM 0 HA ILE A 103 6.740 27.360 -1.852 1.00 0.00 H new ATOM 0 HB ILE A 103 7.162 29.343 -4.077 1.00 0.00 H new ATOM 0 HG12 ILE A 103 9.253 27.660 -2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 103 8.512 27.166 -4.144 1.00 0.00 H new ATOM 0 HG21 ILE A 103 8.666 30.508 -2.445 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.976 30.479 -1.888 1.00 0.00 H new ATOM 0 HG23 ILE A 103 8.164 29.355 -1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 103 10.691 28.248 -4.552 1.00 0.00 H new ATOM 0 HD12 ILE A 103 9.376 29.218 -5.257 1.00 0.00 H new ATOM 0 HD13 ILE A 103 10.129 29.720 -3.725 1.00 0.00 H new ATOM 1645 N ASP A 104 4.832 28.705 -1.009 1.00 0.00 N ATOM 1646 CA ASP A 104 3.779 29.496 -0.361 1.00 0.00 C ATOM 1647 C ASP A 104 2.403 29.362 -1.040 1.00 0.00 C ATOM 1648 O ASP A 104 1.652 30.332 -1.170 1.00 0.00 O ATOM 1649 CB ASP A 104 4.254 30.951 -0.190 1.00 0.00 C ATOM 1650 CG ASP A 104 3.305 31.787 0.690 1.00 0.00 C ATOM 1651 OD1 ASP A 104 2.900 31.321 1.780 1.00 0.00 O ATOM 1652 OD2 ASP A 104 3.010 32.951 0.332 1.00 0.00 O ATOM 0 H ASP A 104 5.367 28.151 -0.340 1.00 0.00 H new ATOM 0 HA ASP A 104 3.608 29.085 0.634 1.00 0.00 H new ATOM 0 HB2 ASP A 104 5.250 30.954 0.253 1.00 0.00 H new ATOM 0 HB3 ASP A 104 4.340 31.419 -1.171 1.00 0.00 H new ATOM 1657 N VAL A 105 2.082 28.155 -1.520 1.00 0.00 N ATOM 1658 CA VAL A 105 0.843 27.882 -2.250 1.00 0.00 C ATOM 1659 C VAL A 105 -0.248 27.369 -1.294 1.00 0.00 C ATOM 1660 O VAL A 105 0.010 27.142 -0.107 1.00 0.00 O ATOM 1661 CB VAL A 105 1.155 26.959 -3.448 1.00 0.00 C ATOM 1662 CG1 VAL A 105 1.289 25.472 -3.090 1.00 0.00 C ATOM 1663 CG2 VAL A 105 0.169 27.189 -4.596 1.00 0.00 C ATOM 0 H VAL A 105 2.680 27.336 -1.411 1.00 0.00 H new ATOM 0 HA VAL A 105 0.426 28.796 -2.673 1.00 0.00 H new ATOM 0 HB VAL A 105 2.150 27.248 -3.787 1.00 0.00 H new ATOM 0 HG11 VAL A 105 1.508 24.899 -3.991 1.00 0.00 H new ATOM 0 HG12 VAL A 105 2.099 25.342 -2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.356 25.118 -2.653 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.414 26.525 -5.425 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.844 26.981 -4.252 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.234 28.225 -4.929 1.00 0.00 H new ATOM 1673 N ASP A 106 -1.478 27.208 -1.799 1.00 0.00 N ATOM 1674 CA ASP A 106 -2.588 26.662 -1.022 1.00 0.00 C ATOM 1675 C ASP A 106 -2.335 25.197 -0.683 1.00 0.00 C ATOM 1676 O ASP A 106 -1.585 24.488 -1.357 1.00 0.00 O ATOM 1677 CB ASP A 106 -3.911 26.763 -1.783 1.00 0.00 C ATOM 1678 CG ASP A 106 -5.125 26.471 -0.888 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -5.536 27.364 -0.113 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -5.623 25.323 -0.907 1.00 0.00 O ATOM 0 H ASP A 106 -1.727 27.454 -2.757 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.657 27.252 -0.108 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.008 27.762 -2.207 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -3.901 26.062 -2.618 1.00 0.00 H new ATOM 1685 N ASP A 107 -3.039 24.730 0.335 1.00 0.00 N ATOM 1686 CA ASP A 107 -2.936 23.372 0.844 1.00 0.00 C ATOM 1687 C ASP A 107 -3.327 22.357 -0.227 1.00 0.00 C ATOM 1688 O ASP A 107 -2.663 21.334 -0.359 1.00 0.00 O ATOM 1689 CB ASP A 107 -3.828 23.209 2.077 1.00 0.00 C ATOM 1690 CG ASP A 107 -3.785 21.767 2.609 1.00 0.00 C ATOM 1691 OD1 ASP A 107 -2.758 21.372 3.207 1.00 0.00 O ATOM 1692 OD2 ASP A 107 -4.800 21.046 2.488 1.00 0.00 O ATOM 0 H ASP A 107 -3.715 25.300 0.843 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.899 23.187 1.124 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -3.503 23.897 2.857 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -4.854 23.476 1.824 1.00 0.00 H new ATOM 1697 N ASP A 108 -4.358 22.641 -1.029 1.00 0.00 N ATOM 1698 CA ASP A 108 -4.865 21.678 -2.004 1.00 0.00 C ATOM 1699 C ASP A 108 -3.920 21.572 -3.207 1.00 0.00 C ATOM 1700 O ASP A 108 -3.708 20.482 -3.740 1.00 0.00 O ATOM 1701 CB ASP A 108 -6.284 22.079 -2.437 1.00 0.00 C ATOM 1702 CG ASP A 108 -7.135 20.910 -2.967 1.00 0.00 C ATOM 1703 OD1 ASP A 108 -6.864 19.731 -2.648 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -8.154 21.184 -3.641 1.00 0.00 O ATOM 0 H ASP A 108 -4.856 23.531 -1.020 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.911 20.692 -1.542 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.797 22.532 -1.588 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.214 22.843 -3.211 1.00 0.00 H new ATOM 1709 N THR A 109 -3.282 22.687 -3.593 1.00 0.00 N ATOM 1710 CA THR A 109 -2.237 22.695 -4.618 1.00 0.00 C ATOM 1711 C THR A 109 -1.044 21.887 -4.099 1.00 0.00 C ATOM 1712 O THR A 109 -0.556 20.988 -4.789 1.00 0.00 O ATOM 1713 CB THR A 109 -1.859 24.156 -4.965 1.00 0.00 C ATOM 1714 OG1 THR A 109 -3.022 24.853 -5.377 1.00 0.00 O ATOM 1715 CG2 THR A 109 -0.871 24.277 -6.125 1.00 0.00 C ATOM 0 H THR A 109 -3.479 23.608 -3.201 1.00 0.00 H new ATOM 0 HA THR A 109 -2.587 22.231 -5.540 1.00 0.00 H new ATOM 0 HB THR A 109 -1.402 24.563 -4.063 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.873 25.818 -5.289 1.00 0.00 H new ATOM 0 HG21 THR A 109 -0.654 25.329 -6.310 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.052 23.755 -5.873 1.00 0.00 H new ATOM 0 HG23 THR A 109 -1.306 23.833 -7.021 1.00 0.00 H new ATOM 1723 N GLN A 110 -0.602 22.157 -2.867 1.00 0.00 N ATOM 1724 CA GLN A 110 0.564 21.504 -2.305 1.00 0.00 C ATOM 1725 C GLN A 110 0.323 20.004 -2.099 1.00 0.00 C ATOM 1726 O GLN A 110 1.246 19.223 -2.321 1.00 0.00 O ATOM 1727 CB GLN A 110 0.969 22.230 -1.014 1.00 0.00 C ATOM 1728 CG GLN A 110 2.294 21.738 -0.420 1.00 0.00 C ATOM 1729 CD GLN A 110 3.474 21.803 -1.392 1.00 0.00 C ATOM 1730 OE1 GLN A 110 4.165 22.812 -1.490 1.00 0.00 O ATOM 1731 NE2 GLN A 110 3.731 20.731 -2.128 1.00 0.00 N ATOM 0 H GLN A 110 -1.045 22.831 -2.242 1.00 0.00 H new ATOM 0 HA GLN A 110 1.396 21.570 -3.006 1.00 0.00 H new ATOM 0 HB2 GLN A 110 1.047 23.298 -1.217 1.00 0.00 H new ATOM 0 HB3 GLN A 110 0.180 22.103 -0.273 1.00 0.00 H new ATOM 0 HG2 GLN A 110 2.529 22.335 0.461 1.00 0.00 H new ATOM 0 HG3 GLN A 110 2.170 20.709 -0.084 1.00 0.00 H new ATOM 0 HE21 GLN A 110 3.149 19.898 -2.037 1.00 0.00 H new ATOM 0 HE22 GLN A 110 4.511 20.739 -2.785 1.00 0.00 H new ATOM 1740 N GLU A 111 -0.888 19.589 -1.723 1.00 0.00 N ATOM 1741 CA GLU A 111 -1.248 18.183 -1.562 1.00 0.00 C ATOM 1742 C GLU A 111 -1.190 17.443 -2.895 1.00 0.00 C ATOM 1743 O GLU A 111 -0.668 16.330 -2.943 1.00 0.00 O ATOM 1744 CB GLU A 111 -2.658 18.066 -0.958 1.00 0.00 C ATOM 1745 CG GLU A 111 -2.661 18.216 0.569 1.00 0.00 C ATOM 1746 CD GLU A 111 -2.378 16.881 1.269 1.00 0.00 C ATOM 1747 OE1 GLU A 111 -1.245 16.355 1.180 1.00 0.00 O ATOM 1748 OE2 GLU A 111 -3.300 16.301 1.883 1.00 0.00 O ATOM 0 H GLU A 111 -1.655 20.230 -1.520 1.00 0.00 H new ATOM 0 HA GLU A 111 -0.526 17.724 -0.887 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.301 18.830 -1.395 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.084 17.099 -1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.910 18.949 0.864 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.627 18.601 0.895 1.00 0.00 H new ATOM 1755 N ALA A 112 -1.689 18.050 -3.977 1.00 0.00 N ATOM 1756 CA ALA A 112 -1.656 17.431 -5.296 1.00 0.00 C ATOM 1757 C ALA A 112 -0.211 17.230 -5.761 1.00 0.00 C ATOM 1758 O ALA A 112 0.132 16.161 -6.267 1.00 0.00 O ATOM 1759 CB ALA A 112 -2.432 18.303 -6.283 1.00 0.00 C ATOM 0 H ALA A 112 -2.121 18.974 -3.959 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.126 16.449 -5.246 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -2.409 17.843 -7.271 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.466 18.397 -5.950 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.975 19.291 -6.333 1.00 0.00 H new ATOM 1765 N ILE A 113 0.641 18.240 -5.561 1.00 0.00 N ATOM 1766 CA ILE A 113 2.061 18.168 -5.895 1.00 0.00 C ATOM 1767 C ILE A 113 2.721 17.074 -5.056 1.00 0.00 C ATOM 1768 O ILE A 113 3.404 16.211 -5.603 1.00 0.00 O ATOM 1769 CB ILE A 113 2.712 19.545 -5.658 1.00 0.00 C ATOM 1770 CG1 ILE A 113 2.151 20.569 -6.664 1.00 0.00 C ATOM 1771 CG2 ILE A 113 4.249 19.488 -5.752 1.00 0.00 C ATOM 1772 CD1 ILE A 113 2.345 22.002 -6.181 1.00 0.00 C ATOM 0 H ILE A 113 0.360 19.135 -5.160 1.00 0.00 H new ATOM 0 HA ILE A 113 2.194 17.912 -6.946 1.00 0.00 H new ATOM 0 HB ILE A 113 2.465 19.856 -4.643 1.00 0.00 H new ATOM 0 HG12 ILE A 113 2.645 20.440 -7.627 1.00 0.00 H new ATOM 0 HG13 ILE A 113 1.089 20.379 -6.822 1.00 0.00 H new ATOM 0 HG21 ILE A 113 4.661 20.482 -5.578 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.634 18.799 -5.001 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.540 19.143 -6.744 1.00 0.00 H new ATOM 0 HD11 ILE A 113 1.936 22.693 -6.918 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.829 22.139 -5.231 1.00 0.00 H new ATOM 0 HD13 ILE A 113 3.409 22.200 -6.048 1.00 0.00 H new ATOM 1784 N ALA A 114 2.516 17.107 -3.738 1.00 0.00 N ATOM 1785 CA ALA A 114 3.124 16.163 -2.815 1.00 0.00 C ATOM 1786 C ALA A 114 2.750 14.733 -3.203 1.00 0.00 C ATOM 1787 O ALA A 114 3.633 13.899 -3.370 1.00 0.00 O ATOM 1788 CB ALA A 114 2.691 16.485 -1.381 1.00 0.00 C ATOM 0 H ALA A 114 1.918 17.797 -3.284 1.00 0.00 H new ATOM 0 HA ALA A 114 4.209 16.250 -2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.150 15.774 -0.694 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.009 17.495 -1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 114 1.606 16.415 -1.304 1.00 0.00 H new ATOM 1794 N ASP A 115 1.461 14.457 -3.418 1.00 0.00 N ATOM 1795 CA ASP A 115 0.993 13.120 -3.772 1.00 0.00 C ATOM 1796 C ASP A 115 1.514 12.669 -5.139 1.00 0.00 C ATOM 1797 O ASP A 115 1.797 11.484 -5.328 1.00 0.00 O ATOM 1798 CB ASP A 115 -0.536 13.059 -3.720 1.00 0.00 C ATOM 1799 CG ASP A 115 -1.067 11.627 -3.890 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -0.453 10.681 -3.343 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -2.140 11.470 -4.509 1.00 0.00 O ATOM 0 H ASP A 115 0.718 15.152 -3.351 1.00 0.00 H new ATOM 0 HA ASP A 115 1.397 12.425 -3.035 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -0.882 13.462 -2.768 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -0.950 13.693 -4.504 1.00 0.00 H new ATOM 1806 N TRP A 116 1.721 13.601 -6.075 1.00 0.00 N ATOM 1807 CA TRP A 116 2.340 13.286 -7.360 1.00 0.00 C ATOM 1808 C TRP A 116 3.814 12.914 -7.166 1.00 0.00 C ATOM 1809 O TRP A 116 4.281 11.925 -7.729 1.00 0.00 O ATOM 1810 CB TRP A 116 2.201 14.452 -8.350 1.00 0.00 C ATOM 1811 CG TRP A 116 2.941 14.215 -9.632 1.00 0.00 C ATOM 1812 CD1 TRP A 116 4.144 14.741 -9.954 1.00 0.00 C ATOM 1813 CD2 TRP A 116 2.622 13.275 -10.705 1.00 0.00 C ATOM 1814 NE1 TRP A 116 4.593 14.182 -11.132 1.00 0.00 N ATOM 1815 CE2 TRP A 116 3.697 13.269 -11.640 1.00 0.00 C ATOM 1816 CE3 TRP A 116 1.558 12.385 -10.958 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 3.714 12.424 -12.759 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 1.546 11.556 -12.095 1.00 0.00 C ATOM 1819 CH2 TRP A 116 2.626 11.568 -12.995 1.00 0.00 C ATOM 0 H TRP A 116 1.467 14.582 -5.963 1.00 0.00 H new ATOM 0 HA TRP A 116 1.816 12.429 -7.783 1.00 0.00 H new ATOM 0 HB2 TRP A 116 1.145 14.613 -8.569 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.573 15.365 -7.884 1.00 0.00 H new ATOM 0 HD1 TRP A 116 4.673 15.485 -9.377 1.00 0.00 H new ATOM 0 HE1 TRP A 116 5.482 14.417 -11.574 1.00 0.00 H new ATOM 0 HE3 TRP A 116 0.733 12.338 -10.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 4.557 12.431 -13.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 0.702 10.907 -12.277 1.00 0.00 H new ATOM 0 HH2 TRP A 116 2.619 10.924 -13.862 1.00 0.00 H new ATOM 1830 N LEU A 117 4.556 13.661 -6.342 1.00 0.00 N ATOM 1831 CA LEU A 117 5.955 13.355 -6.047 1.00 0.00 C ATOM 1832 C LEU A 117 6.058 12.021 -5.304 1.00 0.00 C ATOM 1833 O LEU A 117 6.965 11.233 -5.571 1.00 0.00 O ATOM 1834 CB LEU A 117 6.599 14.495 -5.237 1.00 0.00 C ATOM 1835 CG LEU A 117 6.784 15.805 -6.034 1.00 0.00 C ATOM 1836 CD1 LEU A 117 7.177 16.941 -5.083 1.00 0.00 C ATOM 1837 CD2 LEU A 117 7.847 15.674 -7.133 1.00 0.00 C ATOM 0 H LEU A 117 4.204 14.490 -5.864 1.00 0.00 H new ATOM 0 HA LEU A 117 6.501 13.264 -6.986 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.982 14.698 -4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.571 14.163 -4.872 1.00 0.00 H new ATOM 0 HG LEU A 117 5.832 16.026 -6.517 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.306 17.862 -5.651 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.393 17.080 -4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.112 16.689 -4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.940 16.621 -7.664 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.805 15.415 -6.683 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.552 14.892 -7.833 1.00 0.00 H new ATOM 1849 N TYR A 118 5.107 11.714 -4.419 1.00 0.00 N ATOM 1850 CA TYR A 118 5.027 10.412 -3.774 1.00 0.00 C ATOM 1851 C TYR A 118 4.699 9.327 -4.802 1.00 0.00 C ATOM 1852 O TYR A 118 5.161 8.203 -4.663 1.00 0.00 O ATOM 1853 CB TYR A 118 3.968 10.432 -2.658 1.00 0.00 C ATOM 1854 CG TYR A 118 4.124 11.459 -1.546 1.00 0.00 C ATOM 1855 CD1 TYR A 118 5.380 11.995 -1.191 1.00 0.00 C ATOM 1856 CD2 TYR A 118 2.965 11.916 -0.888 1.00 0.00 C ATOM 1857 CE1 TYR A 118 5.475 12.985 -0.197 1.00 0.00 C ATOM 1858 CE2 TYR A 118 3.047 12.935 0.074 1.00 0.00 C ATOM 1859 CZ TYR A 118 4.306 13.463 0.440 1.00 0.00 C ATOM 1860 OH TYR A 118 4.376 14.434 1.394 1.00 0.00 O ATOM 0 H TYR A 118 4.374 12.363 -4.133 1.00 0.00 H new ATOM 0 HA TYR A 118 5.996 10.185 -3.329 1.00 0.00 H new ATOM 0 HB2 TYR A 118 2.995 10.588 -3.123 1.00 0.00 H new ATOM 0 HB3 TYR A 118 3.947 9.443 -2.199 1.00 0.00 H new ATOM 0 HD1 TYR A 118 6.273 11.643 -1.685 1.00 0.00 H new ATOM 0 HD2 TYR A 118 2.006 11.479 -1.126 1.00 0.00 H new ATOM 0 HE1 TYR A 118 6.441 13.381 0.080 1.00 0.00 H new ATOM 0 HE2 TYR A 118 2.148 13.316 0.535 1.00 0.00 H new ATOM 0 HH TYR A 118 3.475 14.638 1.720 1.00 0.00 H new ATOM 1870 N TRP A 119 3.873 9.596 -5.815 1.00 0.00 N ATOM 1871 CA TRP A 119 3.535 8.635 -6.872 1.00 0.00 C ATOM 1872 C TRP A 119 4.768 8.347 -7.736 1.00 0.00 C ATOM 1873 O TRP A 119 5.060 7.186 -8.031 1.00 0.00 O ATOM 1874 CB TRP A 119 2.331 9.177 -7.664 1.00 0.00 C ATOM 1875 CG TRP A 119 2.155 8.707 -9.072 1.00 0.00 C ATOM 1876 CD1 TRP A 119 2.892 9.138 -10.120 1.00 0.00 C ATOM 1877 CD2 TRP A 119 1.151 7.808 -9.641 1.00 0.00 C ATOM 1878 NE1 TRP A 119 2.453 8.539 -11.274 1.00 0.00 N ATOM 1879 CE2 TRP A 119 1.364 7.739 -11.048 1.00 0.00 C ATOM 1880 CE3 TRP A 119 0.065 7.063 -9.133 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 0.563 6.971 -11.896 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 -0.806 6.363 -9.992 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -0.558 6.311 -11.375 1.00 0.00 C ATOM 0 H TRP A 119 3.413 10.499 -5.928 1.00 0.00 H new ATOM 0 HA TRP A 119 3.238 7.674 -6.452 1.00 0.00 H new ATOM 0 HB2 TRP A 119 1.426 8.926 -7.111 1.00 0.00 H new ATOM 0 HB3 TRP A 119 2.403 10.265 -7.680 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.704 9.847 -10.058 1.00 0.00 H new ATOM 0 HE1 TRP A 119 2.885 8.673 -12.188 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -0.102 7.029 -8.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 0.806 6.886 -12.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -1.672 5.862 -9.584 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -1.224 5.768 -12.029 1.00 0.00 H new ATOM 1894 N LEU A 120 5.542 9.384 -8.065 1.00 0.00 N ATOM 1895 CA LEU A 120 6.822 9.265 -8.751 1.00 0.00 C ATOM 1896 C LEU A 120 7.758 8.361 -7.948 1.00 0.00 C ATOM 1897 O LEU A 120 8.286 7.392 -8.491 1.00 0.00 O ATOM 1898 CB LEU A 120 7.392 10.680 -8.949 1.00 0.00 C ATOM 1899 CG LEU A 120 8.810 10.756 -9.544 1.00 0.00 C ATOM 1900 CD1 LEU A 120 8.839 10.324 -11.013 1.00 0.00 C ATOM 1901 CD2 LEU A 120 9.299 12.201 -9.413 1.00 0.00 C ATOM 0 H LEU A 120 5.287 10.349 -7.855 1.00 0.00 H new ATOM 0 HA LEU A 120 6.704 8.802 -9.731 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.716 11.236 -9.599 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.396 11.188 -7.984 1.00 0.00 H new ATOM 0 HG LEU A 120 9.461 10.072 -9.000 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.858 10.393 -11.392 1.00 0.00 H new ATOM 0 HD12 LEU A 120 8.490 9.295 -11.097 1.00 0.00 H new ATOM 0 HD13 LEU A 120 8.190 10.976 -11.597 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.304 12.284 -9.828 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.626 12.864 -9.957 1.00 0.00 H new ATOM 0 HD23 LEU A 120 9.316 12.485 -8.361 1.00 0.00 H new ATOM 1913 N ALA A 121 7.909 8.628 -6.647 1.00 0.00 N ATOM 1914 CA ALA A 121 8.750 7.829 -5.762 1.00 0.00 C ATOM 1915 C ALA A 121 8.208 6.404 -5.550 1.00 0.00 C ATOM 1916 O ALA A 121 8.996 5.484 -5.325 1.00 0.00 O ATOM 1917 CB ALA A 121 8.903 8.566 -4.429 1.00 0.00 C ATOM 0 H ALA A 121 7.448 9.409 -6.180 1.00 0.00 H new ATOM 0 HA ALA A 121 9.725 7.708 -6.235 1.00 0.00 H new ATOM 0 HB1 ALA A 121 9.530 7.978 -3.758 1.00 0.00 H new ATOM 0 HB2 ALA A 121 9.367 9.537 -4.601 1.00 0.00 H new ATOM 0 HB3 ALA A 121 7.921 8.708 -3.977 1.00 0.00 H new ATOM 1923 N ARG A 122 6.887 6.192 -5.633 1.00 0.00 N ATOM 1924 CA ARG A 122 6.271 4.860 -5.529 1.00 0.00 C ATOM 1925 C ARG A 122 6.509 4.031 -6.787 1.00 0.00 C ATOM 1926 O ARG A 122 6.353 2.811 -6.721 1.00 0.00 O ATOM 1927 CB ARG A 122 4.758 4.969 -5.242 1.00 0.00 C ATOM 1928 CG ARG A 122 4.469 5.173 -3.749 1.00 0.00 C ATOM 1929 CD ARG A 122 3.011 5.533 -3.431 1.00 0.00 C ATOM 1930 NE ARG A 122 2.684 6.898 -3.880 1.00 0.00 N ATOM 1931 CZ ARG A 122 1.524 7.542 -3.677 1.00 0.00 C ATOM 1932 NH1 ARG A 122 0.502 6.945 -3.084 1.00 0.00 N ATOM 1933 NH2 ARG A 122 1.374 8.802 -4.068 1.00 0.00 N ATOM 0 H ARG A 122 6.212 6.943 -5.775 1.00 0.00 H new ATOM 0 HA ARG A 122 6.749 4.350 -4.692 1.00 0.00 H new ATOM 0 HB2 ARG A 122 4.341 5.801 -5.809 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.257 4.065 -5.588 1.00 0.00 H new ATOM 0 HG2 ARG A 122 4.731 4.261 -3.212 1.00 0.00 H new ATOM 0 HG3 ARG A 122 5.117 5.963 -3.370 1.00 0.00 H new ATOM 0 HD2 ARG A 122 2.344 4.820 -3.916 1.00 0.00 H new ATOM 0 HD3 ARG A 122 2.840 5.451 -2.358 1.00 0.00 H new ATOM 0 HE ARG A 122 3.408 7.401 -4.394 1.00 0.00 H new ATOM 0 HH11 ARG A 122 0.588 5.978 -2.772 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -0.371 7.452 -2.939 1.00 0.00 H new ATOM 0 HH21 ARG A 122 2.144 9.289 -4.527 1.00 0.00 H new ATOM 0 HH22 ARG A 122 0.489 9.283 -3.909 1.00 0.00 H new ATOM 1947 N GLY A 123 6.881 4.652 -7.907 1.00 0.00 N ATOM 1948 CA GLY A 123 7.073 3.950 -9.163 1.00 0.00 C ATOM 1949 C GLY A 123 5.753 3.775 -9.915 1.00 0.00 C ATOM 1950 O GLY A 123 5.594 2.762 -10.599 1.00 0.00 O ATOM 0 H GLY A 123 7.056 5.655 -7.962 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.777 4.502 -9.786 1.00 0.00 H new ATOM 0 HA3 GLY A 123 7.516 2.973 -8.971 1.00 0.00 H new ATOM 1954 N TYR A 124 4.848 4.765 -9.817 1.00 0.00 N ATOM 1955 CA TYR A 124 3.619 4.915 -10.598 1.00 0.00 C ATOM 1956 C TYR A 124 2.621 3.746 -10.446 1.00 0.00 C ATOM 1957 O TYR A 124 2.859 2.770 -9.730 1.00 0.00 O ATOM 1958 CB TYR A 124 4.016 5.133 -12.073 1.00 0.00 C ATOM 1959 CG TYR A 124 4.366 6.529 -12.552 1.00 0.00 C ATOM 1960 CD1 TYR A 124 5.301 7.334 -11.872 1.00 0.00 C ATOM 1961 CD2 TYR A 124 3.795 6.992 -13.754 1.00 0.00 C ATOM 1962 CE1 TYR A 124 5.681 8.578 -12.407 1.00 0.00 C ATOM 1963 CE2 TYR A 124 4.189 8.221 -14.301 1.00 0.00 C ATOM 1964 CZ TYR A 124 5.167 9.001 -13.654 1.00 0.00 C ATOM 1965 OH TYR A 124 5.640 10.127 -14.252 1.00 0.00 O ATOM 0 H TYR A 124 4.968 5.525 -9.148 1.00 0.00 H new ATOM 0 HA TYR A 124 3.078 5.777 -10.209 1.00 0.00 H new ATOM 0 HB2 TYR A 124 4.873 4.492 -12.279 1.00 0.00 H new ATOM 0 HB3 TYR A 124 3.193 4.772 -12.690 1.00 0.00 H new ATOM 0 HD1 TYR A 124 5.726 6.996 -10.939 1.00 0.00 H new ATOM 0 HD2 TYR A 124 3.048 6.396 -14.257 1.00 0.00 H new ATOM 0 HE1 TYR A 124 6.367 9.211 -11.864 1.00 0.00 H new ATOM 0 HE2 TYR A 124 3.742 8.570 -15.220 1.00 0.00 H new ATOM 0 HH TYR A 124 5.439 10.097 -15.211 1.00 0.00 H new ATOM 1975 N LYS A 125 1.476 3.859 -11.137 1.00 0.00 N ATOM 1976 CA LYS A 125 0.480 2.785 -11.331 1.00 0.00 C ATOM 1977 C LYS A 125 0.105 2.663 -12.817 1.00 0.00 C ATOM 1978 O LYS A 125 -0.823 1.927 -13.168 1.00 0.00 O ATOM 1979 CB LYS A 125 -0.788 2.972 -10.474 1.00 0.00 C ATOM 1980 CG LYS A 125 -0.561 3.274 -8.987 1.00 0.00 C ATOM 1981 CD LYS A 125 -0.212 2.044 -8.140 1.00 0.00 C ATOM 1982 CE LYS A 125 -0.215 2.456 -6.660 1.00 0.00 C ATOM 1983 NZ LYS A 125 -0.044 1.307 -5.741 1.00 0.00 N ATOM 0 H LYS A 125 1.205 4.730 -11.594 1.00 0.00 H new ATOM 0 HA LYS A 125 0.951 1.861 -10.995 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.375 3.784 -10.903 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -1.391 2.067 -10.552 1.00 0.00 H new ATOM 0 HG2 LYS A 125 0.243 4.004 -8.895 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.460 3.737 -8.581 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -0.935 1.247 -8.313 1.00 0.00 H new ATOM 0 HD3 LYS A 125 0.766 1.654 -8.423 1.00 0.00 H new ATOM 0 HE2 LYS A 125 0.585 3.175 -6.487 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -1.153 2.962 -6.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -0.189 1.622 -4.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -0.739 0.570 -5.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 0.917 0.921 -5.842 1.00 0.00 H new ATOM 1997 N PHE A 126 0.792 3.399 -13.693 1.00 0.00 N ATOM 1998 CA PHE A 126 0.725 3.245 -15.144 1.00 0.00 C ATOM 1999 C PHE A 126 2.149 3.223 -15.705 1.00 0.00 C ATOM 2000 O PHE A 126 3.063 3.757 -15.044 1.00 0.00 O ATOM 2001 CB PHE A 126 -0.178 4.299 -15.809 1.00 0.00 C ATOM 2002 CG PHE A 126 0.327 5.729 -15.936 1.00 0.00 C ATOM 2003 CD1 PHE A 126 1.318 6.056 -16.880 1.00 0.00 C ATOM 2004 CD2 PHE A 126 -0.265 6.758 -15.179 1.00 0.00 C ATOM 2005 CE1 PHE A 126 1.744 7.387 -17.030 1.00 0.00 C ATOM 2006 CE2 PHE A 126 0.172 8.088 -15.316 1.00 0.00 C ATOM 2007 CZ PHE A 126 1.176 8.405 -16.246 1.00 0.00 C ATOM 2008 OXT PHE A 126 2.359 2.626 -16.780 1.00 0.00 O ATOM 0 H PHE A 126 1.429 4.140 -13.401 1.00 0.00 H new ATOM 0 HA PHE A 126 0.248 2.294 -15.383 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -0.415 3.944 -16.812 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -1.114 4.329 -15.252 1.00 0.00 H new ATOM 0 HD1 PHE A 126 1.753 5.280 -17.492 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -1.061 6.524 -14.488 1.00 0.00 H new ATOM 0 HE1 PHE A 126 2.511 7.628 -17.751 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -0.264 8.865 -14.706 1.00 0.00 H new ATOM 0 HZ PHE A 126 1.510 9.426 -16.358 1.00 0.00 H new TER 2018 PHE A 126