USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=32 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+ 153:sc= 1.18 (180deg=0) USER MOD Set 1.2: A 62 THR OG1 : rot 170:sc= 1 USER MOD Set 2.1: A 52 SER OG : rot -158:sc= 0.893 USER MOD Set 2.2: A 96 LYS NZ :NH3+ 161:sc= 1.86 (180deg=0.937) USER MOD Set 3.1: A 1 MET CE :methyl 178:sc= 0 (180deg=-0.00378) USER MOD Set 3.2: A 3 SER OG : rot 70:sc= 1.17 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HE2:sc= 1.24 K(o=1.2,f=-5.4!) USER MOD Single : A 16 THR OG1 : rot -84:sc= 1.58 USER MOD Single : A 25 LYS NZ :NH3+ 174:sc= 1.27 (180deg=1.19) USER MOD Single : A 30 MET CE :methyl 147:sc= -0.359 (180deg=-0.938) USER MOD Single : A 33 TYR OH : rot 20:sc= 1.2 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 89:sc= 1.31 USER MOD Single : A 45 MET CE :methyl -168:sc= -0.162 (180deg=-0.353) USER MOD Single : A 49 LYS NZ :NH3+ -178:sc= 1.31 (180deg=1.24) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -158:sc= 1.3 (180deg=1.17) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0566 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 40:sc= 0.0392 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -178:sc= 0 (180deg=-0.00563) USER MOD Single : A 74 CYS SG : rot 83:sc= 0.303 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 169:sc= -0.18 (180deg=-0.204) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0022) USER MOD Single : A 93 TYR OH : rot 30:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 149:sc= 1.85 USER MOD Single : A 109 THR OG1 : rot 98:sc= 1.98 USER MOD Single : A 110 GLN : amide:sc= -0.653 X(o=-0.65,f=-0.35) USER MOD Single : A 118 TYR OH : rot 172:sc= 0.728 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.837 -2.125 1.744 1.00 0.00 N ATOM 2 CA MET A 1 7.387 -1.817 1.742 1.00 0.00 C ATOM 3 C MET A 1 7.184 -0.335 1.419 1.00 0.00 C ATOM 4 O MET A 1 7.735 0.527 2.111 1.00 0.00 O ATOM 5 CB MET A 1 6.731 -2.188 3.090 1.00 0.00 C ATOM 6 CG MET A 1 5.203 -2.023 3.068 1.00 0.00 C ATOM 7 SD MET A 1 4.354 -2.465 4.613 1.00 0.00 S ATOM 8 CE MET A 1 4.812 -1.053 5.658 1.00 0.00 C ATOM 0 H1 MET A 1 8.978 -3.132 1.963 1.00 0.00 H new ATOM 0 H2 MET A 1 9.238 -1.915 0.807 1.00 0.00 H new ATOM 0 H3 MET A 1 9.314 -1.544 2.463 1.00 0.00 H new ATOM 0 HA MET A 1 6.900 -2.419 0.975 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.978 -3.220 3.338 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.149 -1.562 3.878 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.969 -0.986 2.828 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.799 -2.636 2.262 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.339 -1.154 6.635 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.895 -1.027 5.780 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.478 -0.128 5.187 1.00 0.00 H new ATOM 20 N ALA A 2 6.390 -0.020 0.387 1.00 0.00 N ATOM 21 CA ALA A 2 6.022 1.354 0.050 1.00 0.00 C ATOM 22 C ALA A 2 5.358 2.014 1.268 1.00 0.00 C ATOM 23 O ALA A 2 4.325 1.542 1.746 1.00 0.00 O ATOM 24 CB ALA A 2 5.093 1.362 -1.167 1.00 0.00 C ATOM 0 H ALA A 2 5.985 -0.717 -0.238 1.00 0.00 H new ATOM 0 HA ALA A 2 6.913 1.926 -0.209 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.823 2.389 -1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.603 0.908 -2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.191 0.794 -0.940 1.00 0.00 H new ATOM 30 N SER A 3 5.973 3.086 1.774 1.00 0.00 N ATOM 31 CA SER A 3 5.608 3.747 3.029 1.00 0.00 C ATOM 32 C SER A 3 5.759 5.271 2.877 1.00 0.00 C ATOM 33 O SER A 3 6.153 5.968 3.814 1.00 0.00 O ATOM 34 CB SER A 3 6.486 3.191 4.167 1.00 0.00 C ATOM 35 OG SER A 3 6.457 1.774 4.231 1.00 0.00 O ATOM 0 H SER A 3 6.763 3.531 1.307 1.00 0.00 H new ATOM 0 HA SER A 3 4.566 3.545 3.276 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.514 3.524 4.025 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.146 3.602 5.118 1.00 0.00 H new ATOM 0 HG SER A 3 6.923 1.402 3.454 1.00 0.00 H new ATOM 41 N VAL A 4 5.519 5.782 1.663 1.00 0.00 N ATOM 42 CA VAL A 4 5.817 7.157 1.277 1.00 0.00 C ATOM 43 C VAL A 4 5.046 8.194 2.107 1.00 0.00 C ATOM 44 O VAL A 4 5.583 9.268 2.383 1.00 0.00 O ATOM 45 CB VAL A 4 5.602 7.315 -0.242 1.00 0.00 C ATOM 46 CG1 VAL A 4 6.643 6.492 -1.014 1.00 0.00 C ATOM 47 CG2 VAL A 4 4.195 6.933 -0.733 1.00 0.00 C ATOM 0 H VAL A 4 5.103 5.235 0.909 1.00 0.00 H new ATOM 0 HA VAL A 4 6.864 7.361 1.500 1.00 0.00 H new ATOM 0 HB VAL A 4 5.719 8.381 -0.438 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.480 6.612 -2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.644 6.839 -0.758 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.545 5.440 -0.748 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.135 7.075 -1.812 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.997 5.888 -0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.454 7.564 -0.242 1.00 0.00 H new ATOM 57 N GLU A 5 3.830 7.864 2.553 1.00 0.00 N ATOM 58 CA GLU A 5 3.055 8.649 3.510 1.00 0.00 C ATOM 59 C GLU A 5 2.021 7.692 4.139 1.00 0.00 C ATOM 60 O GLU A 5 2.391 6.591 4.551 1.00 0.00 O ATOM 61 CB GLU A 5 2.436 9.884 2.819 1.00 0.00 C ATOM 62 CG GLU A 5 1.984 10.938 3.845 1.00 0.00 C ATOM 63 CD GLU A 5 0.687 11.628 3.419 1.00 0.00 C ATOM 64 OE1 GLU A 5 -0.393 11.018 3.584 1.00 0.00 O ATOM 65 OE2 GLU A 5 0.715 12.781 2.935 1.00 0.00 O ATOM 0 H GLU A 5 3.347 7.019 2.248 1.00 0.00 H new ATOM 0 HA GLU A 5 3.675 9.060 4.307 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.165 10.326 2.140 1.00 0.00 H new ATOM 0 HB3 GLU A 5 1.584 9.575 2.214 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.841 10.462 4.815 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.769 11.684 3.969 1.00 0.00 H new ATOM 72 N ARG A 6 0.724 8.034 4.136 1.00 0.00 N ATOM 73 CA ARG A 6 -0.419 7.180 4.492 1.00 0.00 C ATOM 74 C ARG A 6 -0.714 6.248 3.312 1.00 0.00 C ATOM 75 O ARG A 6 -1.849 6.133 2.857 1.00 0.00 O ATOM 76 CB ARG A 6 -1.639 8.061 4.825 1.00 0.00 C ATOM 77 CG ARG A 6 -1.413 9.013 6.008 1.00 0.00 C ATOM 78 CD ARG A 6 -2.604 9.972 6.116 1.00 0.00 C ATOM 79 NE ARG A 6 -2.395 10.997 7.152 1.00 0.00 N ATOM 80 CZ ARG A 6 -1.785 12.177 6.979 1.00 0.00 C ATOM 81 NH1 ARG A 6 -1.211 12.491 5.820 1.00 0.00 N ATOM 82 NH2 ARG A 6 -1.751 13.049 7.982 1.00 0.00 N ATOM 0 H ARG A 6 0.427 8.972 3.868 1.00 0.00 H new ATOM 0 HA ARG A 6 -0.190 6.579 5.372 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -1.903 8.647 3.945 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.490 7.417 5.046 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.303 8.445 6.932 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -0.490 9.575 5.867 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.767 10.457 5.154 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.507 9.405 6.344 1.00 0.00 H new ATOM 0 HE ARG A 6 -2.747 10.790 8.087 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.231 11.828 5.045 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.751 13.394 5.707 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.187 12.817 8.874 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.289 13.950 7.859 1.00 0.00 H new ATOM 96 N ASP A 7 0.357 5.673 2.777 1.00 0.00 N ATOM 97 CA ASP A 7 0.488 4.909 1.538 1.00 0.00 C ATOM 98 C ASP A 7 -0.781 4.217 1.058 1.00 0.00 C ATOM 99 O ASP A 7 -1.236 4.473 -0.055 1.00 0.00 O ATOM 100 CB ASP A 7 1.629 3.896 1.673 1.00 0.00 C ATOM 101 CG ASP A 7 1.779 3.101 0.369 1.00 0.00 C ATOM 102 OD1 ASP A 7 2.399 3.644 -0.569 1.00 0.00 O ATOM 103 OD2 ASP A 7 1.259 1.968 0.269 1.00 0.00 O ATOM 0 H ASP A 7 1.256 5.737 3.254 1.00 0.00 H new ATOM 0 HA ASP A 7 0.709 5.646 0.766 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.561 4.413 1.903 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.428 3.217 2.502 1.00 0.00 H new ATOM 108 N GLU A 8 -1.371 3.367 1.892 1.00 0.00 N ATOM 109 CA GLU A 8 -2.495 2.543 1.460 1.00 0.00 C ATOM 110 C GLU A 8 -3.803 3.336 1.376 1.00 0.00 C ATOM 111 O GLU A 8 -4.614 3.096 0.481 1.00 0.00 O ATOM 112 CB GLU A 8 -2.618 1.273 2.311 1.00 0.00 C ATOM 113 CG GLU A 8 -2.968 1.523 3.787 1.00 0.00 C ATOM 114 CD GLU A 8 -3.024 0.206 4.582 1.00 0.00 C ATOM 115 OE1 GLU A 8 -4.092 -0.448 4.616 1.00 0.00 O ATOM 116 OE2 GLU A 8 -2.007 -0.182 5.201 1.00 0.00 O ATOM 0 H GLU A 8 -1.093 3.231 2.864 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.285 2.217 0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.383 0.631 1.874 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.676 0.726 2.262 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.226 2.186 4.231 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.930 2.031 3.853 1.00 0.00 H new ATOM 123 N THR A 9 -3.988 4.330 2.247 1.00 0.00 N ATOM 124 CA THR A 9 -5.103 5.261 2.126 1.00 0.00 C ATOM 125 C THR A 9 -4.886 6.137 0.887 1.00 0.00 C ATOM 126 O THR A 9 -5.840 6.428 0.164 1.00 0.00 O ATOM 127 CB THR A 9 -5.230 6.092 3.414 1.00 0.00 C ATOM 128 OG1 THR A 9 -5.354 5.241 4.542 1.00 0.00 O ATOM 129 CG2 THR A 9 -6.451 7.019 3.405 1.00 0.00 C ATOM 0 H THR A 9 -3.377 4.508 3.044 1.00 0.00 H new ATOM 0 HA THR A 9 -6.042 4.722 1.998 1.00 0.00 H new ATOM 0 HB THR A 9 -4.325 6.697 3.468 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.432 5.784 5.354 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.489 7.580 4.339 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.375 7.713 2.568 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.359 6.424 3.302 1.00 0.00 H new ATOM 137 N ARG A 10 -3.638 6.529 0.601 1.00 0.00 N ATOM 138 CA ARG A 10 -3.350 7.408 -0.527 1.00 0.00 C ATOM 139 C ARG A 10 -3.603 6.666 -1.827 1.00 0.00 C ATOM 140 O ARG A 10 -4.313 7.195 -2.676 1.00 0.00 O ATOM 141 CB ARG A 10 -1.913 7.956 -0.464 1.00 0.00 C ATOM 142 CG ARG A 10 -1.690 8.990 0.652 1.00 0.00 C ATOM 143 CD ARG A 10 -2.509 10.274 0.439 1.00 0.00 C ATOM 144 NE ARG A 10 -2.088 11.354 1.347 1.00 0.00 N ATOM 145 CZ ARG A 10 -2.391 12.652 1.219 1.00 0.00 C ATOM 146 NH1 ARG A 10 -3.321 13.065 0.361 1.00 0.00 N ATOM 147 NH2 ARG A 10 -1.753 13.547 1.959 1.00 0.00 N ATOM 0 H ARG A 10 -2.817 6.249 1.137 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.017 8.269 -0.478 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.223 7.124 -0.319 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.666 8.412 -1.423 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.958 8.547 1.611 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.631 9.243 0.702 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.401 10.606 -0.594 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.566 10.060 0.596 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.513 11.089 2.147 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.819 12.387 -0.216 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.535 14.059 0.280 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.037 13.245 2.620 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.978 14.538 1.868 1.00 0.00 H new ATOM 161 N GLU A 11 -3.097 5.442 -1.985 1.00 0.00 N ATOM 162 CA GLU A 11 -3.305 4.692 -3.218 1.00 0.00 C ATOM 163 C GLU A 11 -4.789 4.364 -3.408 1.00 0.00 C ATOM 164 O GLU A 11 -5.279 4.412 -4.534 1.00 0.00 O ATOM 165 CB GLU A 11 -2.377 3.470 -3.303 1.00 0.00 C ATOM 166 CG GLU A 11 -2.846 2.227 -2.539 1.00 0.00 C ATOM 167 CD GLU A 11 -1.858 1.046 -2.630 1.00 0.00 C ATOM 168 OE1 GLU A 11 -0.835 1.135 -3.350 1.00 0.00 O ATOM 169 OE2 GLU A 11 -2.113 0.005 -1.983 1.00 0.00 O ATOM 0 H GLU A 11 -2.545 4.955 -1.279 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.023 5.320 -4.063 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.252 3.204 -4.353 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.394 3.756 -2.928 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.994 2.488 -1.491 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.814 1.913 -2.929 1.00 0.00 H new ATOM 176 N HIS A 12 -5.529 4.106 -2.323 1.00 0.00 N ATOM 177 CA HIS A 12 -6.969 3.894 -2.400 1.00 0.00 C ATOM 178 C HIS A 12 -7.699 5.177 -2.821 1.00 0.00 C ATOM 179 O HIS A 12 -8.634 5.114 -3.619 1.00 0.00 O ATOM 180 CB HIS A 12 -7.492 3.355 -1.062 1.00 0.00 C ATOM 181 CG HIS A 12 -8.978 3.090 -1.054 1.00 0.00 C ATOM 182 ND1 HIS A 12 -9.721 2.477 -2.041 1.00 0.00 N ATOM 183 CD2 HIS A 12 -9.849 3.454 -0.063 1.00 0.00 C ATOM 184 CE1 HIS A 12 -11.008 2.489 -1.658 1.00 0.00 C ATOM 185 NE2 HIS A 12 -11.144 3.093 -0.460 1.00 0.00 N ATOM 0 H HIS A 12 -5.147 4.040 -1.380 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.172 3.149 -3.169 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -6.966 2.431 -0.822 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.255 4.071 -0.275 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -9.357 2.084 -2.909 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.584 3.937 0.866 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.823 2.072 -2.231 1.00 0.00 H new ATOM 193 N ARG A 13 -7.296 6.360 -2.343 1.00 0.00 N ATOM 194 CA ARG A 13 -7.925 7.611 -2.779 1.00 0.00 C ATOM 195 C ARG A 13 -7.515 7.974 -4.200 1.00 0.00 C ATOM 196 O ARG A 13 -8.354 8.473 -4.942 1.00 0.00 O ATOM 197 CB ARG A 13 -7.681 8.745 -1.771 1.00 0.00 C ATOM 198 CG ARG A 13 -8.499 8.529 -0.484 1.00 0.00 C ATOM 199 CD ARG A 13 -10.015 8.738 -0.673 1.00 0.00 C ATOM 200 NE ARG A 13 -10.779 8.051 0.385 1.00 0.00 N ATOM 201 CZ ARG A 13 -11.271 6.804 0.326 1.00 0.00 C ATOM 202 NH1 ARG A 13 -11.291 6.111 -0.811 1.00 0.00 N ATOM 203 NH2 ARG A 13 -11.741 6.232 1.430 1.00 0.00 N ATOM 0 H ARG A 13 -6.546 6.477 -1.662 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.004 7.456 -2.804 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.620 8.796 -1.527 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.951 9.700 -2.221 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.323 7.518 -0.117 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.139 9.214 0.284 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.243 9.804 -0.658 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.319 8.361 -1.649 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.950 8.574 1.244 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.926 6.526 -1.668 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.671 5.165 -0.825 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.726 6.741 2.314 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.117 5.284 1.393 1.00 0.00 H new ATOM 217 N ILE A 14 -6.295 7.661 -4.630 1.00 0.00 N ATOM 218 CA ILE A 14 -5.902 7.773 -6.032 1.00 0.00 C ATOM 219 C ILE A 14 -6.869 6.913 -6.855 1.00 0.00 C ATOM 220 O ILE A 14 -7.491 7.403 -7.800 1.00 0.00 O ATOM 221 CB ILE A 14 -4.413 7.370 -6.175 1.00 0.00 C ATOM 222 CG1 ILE A 14 -3.512 8.502 -5.629 1.00 0.00 C ATOM 223 CG2 ILE A 14 -4.035 7.015 -7.625 1.00 0.00 C ATOM 224 CD1 ILE A 14 -2.122 8.039 -5.180 1.00 0.00 C ATOM 0 H ILE A 14 -5.553 7.323 -4.018 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.972 8.794 -6.408 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.255 6.466 -5.586 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.397 9.263 -6.401 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.014 8.976 -4.786 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.981 6.740 -7.669 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.643 6.177 -7.965 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.212 7.877 -8.269 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.555 8.894 -4.811 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.224 7.301 -4.385 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.597 7.593 -6.024 1.00 0.00 H new ATOM 236 N GLU A 15 -7.047 5.654 -6.454 1.00 0.00 N ATOM 237 CA GLU A 15 -7.896 4.682 -7.127 1.00 0.00 C ATOM 238 C GLU A 15 -9.355 5.157 -7.232 1.00 0.00 C ATOM 239 O GLU A 15 -10.012 4.853 -8.227 1.00 0.00 O ATOM 240 CB GLU A 15 -7.768 3.350 -6.362 1.00 0.00 C ATOM 241 CG GLU A 15 -8.821 2.274 -6.660 1.00 0.00 C ATOM 242 CD GLU A 15 -8.672 1.087 -5.690 1.00 0.00 C ATOM 243 OE1 GLU A 15 -9.004 1.233 -4.490 1.00 0.00 O ATOM 244 OE2 GLU A 15 -8.239 -0.005 -6.126 1.00 0.00 O ATOM 0 H GLU A 15 -6.588 5.275 -5.626 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.569 4.552 -8.159 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.785 2.930 -6.574 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.798 3.568 -5.294 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.820 2.701 -6.571 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.713 1.927 -7.688 1.00 0.00 H new ATOM 251 N THR A 16 -9.860 5.905 -6.244 1.00 0.00 N ATOM 252 CA THR A 16 -11.285 6.229 -6.133 1.00 0.00 C ATOM 253 C THR A 16 -11.614 7.689 -6.481 1.00 0.00 C ATOM 254 O THR A 16 -12.789 8.009 -6.667 1.00 0.00 O ATOM 255 CB THR A 16 -11.814 5.816 -4.744 1.00 0.00 C ATOM 256 OG1 THR A 16 -10.995 6.290 -3.689 1.00 0.00 O ATOM 257 CG2 THR A 16 -11.897 4.293 -4.609 1.00 0.00 C ATOM 0 H THR A 16 -9.290 6.303 -5.498 1.00 0.00 H new ATOM 0 HA THR A 16 -11.810 5.646 -6.889 1.00 0.00 H new ATOM 0 HB THR A 16 -12.804 6.265 -4.666 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.246 5.673 -3.554 1.00 0.00 H new ATOM 0 HG21 THR A 16 -12.273 4.035 -3.619 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.572 3.897 -5.368 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.905 3.861 -4.744 1.00 0.00 H new ATOM 265 N GLU A 17 -10.612 8.565 -6.632 1.00 0.00 N ATOM 266 CA GLU A 17 -10.830 9.999 -6.849 1.00 0.00 C ATOM 267 C GLU A 17 -9.988 10.563 -8.002 1.00 0.00 C ATOM 268 O GLU A 17 -10.295 11.658 -8.476 1.00 0.00 O ATOM 269 CB GLU A 17 -10.541 10.794 -5.558 1.00 0.00 C ATOM 270 CG GLU A 17 -11.332 10.351 -4.312 1.00 0.00 C ATOM 271 CD GLU A 17 -12.863 10.490 -4.446 1.00 0.00 C ATOM 272 OE1 GLU A 17 -13.357 11.403 -5.147 1.00 0.00 O ATOM 273 OE2 GLU A 17 -13.599 9.725 -3.781 1.00 0.00 O ATOM 0 H GLU A 17 -9.628 8.298 -6.607 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.878 10.112 -7.126 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.476 10.718 -5.336 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.753 11.847 -5.746 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.092 9.310 -4.095 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.999 10.940 -3.457 1.00 0.00 H new ATOM 280 N ILE A 18 -8.959 9.847 -8.482 1.00 0.00 N ATOM 281 CA ILE A 18 -7.992 10.389 -9.445 1.00 0.00 C ATOM 282 C ILE A 18 -7.988 9.536 -10.717 1.00 0.00 C ATOM 283 O ILE A 18 -8.115 10.090 -11.808 1.00 0.00 O ATOM 284 CB ILE A 18 -6.595 10.543 -8.788 1.00 0.00 C ATOM 285 CG1 ILE A 18 -6.710 11.405 -7.503 1.00 0.00 C ATOM 286 CG2 ILE A 18 -5.584 11.147 -9.779 1.00 0.00 C ATOM 287 CD1 ILE A 18 -5.387 11.807 -6.843 1.00 0.00 C ATOM 0 H ILE A 18 -8.776 8.880 -8.214 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.289 11.393 -9.747 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.226 9.556 -8.510 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.262 12.313 -7.747 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.305 10.856 -6.773 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.613 11.245 -9.294 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.492 10.495 -10.648 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.930 12.130 -10.098 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.590 12.406 -5.955 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.836 10.911 -6.558 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.792 12.390 -7.546 1.00 0.00 H new ATOM 299 N ILE A 19 -7.929 8.204 -10.604 1.00 0.00 N ATOM 300 CA ILE A 19 -7.911 7.295 -11.757 1.00 0.00 C ATOM 301 C ILE A 19 -9.158 6.399 -11.805 1.00 0.00 C ATOM 302 O ILE A 19 -9.201 5.439 -12.571 1.00 0.00 O ATOM 303 CB ILE A 19 -6.582 6.530 -11.820 1.00 0.00 C ATOM 304 CG1 ILE A 19 -6.391 5.669 -10.562 1.00 0.00 C ATOM 305 CG2 ILE A 19 -5.418 7.513 -12.059 1.00 0.00 C ATOM 306 CD1 ILE A 19 -5.192 4.752 -10.711 1.00 0.00 C ATOM 0 H ILE A 19 -7.892 7.723 -9.705 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.965 7.888 -12.670 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.598 5.841 -12.664 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.256 6.313 -9.693 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.288 5.076 -10.383 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.479 6.961 -12.102 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.574 8.039 -13.001 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.378 8.234 -11.243 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.078 4.153 -9.808 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.342 4.094 -11.567 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.294 5.350 -10.866 1.00 0.00 H new ATOM 318 N VAL A 20 -10.189 6.717 -11.019 1.00 0.00 N ATOM 319 CA VAL A 20 -11.452 5.979 -10.991 1.00 0.00 C ATOM 320 C VAL A 20 -12.099 5.889 -12.385 1.00 0.00 C ATOM 321 O VAL A 20 -12.708 4.872 -12.721 1.00 0.00 O ATOM 322 CB VAL A 20 -12.365 6.611 -9.918 1.00 0.00 C ATOM 323 CG1 VAL A 20 -12.837 8.036 -10.258 1.00 0.00 C ATOM 324 CG2 VAL A 20 -13.569 5.724 -9.580 1.00 0.00 C ATOM 0 H VAL A 20 -10.169 7.507 -10.374 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.272 4.941 -10.712 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.730 6.690 -9.036 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -13.473 8.410 -9.456 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.971 8.689 -10.369 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -13.401 8.020 -11.191 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -14.179 6.213 -8.821 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -14.166 5.563 -10.478 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -13.219 4.764 -9.201 1.00 0.00 H new ATOM 334 N ASP A 21 -11.941 6.930 -13.213 1.00 0.00 N ATOM 335 CA ASP A 21 -12.510 7.001 -14.562 1.00 0.00 C ATOM 336 C ASP A 21 -11.584 6.371 -15.617 1.00 0.00 C ATOM 337 O ASP A 21 -11.980 6.201 -16.771 1.00 0.00 O ATOM 338 CB ASP A 21 -12.782 8.474 -14.900 1.00 0.00 C ATOM 339 CG ASP A 21 -13.491 8.649 -16.255 1.00 0.00 C ATOM 340 OD1 ASP A 21 -14.646 8.188 -16.404 1.00 0.00 O ATOM 341 OD2 ASP A 21 -12.927 9.307 -17.158 1.00 0.00 O ATOM 0 H ASP A 21 -11.405 7.760 -12.958 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.438 6.429 -14.579 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.394 8.916 -14.114 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.839 9.020 -14.915 1.00 0.00 H new ATOM 346 N ALA A 22 -10.343 6.039 -15.240 1.00 0.00 N ATOM 347 CA ALA A 22 -9.328 5.518 -16.149 1.00 0.00 C ATOM 348 C ALA A 22 -9.546 4.025 -16.447 1.00 0.00 C ATOM 349 O ALA A 22 -10.454 3.389 -15.903 1.00 0.00 O ATOM 350 CB ALA A 22 -7.939 5.767 -15.551 1.00 0.00 C ATOM 0 H ALA A 22 -10.016 6.128 -14.278 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.408 6.042 -17.101 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.177 5.379 -16.227 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.789 6.838 -15.412 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.861 5.261 -14.588 1.00 0.00 H new ATOM 356 N GLU A 23 -8.681 3.455 -17.293 1.00 0.00 N ATOM 357 CA GLU A 23 -8.742 2.052 -17.704 1.00 0.00 C ATOM 358 C GLU A 23 -7.330 1.489 -17.907 1.00 0.00 C ATOM 359 O GLU A 23 -7.035 0.402 -17.412 1.00 0.00 O ATOM 360 CB GLU A 23 -9.586 1.945 -18.987 1.00 0.00 C ATOM 361 CG GLU A 23 -9.812 0.491 -19.423 1.00 0.00 C ATOM 362 CD GLU A 23 -10.750 0.406 -20.641 1.00 0.00 C ATOM 363 OE1 GLU A 23 -10.266 0.445 -21.795 1.00 0.00 O ATOM 364 OE2 GLU A 23 -11.983 0.275 -20.460 1.00 0.00 O ATOM 0 H GLU A 23 -7.907 3.966 -17.717 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.214 1.456 -16.923 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.550 2.426 -18.825 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.090 2.489 -19.791 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.855 0.030 -19.667 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.237 -0.076 -18.595 1.00 0.00 H new ATOM 371 N ASP A 24 -6.431 2.242 -18.549 1.00 0.00 N ATOM 372 CA ASP A 24 -5.052 1.840 -18.859 1.00 0.00 C ATOM 373 C ASP A 24 -4.148 3.058 -18.669 1.00 0.00 C ATOM 374 O ASP A 24 -4.639 4.166 -18.464 1.00 0.00 O ATOM 375 CB ASP A 24 -4.973 1.300 -20.299 1.00 0.00 C ATOM 376 CG ASP A 24 -3.723 0.457 -20.625 1.00 0.00 C ATOM 377 OD1 ASP A 24 -2.786 0.359 -19.800 1.00 0.00 O ATOM 378 OD2 ASP A 24 -3.668 -0.109 -21.739 1.00 0.00 O ATOM 0 H ASP A 24 -6.650 3.182 -18.880 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.724 1.042 -18.193 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.858 0.694 -20.490 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.010 2.144 -20.987 1.00 0.00 H new ATOM 383 N LYS A 25 -2.835 2.871 -18.733 1.00 0.00 N ATOM 384 CA LYS A 25 -1.799 3.844 -18.380 1.00 0.00 C ATOM 385 C LYS A 25 -1.984 5.228 -18.999 1.00 0.00 C ATOM 386 O LYS A 25 -1.737 6.222 -18.319 1.00 0.00 O ATOM 387 CB LYS A 25 -0.413 3.247 -18.669 1.00 0.00 C ATOM 388 CG LYS A 25 -0.171 2.872 -20.145 1.00 0.00 C ATOM 389 CD LYS A 25 1.057 1.967 -20.328 1.00 0.00 C ATOM 390 CE LYS A 25 0.931 0.590 -19.649 1.00 0.00 C ATOM 391 NZ LYS A 25 -0.113 -0.278 -20.253 1.00 0.00 N ATOM 0 H LYS A 25 -2.438 1.987 -19.050 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.893 4.032 -17.311 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.348 3.963 -18.360 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.280 2.356 -18.055 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.053 2.366 -20.537 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.039 3.782 -20.731 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.231 1.820 -21.394 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.934 2.478 -19.930 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.892 0.079 -19.702 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.705 0.735 -18.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.075 -1.221 -19.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.050 0.142 -20.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.055 -0.363 -21.276 1.00 0.00 H new ATOM 405 N GLU A 26 -2.449 5.314 -20.246 1.00 0.00 N ATOM 406 CA GLU A 26 -2.669 6.601 -20.907 1.00 0.00 C ATOM 407 C GLU A 26 -3.847 7.323 -20.244 1.00 0.00 C ATOM 408 O GLU A 26 -3.778 8.513 -19.944 1.00 0.00 O ATOM 409 CB GLU A 26 -2.936 6.379 -22.405 1.00 0.00 C ATOM 410 CG GLU A 26 -1.694 5.857 -23.143 1.00 0.00 C ATOM 411 CD GLU A 26 -1.964 5.671 -24.648 1.00 0.00 C ATOM 412 OE1 GLU A 26 -2.496 4.611 -25.050 1.00 0.00 O ATOM 413 OE2 GLU A 26 -1.623 6.569 -25.450 1.00 0.00 O ATOM 0 H GLU A 26 -2.681 4.504 -20.821 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.779 7.222 -20.806 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.754 5.669 -22.525 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.259 7.316 -22.858 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.868 6.555 -23.005 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.385 4.907 -22.708 1.00 0.00 H new ATOM 420 N GLU A 27 -4.918 6.583 -19.954 1.00 0.00 N ATOM 421 CA GLU A 27 -6.096 7.110 -19.279 1.00 0.00 C ATOM 422 C GLU A 27 -5.769 7.439 -17.819 1.00 0.00 C ATOM 423 O GLU A 27 -6.311 8.392 -17.266 1.00 0.00 O ATOM 424 CB GLU A 27 -7.254 6.101 -19.359 1.00 0.00 C ATOM 425 CG GLU A 27 -7.581 5.615 -20.781 1.00 0.00 C ATOM 426 CD GLU A 27 -7.919 6.762 -21.753 1.00 0.00 C ATOM 427 OE1 GLU A 27 -8.843 7.558 -21.471 1.00 0.00 O ATOM 428 OE2 GLU A 27 -7.287 6.857 -22.829 1.00 0.00 O ATOM 0 H GLU A 27 -4.989 5.592 -20.185 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.404 8.028 -19.779 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.009 5.237 -18.741 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.146 6.557 -18.931 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.731 5.056 -21.171 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.423 4.925 -20.737 1.00 0.00 H new ATOM 435 N ARG A 28 -4.871 6.680 -17.183 1.00 0.00 N ATOM 436 CA ARG A 28 -4.468 6.913 -15.797 1.00 0.00 C ATOM 437 C ARG A 28 -3.643 8.196 -15.727 1.00 0.00 C ATOM 438 O ARG A 28 -3.884 9.011 -14.836 1.00 0.00 O ATOM 439 CB ARG A 28 -3.705 5.686 -15.264 1.00 0.00 C ATOM 440 CG ARG A 28 -4.603 4.435 -15.144 1.00 0.00 C ATOM 441 CD ARG A 28 -3.793 3.142 -14.982 1.00 0.00 C ATOM 442 NE ARG A 28 -4.600 1.943 -15.282 1.00 0.00 N ATOM 443 CZ ARG A 28 -4.136 0.685 -15.330 1.00 0.00 C ATOM 444 NH1 ARG A 28 -2.869 0.412 -15.042 1.00 0.00 N ATOM 445 NH2 ARG A 28 -4.947 -0.305 -15.685 1.00 0.00 N ATOM 0 H ARG A 28 -4.403 5.885 -17.618 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.341 7.046 -15.158 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.869 5.466 -15.928 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.283 5.921 -14.287 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.270 4.551 -14.290 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.232 4.357 -16.031 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.927 3.171 -15.644 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.413 3.078 -13.962 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.593 2.082 -15.468 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.232 1.164 -14.779 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.532 -0.550 -15.083 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.920 -0.108 -15.920 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.597 -1.262 -15.722 1.00 0.00 H new ATOM 459 N ALA A 29 -2.751 8.428 -16.695 1.00 0.00 N ATOM 460 CA ALA A 29 -2.048 9.696 -16.830 1.00 0.00 C ATOM 461 C ALA A 29 -3.045 10.847 -16.982 1.00 0.00 C ATOM 462 O ALA A 29 -2.883 11.877 -16.333 1.00 0.00 O ATOM 463 CB ALA A 29 -1.095 9.644 -18.028 1.00 0.00 C ATOM 0 H ALA A 29 -2.500 7.739 -17.404 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.462 9.871 -15.928 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.574 10.597 -18.120 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.368 8.846 -17.880 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.664 9.452 -18.938 1.00 0.00 H new ATOM 469 N MET A 30 -4.095 10.679 -17.795 1.00 0.00 N ATOM 470 CA MET A 30 -5.135 11.696 -17.935 1.00 0.00 C ATOM 471 C MET A 30 -5.907 11.905 -16.630 1.00 0.00 C ATOM 472 O MET A 30 -6.200 13.048 -16.286 1.00 0.00 O ATOM 473 CB MET A 30 -6.076 11.367 -19.102 1.00 0.00 C ATOM 474 CG MET A 30 -5.396 11.493 -20.472 1.00 0.00 C ATOM 475 SD MET A 30 -4.787 13.150 -20.904 1.00 0.00 S ATOM 476 CE MET A 30 -3.046 13.044 -20.397 1.00 0.00 C ATOM 0 H MET A 30 -4.244 9.846 -18.365 1.00 0.00 H new ATOM 0 HA MET A 30 -4.640 12.640 -18.164 1.00 0.00 H new ATOM 0 HB2 MET A 30 -6.454 10.352 -18.982 1.00 0.00 H new ATOM 0 HB3 MET A 30 -6.937 12.034 -19.067 1.00 0.00 H new ATOM 0 HG2 MET A 30 -4.557 10.798 -20.505 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.103 11.175 -21.238 1.00 0.00 H new ATOM 0 HE1 MET A 30 -2.435 13.652 -21.065 1.00 0.00 H new ATOM 0 HE2 MET A 30 -2.942 13.410 -19.376 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.715 12.007 -20.446 1.00 0.00 H new ATOM 486 N GLY A 31 -6.192 10.844 -15.873 1.00 0.00 N ATOM 487 CA GLY A 31 -6.837 10.945 -14.571 1.00 0.00 C ATOM 488 C GLY A 31 -6.032 11.847 -13.635 1.00 0.00 C ATOM 489 O GLY A 31 -6.563 12.827 -13.104 1.00 0.00 O ATOM 0 H GLY A 31 -5.979 9.886 -16.152 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.845 11.343 -14.689 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.936 9.953 -14.131 1.00 0.00 H new ATOM 493 N TRP A 32 -4.728 11.577 -13.508 1.00 0.00 N ATOM 494 CA TRP A 32 -3.817 12.431 -12.755 1.00 0.00 C ATOM 495 C TRP A 32 -3.805 13.855 -13.310 1.00 0.00 C ATOM 496 O TRP A 32 -3.926 14.804 -12.534 1.00 0.00 O ATOM 497 CB TRP A 32 -2.405 11.833 -12.763 1.00 0.00 C ATOM 498 CG TRP A 32 -2.170 10.761 -11.746 1.00 0.00 C ATOM 499 CD1 TRP A 32 -2.185 9.427 -11.959 1.00 0.00 C ATOM 500 CD2 TRP A 32 -1.858 10.931 -10.331 1.00 0.00 C ATOM 501 NE1 TRP A 32 -1.872 8.762 -10.791 1.00 0.00 N ATOM 502 CE2 TRP A 32 -1.645 9.643 -9.755 1.00 0.00 C ATOM 503 CE3 TRP A 32 -1.727 12.050 -9.479 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -1.283 9.479 -8.412 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -1.379 11.893 -8.124 1.00 0.00 C ATOM 506 CH2 TRP A 32 -1.141 10.613 -7.596 1.00 0.00 C ATOM 0 H TRP A 32 -4.280 10.761 -13.925 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.171 12.482 -11.725 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.205 11.424 -13.753 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -1.685 12.635 -12.598 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.409 8.952 -12.903 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.816 7.747 -10.705 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -1.896 13.041 -9.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.115 8.491 -8.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.295 12.761 -7.487 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.849 10.501 -6.562 1.00 0.00 H new ATOM 517 N TYR A 33 -3.685 14.013 -14.631 1.00 0.00 N ATOM 518 CA TYR A 33 -3.573 15.314 -15.268 1.00 0.00 C ATOM 519 C TYR A 33 -4.777 16.186 -14.929 1.00 0.00 C ATOM 520 O TYR A 33 -4.598 17.304 -14.447 1.00 0.00 O ATOM 521 CB TYR A 33 -3.439 15.150 -16.790 1.00 0.00 C ATOM 522 CG TYR A 33 -3.490 16.467 -17.531 1.00 0.00 C ATOM 523 CD1 TYR A 33 -2.321 17.229 -17.691 1.00 0.00 C ATOM 524 CD2 TYR A 33 -4.723 16.969 -17.986 1.00 0.00 C ATOM 525 CE1 TYR A 33 -2.382 18.482 -18.318 1.00 0.00 C ATOM 526 CE2 TYR A 33 -4.800 18.244 -18.568 1.00 0.00 C ATOM 527 CZ TYR A 33 -3.623 19.000 -18.756 1.00 0.00 C ATOM 528 OH TYR A 33 -3.693 20.215 -19.363 1.00 0.00 O ATOM 0 H TYR A 33 -3.663 13.232 -15.287 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.678 15.808 -14.890 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.498 14.649 -17.015 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.239 14.504 -17.152 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.376 16.850 -17.331 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.616 16.370 -17.887 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.478 19.054 -18.467 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.756 18.645 -18.871 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.809 20.460 -19.707 1.00 0.00 H new ATOM 538 N TYR A 34 -5.996 15.694 -15.161 1.00 0.00 N ATOM 539 CA TYR A 34 -7.185 16.515 -15.006 1.00 0.00 C ATOM 540 C TYR A 34 -7.496 16.759 -13.531 1.00 0.00 C ATOM 541 O TYR A 34 -8.003 17.829 -13.201 1.00 0.00 O ATOM 542 CB TYR A 34 -8.376 15.901 -15.752 1.00 0.00 C ATOM 543 CG TYR A 34 -8.271 16.011 -17.266 1.00 0.00 C ATOM 544 CD1 TYR A 34 -8.282 17.280 -17.882 1.00 0.00 C ATOM 545 CD2 TYR A 34 -8.149 14.856 -18.061 1.00 0.00 C ATOM 546 CE1 TYR A 34 -8.198 17.393 -19.281 1.00 0.00 C ATOM 547 CE2 TYR A 34 -8.045 14.962 -19.460 1.00 0.00 C ATOM 548 CZ TYR A 34 -8.074 16.232 -20.079 1.00 0.00 C ATOM 549 OH TYR A 34 -7.985 16.325 -21.436 1.00 0.00 O ATOM 0 H TYR A 34 -6.179 14.735 -15.455 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.989 17.488 -15.456 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.462 14.850 -15.478 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.292 16.392 -15.423 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.355 18.170 -17.275 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.135 13.882 -17.594 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.228 18.367 -19.746 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.943 14.071 -20.062 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.904 15.427 -21.821 1.00 0.00 H new ATOM 559 N TYR A 35 -7.163 15.826 -12.632 1.00 0.00 N ATOM 560 CA TYR A 35 -7.307 16.059 -11.202 1.00 0.00 C ATOM 561 C TYR A 35 -6.389 17.203 -10.758 1.00 0.00 C ATOM 562 O TYR A 35 -6.836 18.121 -10.067 1.00 0.00 O ATOM 563 CB TYR A 35 -7.006 14.766 -10.438 1.00 0.00 C ATOM 564 CG TYR A 35 -7.233 14.884 -8.945 1.00 0.00 C ATOM 565 CD1 TYR A 35 -8.536 14.786 -8.422 1.00 0.00 C ATOM 566 CD2 TYR A 35 -6.144 15.099 -8.079 1.00 0.00 C ATOM 567 CE1 TYR A 35 -8.752 14.900 -7.038 1.00 0.00 C ATOM 568 CE2 TYR A 35 -6.352 15.222 -6.695 1.00 0.00 C ATOM 569 CZ TYR A 35 -7.661 15.120 -6.166 1.00 0.00 C ATOM 570 OH TYR A 35 -7.883 15.224 -4.825 1.00 0.00 O ATOM 0 H TYR A 35 -6.793 14.907 -12.875 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.332 16.354 -10.980 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.633 13.966 -10.831 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.970 14.478 -10.619 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.372 14.623 -9.086 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.144 15.170 -8.481 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.753 14.819 -6.640 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.514 15.394 -6.036 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.032 15.373 -4.363 1.00 0.00 H new ATOM 580 N LEU A 36 -5.123 17.196 -11.188 1.00 0.00 N ATOM 581 CA LEU A 36 -4.177 18.259 -10.867 1.00 0.00 C ATOM 582 C LEU A 36 -4.638 19.566 -11.502 1.00 0.00 C ATOM 583 O LEU A 36 -4.664 20.583 -10.816 1.00 0.00 O ATOM 584 CB LEU A 36 -2.755 17.892 -11.333 1.00 0.00 C ATOM 585 CG LEU A 36 -1.851 17.368 -10.200 1.00 0.00 C ATOM 586 CD1 LEU A 36 -2.413 16.128 -9.496 1.00 0.00 C ATOM 587 CD2 LEU A 36 -0.473 17.035 -10.777 1.00 0.00 C ATOM 0 H LEU A 36 -4.730 16.453 -11.767 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.145 18.385 -9.785 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.822 17.134 -12.113 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.290 18.770 -11.781 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.790 18.157 -9.450 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.726 15.813 -8.710 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.382 16.367 -9.057 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.531 15.321 -10.219 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.174 16.663 -9.982 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.576 16.271 -11.548 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.034 17.933 -11.212 1.00 0.00 H new ATOM 599 N ASP A 37 -5.056 19.548 -12.768 1.00 0.00 N ATOM 600 CA ASP A 37 -5.557 20.739 -13.450 1.00 0.00 C ATOM 601 C ASP A 37 -6.766 21.346 -12.732 1.00 0.00 C ATOM 602 O ASP A 37 -6.909 22.568 -12.695 1.00 0.00 O ATOM 603 CB ASP A 37 -5.916 20.406 -14.900 1.00 0.00 C ATOM 604 CG ASP A 37 -6.481 21.635 -15.629 1.00 0.00 C ATOM 605 OD1 ASP A 37 -5.693 22.529 -16.005 1.00 0.00 O ATOM 606 OD2 ASP A 37 -7.710 21.689 -15.866 1.00 0.00 O ATOM 0 H ASP A 37 -5.056 18.709 -13.348 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.761 21.483 -13.436 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.030 20.045 -15.423 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.649 19.599 -14.920 1.00 0.00 H new ATOM 611 N ASP A 38 -7.613 20.513 -12.118 1.00 0.00 N ATOM 612 CA ASP A 38 -8.774 20.969 -11.352 1.00 0.00 C ATOM 613 C ASP A 38 -8.396 21.456 -9.946 1.00 0.00 C ATOM 614 O ASP A 38 -9.137 22.240 -9.348 1.00 0.00 O ATOM 615 CB ASP A 38 -9.798 19.831 -11.247 1.00 0.00 C ATOM 616 CG ASP A 38 -11.060 20.265 -10.482 1.00 0.00 C ATOM 617 OD1 ASP A 38 -11.835 21.096 -11.009 1.00 0.00 O ATOM 618 OD2 ASP A 38 -11.317 19.740 -9.376 1.00 0.00 O ATOM 0 H ASP A 38 -7.510 19.498 -12.140 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.203 21.818 -11.884 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.076 19.499 -12.247 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.343 18.978 -10.743 1.00 0.00 H new ATOM 623 N THR A 39 -7.250 21.024 -9.414 1.00 0.00 N ATOM 624 CA THR A 39 -6.882 21.251 -8.017 1.00 0.00 C ATOM 625 C THR A 39 -5.919 22.433 -7.867 1.00 0.00 C ATOM 626 O THR A 39 -6.093 23.259 -6.970 1.00 0.00 O ATOM 627 CB THR A 39 -6.253 19.963 -7.454 1.00 0.00 C ATOM 628 OG1 THR A 39 -7.183 18.901 -7.516 1.00 0.00 O ATOM 629 CG2 THR A 39 -5.788 20.133 -6.004 1.00 0.00 C ATOM 0 H THR A 39 -6.549 20.505 -9.943 1.00 0.00 H new ATOM 0 HA THR A 39 -7.781 21.503 -7.454 1.00 0.00 H new ATOM 0 HB THR A 39 -5.381 19.739 -8.068 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.103 18.446 -8.380 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.351 19.199 -5.650 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.041 20.925 -5.952 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.640 20.396 -5.377 1.00 0.00 H new ATOM 637 N LEU A 40 -4.889 22.493 -8.711 1.00 0.00 N ATOM 638 CA LEU A 40 -3.777 23.421 -8.570 1.00 0.00 C ATOM 639 C LEU A 40 -4.281 24.847 -8.814 1.00 0.00 C ATOM 640 O LEU A 40 -4.840 25.138 -9.873 1.00 0.00 O ATOM 641 CB LEU A 40 -2.675 23.059 -9.581 1.00 0.00 C ATOM 642 CG LEU A 40 -2.007 21.679 -9.389 1.00 0.00 C ATOM 643 CD1 LEU A 40 -1.242 21.313 -10.666 1.00 0.00 C ATOM 644 CD2 LEU A 40 -1.036 21.592 -8.216 1.00 0.00 C ATOM 0 H LEU A 40 -4.807 21.885 -9.526 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.362 23.357 -7.564 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.102 23.098 -10.583 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.901 23.825 -9.535 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.821 20.988 -9.171 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.767 20.340 -10.539 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.935 21.272 -11.506 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.479 22.066 -10.862 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.619 20.586 -8.163 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.230 22.312 -8.357 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.564 21.815 -7.289 1.00 0.00 H new ATOM 656 N GLU A 41 -4.048 25.750 -7.864 1.00 0.00 N ATOM 657 CA GLU A 41 -4.444 27.157 -7.921 1.00 0.00 C ATOM 658 C GLU A 41 -3.407 27.967 -8.722 1.00 0.00 C ATOM 659 O GLU A 41 -2.888 28.982 -8.252 1.00 0.00 O ATOM 660 CB GLU A 41 -4.652 27.705 -6.492 1.00 0.00 C ATOM 661 CG GLU A 41 -5.854 27.092 -5.755 1.00 0.00 C ATOM 662 CD GLU A 41 -7.198 27.551 -6.351 1.00 0.00 C ATOM 663 OE1 GLU A 41 -7.708 28.624 -5.952 1.00 0.00 O ATOM 664 OE2 GLU A 41 -7.773 26.847 -7.211 1.00 0.00 O ATOM 0 H GLU A 41 -3.560 25.514 -7.000 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.396 27.253 -8.443 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.750 27.522 -5.909 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.784 28.786 -6.544 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.790 26.005 -5.801 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.812 27.369 -4.702 1.00 0.00 H new ATOM 671 N PHE A 42 -3.044 27.493 -9.918 1.00 0.00 N ATOM 672 CA PHE A 42 -2.182 28.240 -10.831 1.00 0.00 C ATOM 673 C PHE A 42 -2.870 29.548 -11.283 1.00 0.00 C ATOM 674 O PHE A 42 -4.105 29.618 -11.256 1.00 0.00 O ATOM 675 CB PHE A 42 -1.777 27.349 -12.014 1.00 0.00 C ATOM 676 CG PHE A 42 -2.919 26.789 -12.843 1.00 0.00 C ATOM 677 CD1 PHE A 42 -3.580 27.598 -13.788 1.00 0.00 C ATOM 678 CD2 PHE A 42 -3.261 25.429 -12.732 1.00 0.00 C ATOM 679 CE1 PHE A 42 -4.599 27.057 -14.592 1.00 0.00 C ATOM 680 CE2 PHE A 42 -4.280 24.889 -13.535 1.00 0.00 C ATOM 681 CZ PHE A 42 -4.953 25.703 -14.462 1.00 0.00 C ATOM 0 H PHE A 42 -3.339 26.585 -10.277 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.268 28.530 -10.312 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.125 27.925 -12.671 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.188 26.515 -11.631 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.303 28.636 -13.895 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.739 24.798 -12.028 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.110 27.682 -15.310 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.546 23.847 -13.440 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.741 25.289 -15.074 1.00 0.00 H new ATOM 691 N PRO A 43 -2.125 30.571 -11.752 1.00 0.00 N ATOM 692 CA PRO A 43 -0.666 30.664 -11.744 1.00 0.00 C ATOM 693 C PRO A 43 -0.134 30.740 -10.307 1.00 0.00 C ATOM 694 O PRO A 43 -0.773 31.343 -9.441 1.00 0.00 O ATOM 695 CB PRO A 43 -0.339 31.937 -12.534 1.00 0.00 C ATOM 696 CG PRO A 43 -1.566 32.821 -12.330 1.00 0.00 C ATOM 697 CD PRO A 43 -2.705 31.806 -12.264 1.00 0.00 C ATOM 0 HA PRO A 43 -0.196 29.788 -12.191 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.566 32.417 -12.161 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.173 31.721 -13.589 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -1.494 33.409 -11.415 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.699 33.525 -13.151 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.503 32.160 -11.612 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.144 31.650 -13.249 1.00 0.00 H new ATOM 705 N PHE A 44 1.026 30.129 -10.046 1.00 0.00 N ATOM 706 CA PHE A 44 1.653 30.152 -8.723 1.00 0.00 C ATOM 707 C PHE A 44 3.172 30.167 -8.881 1.00 0.00 C ATOM 708 O PHE A 44 3.686 29.827 -9.943 1.00 0.00 O ATOM 709 CB PHE A 44 1.157 28.980 -7.847 1.00 0.00 C ATOM 710 CG PHE A 44 1.530 27.564 -8.273 1.00 0.00 C ATOM 711 CD1 PHE A 44 2.847 27.104 -8.100 1.00 0.00 C ATOM 712 CD2 PHE A 44 0.559 26.672 -8.766 1.00 0.00 C ATOM 713 CE1 PHE A 44 3.213 25.797 -8.452 1.00 0.00 C ATOM 714 CE2 PHE A 44 0.918 25.357 -9.118 1.00 0.00 C ATOM 715 CZ PHE A 44 2.247 24.919 -8.969 1.00 0.00 C ATOM 0 H PHE A 44 1.555 29.606 -10.744 1.00 0.00 H new ATOM 0 HA PHE A 44 1.361 31.062 -8.199 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.534 29.135 -6.836 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.070 29.038 -7.795 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.591 27.770 -7.688 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.465 26.998 -8.875 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.234 25.467 -8.326 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.170 24.681 -9.504 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.522 23.913 -9.251 1.00 0.00 H new ATOM 725 N MET A 45 3.910 30.555 -7.843 1.00 0.00 N ATOM 726 CA MET A 45 5.369 30.602 -7.896 1.00 0.00 C ATOM 727 C MET A 45 5.930 29.262 -7.424 1.00 0.00 C ATOM 728 O MET A 45 5.395 28.672 -6.485 1.00 0.00 O ATOM 729 CB MET A 45 5.845 31.745 -6.986 1.00 0.00 C ATOM 730 CG MET A 45 7.367 31.894 -6.967 1.00 0.00 C ATOM 731 SD MET A 45 7.963 33.170 -5.832 1.00 0.00 S ATOM 732 CE MET A 45 9.734 32.960 -6.127 1.00 0.00 C ATOM 0 H MET A 45 3.517 30.844 -6.947 1.00 0.00 H new ATOM 0 HA MET A 45 5.718 30.782 -8.913 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.397 32.681 -7.321 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.489 31.567 -5.971 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.813 30.938 -6.690 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.712 32.127 -7.974 1.00 0.00 H new ATOM 0 HE1 MET A 45 10.296 33.506 -5.369 1.00 0.00 H new ATOM 0 HE2 MET A 45 9.988 31.901 -6.075 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.987 33.346 -7.114 1.00 0.00 H new ATOM 742 N GLY A 46 7.036 28.794 -8.001 1.00 0.00 N ATOM 743 CA GLY A 46 7.704 27.595 -7.531 1.00 0.00 C ATOM 744 C GLY A 46 9.181 27.597 -7.880 1.00 0.00 C ATOM 745 O GLY A 46 9.672 28.445 -8.627 1.00 0.00 O ATOM 0 H GLY A 46 7.487 29.236 -8.802 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.586 27.514 -6.450 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.228 26.718 -7.970 1.00 0.00 H new ATOM 749 N LYS A 47 9.900 26.634 -7.315 1.00 0.00 N ATOM 750 CA LYS A 47 11.272 26.343 -7.703 1.00 0.00 C ATOM 751 C LYS A 47 11.218 25.127 -8.620 1.00 0.00 C ATOM 752 O LYS A 47 10.621 24.109 -8.263 1.00 0.00 O ATOM 753 CB LYS A 47 12.133 26.050 -6.458 1.00 0.00 C ATOM 754 CG LYS A 47 13.639 26.221 -6.727 1.00 0.00 C ATOM 755 CD LYS A 47 14.095 27.691 -6.768 1.00 0.00 C ATOM 756 CE LYS A 47 14.058 28.357 -5.383 1.00 0.00 C ATOM 757 NZ LYS A 47 14.759 29.666 -5.378 1.00 0.00 N ATOM 0 H LYS A 47 9.545 26.032 -6.572 1.00 0.00 H new ATOM 0 HA LYS A 47 11.725 27.193 -8.213 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.834 26.716 -5.649 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.941 25.032 -6.120 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.200 25.697 -5.953 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.886 25.746 -7.676 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.109 27.743 -7.166 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.455 28.248 -7.453 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.022 28.499 -5.076 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.519 27.695 -4.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.354 30.274 -4.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 15.771 29.517 -5.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.644 30.125 -6.304 1.00 0.00 H new ATOM 771 N TRP A 48 11.819 25.225 -9.799 1.00 0.00 N ATOM 772 CA TRP A 48 12.042 24.091 -10.675 1.00 0.00 C ATOM 773 C TRP A 48 13.333 23.451 -10.168 1.00 0.00 C ATOM 774 O TRP A 48 14.410 24.022 -10.340 1.00 0.00 O ATOM 775 CB TRP A 48 12.148 24.577 -12.131 1.00 0.00 C ATOM 776 CG TRP A 48 12.281 23.535 -13.204 1.00 0.00 C ATOM 777 CD1 TRP A 48 12.312 22.196 -13.022 1.00 0.00 C ATOM 778 CD2 TRP A 48 12.396 23.727 -14.648 1.00 0.00 C ATOM 779 NE1 TRP A 48 12.436 21.552 -14.231 1.00 0.00 N ATOM 780 CE2 TRP A 48 12.498 22.448 -15.276 1.00 0.00 C ATOM 781 CE3 TRP A 48 12.409 24.857 -15.494 1.00 0.00 C ATOM 782 CZ2 TRP A 48 12.607 22.299 -16.668 1.00 0.00 C ATOM 783 CZ3 TRP A 48 12.514 24.722 -16.893 1.00 0.00 C ATOM 784 CH2 TRP A 48 12.611 23.447 -17.480 1.00 0.00 C ATOM 0 H TRP A 48 12.168 26.107 -10.175 1.00 0.00 H new ATOM 0 HA TRP A 48 11.229 23.365 -10.664 1.00 0.00 H new ATOM 0 HB2 TRP A 48 11.263 25.175 -12.351 1.00 0.00 H new ATOM 0 HB3 TRP A 48 13.008 25.243 -12.201 1.00 0.00 H new ATOM 0 HD1 TRP A 48 12.248 21.702 -12.064 1.00 0.00 H new ATOM 0 HE1 TRP A 48 12.477 20.539 -14.340 1.00 0.00 H new ATOM 0 HE3 TRP A 48 12.337 25.844 -15.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 12.687 21.316 -17.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 12.520 25.603 -17.518 1.00 0.00 H new ATOM 0 HH2 TRP A 48 12.688 23.350 -18.553 1.00 0.00 H new ATOM 795 N LYS A 49 13.237 22.300 -9.504 1.00 0.00 N ATOM 796 CA LYS A 49 14.368 21.485 -9.070 1.00 0.00 C ATOM 797 C LYS A 49 14.687 20.507 -10.201 1.00 0.00 C ATOM 798 O LYS A 49 14.436 19.306 -10.090 1.00 0.00 O ATOM 799 CB LYS A 49 14.002 20.759 -7.764 1.00 0.00 C ATOM 800 CG LYS A 49 14.178 21.672 -6.548 1.00 0.00 C ATOM 801 CD LYS A 49 13.794 20.933 -5.260 1.00 0.00 C ATOM 802 CE LYS A 49 14.375 21.669 -4.049 1.00 0.00 C ATOM 803 NZ LYS A 49 13.920 21.073 -2.770 1.00 0.00 N ATOM 0 H LYS A 49 12.337 21.896 -9.245 1.00 0.00 H new ATOM 0 HA LYS A 49 15.250 22.092 -8.864 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.969 20.414 -7.815 1.00 0.00 H new ATOM 0 HB3 LYS A 49 14.628 19.874 -7.650 1.00 0.00 H new ATOM 0 HG2 LYS A 49 15.213 22.009 -6.486 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.559 22.562 -6.662 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.709 20.872 -5.174 1.00 0.00 H new ATOM 0 HD3 LYS A 49 14.170 19.910 -5.291 1.00 0.00 H new ATOM 0 HE2 LYS A 49 15.464 21.642 -4.095 1.00 0.00 H new ATOM 0 HE3 LYS A 49 14.081 22.718 -4.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.308 21.620 -1.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.881 21.091 -2.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.252 20.089 -2.708 1.00 0.00 H new ATOM 817 N LYS A 50 15.148 21.045 -11.329 1.00 0.00 N ATOM 818 CA LYS A 50 15.416 20.264 -12.532 1.00 0.00 C ATOM 819 C LYS A 50 16.447 19.189 -12.194 1.00 0.00 C ATOM 820 O LYS A 50 17.593 19.528 -11.906 1.00 0.00 O ATOM 821 CB LYS A 50 15.877 21.189 -13.671 1.00 0.00 C ATOM 822 CG LYS A 50 15.903 20.441 -15.013 1.00 0.00 C ATOM 823 CD LYS A 50 16.256 21.387 -16.170 1.00 0.00 C ATOM 824 CE LYS A 50 16.184 20.641 -17.512 1.00 0.00 C ATOM 825 NZ LYS A 50 16.440 21.536 -18.671 1.00 0.00 N ATOM 0 H LYS A 50 15.347 22.040 -11.433 1.00 0.00 H new ATOM 0 HA LYS A 50 14.510 19.768 -12.881 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.207 22.046 -13.742 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.871 21.578 -13.448 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.631 19.631 -14.967 1.00 0.00 H new ATOM 0 HG3 LYS A 50 14.930 19.985 -15.197 1.00 0.00 H new ATOM 0 HD2 LYS A 50 15.569 22.233 -16.179 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.258 21.792 -16.025 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.913 19.831 -17.514 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.200 20.185 -17.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 16.381 20.988 -19.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.729 22.295 -18.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 17.389 21.952 -18.585 1.00 0.00 H new ATOM 839 N LYS A 51 16.064 17.908 -12.219 1.00 0.00 N ATOM 840 CA LYS A 51 16.998 16.798 -12.012 1.00 0.00 C ATOM 841 C LYS A 51 17.692 16.451 -13.324 1.00 0.00 C ATOM 842 O LYS A 51 18.875 16.121 -13.339 1.00 0.00 O ATOM 843 CB LYS A 51 16.245 15.585 -11.437 1.00 0.00 C ATOM 844 CG LYS A 51 17.222 14.514 -10.919 1.00 0.00 C ATOM 845 CD LYS A 51 16.530 13.381 -10.146 1.00 0.00 C ATOM 846 CE LYS A 51 15.576 12.565 -11.032 1.00 0.00 C ATOM 847 NZ LYS A 51 14.964 11.429 -10.297 1.00 0.00 N ATOM 0 H LYS A 51 15.101 17.613 -12.383 1.00 0.00 H new ATOM 0 HA LYS A 51 17.764 17.093 -11.295 1.00 0.00 H new ATOM 0 HB2 LYS A 51 15.594 15.910 -10.625 1.00 0.00 H new ATOM 0 HB3 LYS A 51 15.604 15.154 -12.206 1.00 0.00 H new ATOM 0 HG2 LYS A 51 17.765 14.089 -11.763 1.00 0.00 H new ATOM 0 HG3 LYS A 51 17.960 14.988 -10.272 1.00 0.00 H new ATOM 0 HD2 LYS A 51 17.286 12.718 -9.724 1.00 0.00 H new ATOM 0 HD3 LYS A 51 15.973 13.803 -9.309 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.789 13.216 -11.412 1.00 0.00 H new ATOM 0 HE3 LYS A 51 16.121 12.185 -11.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.328 10.906 -10.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 15.713 10.793 -9.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.422 11.791 -9.487 1.00 0.00 H new ATOM 861 N SER A 52 16.986 16.575 -14.445 1.00 0.00 N ATOM 862 CA SER A 52 17.486 16.278 -15.786 1.00 0.00 C ATOM 863 C SER A 52 18.474 17.342 -16.304 1.00 0.00 C ATOM 864 O SER A 52 18.676 17.466 -17.512 1.00 0.00 O ATOM 865 CB SER A 52 16.267 16.135 -16.707 1.00 0.00 C ATOM 866 OG SER A 52 15.296 15.292 -16.098 1.00 0.00 O ATOM 0 H SER A 52 16.018 16.896 -14.446 1.00 0.00 H new ATOM 0 HA SER A 52 18.060 15.352 -15.764 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.835 17.115 -16.908 1.00 0.00 H new ATOM 0 HB3 SER A 52 16.572 15.718 -17.667 1.00 0.00 H new ATOM 0 HG SER A 52 14.705 14.923 -16.787 1.00 0.00 H new ATOM 872 N ARG A 53 19.047 18.167 -15.417 1.00 0.00 N ATOM 873 CA ARG A 53 19.862 19.320 -15.783 1.00 0.00 C ATOM 874 C ARG A 53 21.137 18.914 -16.522 1.00 0.00 C ATOM 875 O ARG A 53 21.524 19.619 -17.456 1.00 0.00 O ATOM 876 CB ARG A 53 20.186 20.120 -14.503 1.00 0.00 C ATOM 877 CG ARG A 53 21.233 21.222 -14.709 1.00 0.00 C ATOM 878 CD ARG A 53 20.797 22.316 -15.687 1.00 0.00 C ATOM 879 NE ARG A 53 21.894 23.267 -15.900 1.00 0.00 N ATOM 880 CZ ARG A 53 22.853 23.189 -16.831 1.00 0.00 C ATOM 881 NH1 ARG A 53 22.910 22.162 -17.680 1.00 0.00 N ATOM 882 NH2 ARG A 53 23.765 24.152 -16.897 1.00 0.00 N ATOM 0 H ARG A 53 18.952 18.045 -14.409 1.00 0.00 H new ATOM 0 HA ARG A 53 19.298 19.945 -16.476 1.00 0.00 H new ATOM 0 HB2 ARG A 53 19.268 20.570 -14.125 1.00 0.00 H new ATOM 0 HB3 ARG A 53 20.543 19.432 -13.736 1.00 0.00 H new ATOM 0 HG2 ARG A 53 21.460 21.679 -13.746 1.00 0.00 H new ATOM 0 HG3 ARG A 53 22.156 20.770 -15.073 1.00 0.00 H new ATOM 0 HD2 ARG A 53 20.503 21.870 -16.637 1.00 0.00 H new ATOM 0 HD3 ARG A 53 19.924 22.838 -15.296 1.00 0.00 H new ATOM 0 HE ARG A 53 21.930 24.071 -15.274 1.00 0.00 H new ATOM 0 HH11 ARG A 53 22.215 21.417 -17.627 1.00 0.00 H new ATOM 0 HH12 ARG A 53 23.649 22.121 -18.382 1.00 0.00 H new ATOM 0 HH21 ARG A 53 23.728 24.935 -16.245 1.00 0.00 H new ATOM 0 HH22 ARG A 53 24.503 24.108 -17.600 1.00 0.00 H new ATOM 896 N LYS A 54 21.832 17.866 -16.063 1.00 0.00 N ATOM 897 CA LYS A 54 23.170 17.531 -16.563 1.00 0.00 C ATOM 898 C LYS A 54 23.551 16.078 -16.280 1.00 0.00 C ATOM 899 O LYS A 54 23.959 15.392 -17.219 1.00 0.00 O ATOM 900 CB LYS A 54 24.224 18.530 -16.023 1.00 0.00 C ATOM 901 CG LYS A 54 24.260 18.710 -14.493 1.00 0.00 C ATOM 902 CD LYS A 54 24.984 19.998 -14.073 1.00 0.00 C ATOM 903 CE LYS A 54 24.929 20.140 -12.544 1.00 0.00 C ATOM 904 NZ LYS A 54 25.299 21.503 -12.088 1.00 0.00 N ATOM 0 H LYS A 54 21.487 17.232 -15.342 1.00 0.00 H new ATOM 0 HA LYS A 54 23.148 17.627 -17.649 1.00 0.00 H new ATOM 0 HB2 LYS A 54 25.210 18.202 -16.354 1.00 0.00 H new ATOM 0 HB3 LYS A 54 24.041 19.503 -16.480 1.00 0.00 H new ATOM 0 HG2 LYS A 54 23.241 18.727 -14.108 1.00 0.00 H new ATOM 0 HG3 LYS A 54 24.758 17.852 -14.040 1.00 0.00 H new ATOM 0 HD2 LYS A 54 26.020 19.972 -14.410 1.00 0.00 H new ATOM 0 HD3 LYS A 54 24.517 20.862 -14.546 1.00 0.00 H new ATOM 0 HE2 LYS A 54 23.923 19.904 -12.196 1.00 0.00 H new ATOM 0 HE3 LYS A 54 25.602 19.413 -12.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 25.609 21.465 -11.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 26.073 21.868 -12.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 24.475 22.132 -12.170 1.00 0.00 H new ATOM 918 N THR A 55 23.363 15.581 -15.052 1.00 0.00 N ATOM 919 CA THR A 55 23.900 14.277 -14.650 1.00 0.00 C ATOM 920 C THR A 55 22.922 13.570 -13.690 1.00 0.00 C ATOM 921 O THR A 55 23.345 12.862 -12.776 1.00 0.00 O ATOM 922 CB THR A 55 25.321 14.477 -14.054 1.00 0.00 C ATOM 923 OG1 THR A 55 26.042 15.507 -14.719 1.00 0.00 O ATOM 924 CG2 THR A 55 26.181 13.210 -14.166 1.00 0.00 C ATOM 0 H THR A 55 22.842 16.063 -14.319 1.00 0.00 H new ATOM 0 HA THR A 55 24.001 13.618 -15.512 1.00 0.00 H new ATOM 0 HB THR A 55 25.149 14.737 -13.010 1.00 0.00 H new ATOM 0 HG1 THR A 55 26.929 15.601 -14.312 1.00 0.00 H new ATOM 0 HG21 THR A 55 27.165 13.399 -13.736 1.00 0.00 H new ATOM 0 HG22 THR A 55 25.700 12.395 -13.626 1.00 0.00 H new ATOM 0 HG23 THR A 55 26.290 12.936 -15.215 1.00 0.00 H new ATOM 932 N SER A 56 21.605 13.752 -13.884 1.00 0.00 N ATOM 933 CA SER A 56 20.574 13.327 -12.929 1.00 0.00 C ATOM 934 C SER A 56 20.880 13.933 -11.547 1.00 0.00 C ATOM 935 O SER A 56 21.023 13.237 -10.540 1.00 0.00 O ATOM 936 CB SER A 56 20.403 11.799 -12.938 1.00 0.00 C ATOM 937 OG SER A 56 20.154 11.331 -14.257 1.00 0.00 O ATOM 0 H SER A 56 21.225 14.203 -14.717 1.00 0.00 H new ATOM 0 HA SER A 56 19.598 13.711 -13.227 1.00 0.00 H new ATOM 0 HB2 SER A 56 21.301 11.325 -12.542 1.00 0.00 H new ATOM 0 HB3 SER A 56 19.578 11.516 -12.284 1.00 0.00 H new ATOM 0 HG SER A 56 20.050 10.357 -14.244 1.00 0.00 H new ATOM 943 N THR A 57 21.027 15.256 -11.538 1.00 0.00 N ATOM 944 CA THR A 57 21.522 16.077 -10.442 1.00 0.00 C ATOM 945 C THR A 57 20.574 17.267 -10.306 1.00 0.00 C ATOM 946 O THR A 57 20.261 17.910 -11.310 1.00 0.00 O ATOM 947 CB THR A 57 22.953 16.544 -10.784 1.00 0.00 C ATOM 948 OG1 THR A 57 23.076 16.830 -12.173 1.00 0.00 O ATOM 949 CG2 THR A 57 24.004 15.494 -10.421 1.00 0.00 C ATOM 0 H THR A 57 20.786 15.819 -12.354 1.00 0.00 H new ATOM 0 HA THR A 57 21.558 15.527 -9.502 1.00 0.00 H new ATOM 0 HB THR A 57 23.128 17.444 -10.194 1.00 0.00 H new ATOM 0 HG1 THR A 57 22.264 17.279 -12.488 1.00 0.00 H new ATOM 0 HG21 THR A 57 24.995 15.867 -10.680 1.00 0.00 H new ATOM 0 HG22 THR A 57 23.961 15.291 -9.351 1.00 0.00 H new ATOM 0 HG23 THR A 57 23.806 14.575 -10.973 1.00 0.00 H new ATOM 957 N ILE A 58 20.107 17.558 -9.089 1.00 0.00 N ATOM 958 CA ILE A 58 19.208 18.683 -8.858 1.00 0.00 C ATOM 959 C ILE A 58 19.977 19.983 -9.116 1.00 0.00 C ATOM 960 O ILE A 58 21.105 20.162 -8.649 1.00 0.00 O ATOM 961 CB ILE A 58 18.610 18.645 -7.428 1.00 0.00 C ATOM 962 CG1 ILE A 58 17.854 17.329 -7.124 1.00 0.00 C ATOM 963 CG2 ILE A 58 17.687 19.855 -7.163 1.00 0.00 C ATOM 964 CD1 ILE A 58 16.597 17.085 -7.968 1.00 0.00 C ATOM 0 H ILE A 58 20.339 17.027 -8.250 1.00 0.00 H new ATOM 0 HA ILE A 58 18.364 18.622 -9.545 1.00 0.00 H new ATOM 0 HB ILE A 58 19.464 18.697 -6.752 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.539 16.494 -7.272 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.571 17.327 -6.071 1.00 0.00 H new ATOM 0 HG21 ILE A 58 17.287 19.793 -6.151 1.00 0.00 H new ATOM 0 HG22 ILE A 58 18.257 20.778 -7.272 1.00 0.00 H new ATOM 0 HG23 ILE A 58 16.865 19.849 -7.879 1.00 0.00 H new ATOM 0 HD11 ILE A 58 16.142 16.138 -7.678 1.00 0.00 H new ATOM 0 HD12 ILE A 58 15.886 17.895 -7.804 1.00 0.00 H new ATOM 0 HD13 ILE A 58 16.869 17.049 -9.023 1.00 0.00 H new ATOM 976 N GLU A 59 19.326 20.897 -9.826 1.00 0.00 N ATOM 977 CA GLU A 59 19.734 22.276 -10.009 1.00 0.00 C ATOM 978 C GLU A 59 18.433 23.076 -9.908 1.00 0.00 C ATOM 979 O GLU A 59 17.358 22.566 -10.241 1.00 0.00 O ATOM 980 CB GLU A 59 20.487 22.459 -11.335 1.00 0.00 C ATOM 981 CG GLU A 59 21.112 23.860 -11.443 1.00 0.00 C ATOM 982 CD GLU A 59 22.169 23.976 -12.556 1.00 0.00 C ATOM 983 OE1 GLU A 59 23.231 23.319 -12.459 1.00 0.00 O ATOM 984 OE2 GLU A 59 21.954 24.744 -13.523 1.00 0.00 O ATOM 0 H GLU A 59 18.456 20.681 -10.312 1.00 0.00 H new ATOM 0 HA GLU A 59 20.448 22.621 -9.261 1.00 0.00 H new ATOM 0 HB2 GLU A 59 21.269 21.704 -11.417 1.00 0.00 H new ATOM 0 HB3 GLU A 59 19.802 22.300 -12.168 1.00 0.00 H new ATOM 0 HG2 GLU A 59 20.322 24.589 -11.626 1.00 0.00 H new ATOM 0 HG3 GLU A 59 21.571 24.119 -10.489 1.00 0.00 H new ATOM 991 N GLU A 60 18.511 24.307 -9.412 1.00 0.00 N ATOM 992 CA GLU A 60 17.339 25.089 -9.045 1.00 0.00 C ATOM 993 C GLU A 60 17.195 26.289 -9.979 1.00 0.00 C ATOM 994 O GLU A 60 18.176 26.983 -10.265 1.00 0.00 O ATOM 995 CB GLU A 60 17.492 25.539 -7.583 1.00 0.00 C ATOM 996 CG GLU A 60 17.333 24.378 -6.591 1.00 0.00 C ATOM 997 CD GLU A 60 17.602 24.832 -5.146 1.00 0.00 C ATOM 998 OE1 GLU A 60 18.773 24.799 -4.701 1.00 0.00 O ATOM 999 OE2 GLU A 60 16.647 25.210 -4.432 1.00 0.00 O ATOM 0 H GLU A 60 19.395 24.791 -9.253 1.00 0.00 H new ATOM 0 HA GLU A 60 16.436 24.486 -9.142 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.472 25.997 -7.448 1.00 0.00 H new ATOM 0 HB3 GLU A 60 16.749 26.305 -7.362 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.325 23.971 -6.664 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.021 23.575 -6.855 1.00 0.00 H new ATOM 1006 N LYS A 61 15.961 26.568 -10.410 1.00 0.00 N ATOM 1007 CA LYS A 61 15.588 27.778 -11.140 1.00 0.00 C ATOM 1008 C LYS A 61 14.303 28.285 -10.495 1.00 0.00 C ATOM 1009 O LYS A 61 13.440 27.475 -10.155 1.00 0.00 O ATOM 1010 CB LYS A 61 15.385 27.417 -12.623 1.00 0.00 C ATOM 1011 CG LYS A 61 15.179 28.639 -13.534 1.00 0.00 C ATOM 1012 CD LYS A 61 14.682 28.255 -14.941 1.00 0.00 C ATOM 1013 CE LYS A 61 15.513 27.178 -15.664 1.00 0.00 C ATOM 1014 NZ LYS A 61 16.885 27.635 -16.008 1.00 0.00 N ATOM 0 H LYS A 61 15.173 25.939 -10.255 1.00 0.00 H new ATOM 0 HA LYS A 61 16.353 28.554 -11.097 1.00 0.00 H new ATOM 0 HB2 LYS A 61 16.251 26.856 -12.973 1.00 0.00 H new ATOM 0 HB3 LYS A 61 14.521 26.758 -12.713 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.460 29.315 -13.071 1.00 0.00 H new ATOM 0 HG3 LYS A 61 16.119 29.184 -13.621 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.653 27.903 -14.861 1.00 0.00 H new ATOM 0 HD3 LYS A 61 14.665 29.152 -15.559 1.00 0.00 H new ATOM 0 HE2 LYS A 61 15.579 26.293 -15.031 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.996 26.880 -16.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 17.395 26.869 -16.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 16.828 28.463 -16.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 17.393 27.894 -15.138 1.00 0.00 H new ATOM 1028 N THR A 62 14.157 29.591 -10.304 1.00 0.00 N ATOM 1029 CA THR A 62 12.973 30.160 -9.669 1.00 0.00 C ATOM 1030 C THR A 62 12.012 30.568 -10.783 1.00 0.00 C ATOM 1031 O THR A 62 12.402 31.301 -11.693 1.00 0.00 O ATOM 1032 CB THR A 62 13.403 31.320 -8.759 1.00 0.00 C ATOM 1033 OG1 THR A 62 14.461 30.899 -7.914 1.00 0.00 O ATOM 1034 CG2 THR A 62 12.269 31.758 -7.841 1.00 0.00 C ATOM 0 H THR A 62 14.852 30.283 -10.583 1.00 0.00 H new ATOM 0 HA THR A 62 12.454 29.449 -9.026 1.00 0.00 H new ATOM 0 HB THR A 62 13.702 32.142 -9.410 1.00 0.00 H new ATOM 0 HG1 THR A 62 14.840 31.676 -7.452 1.00 0.00 H new ATOM 0 HG21 THR A 62 12.608 32.580 -7.211 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.421 32.087 -8.442 1.00 0.00 H new ATOM 0 HG23 THR A 62 11.966 30.921 -7.213 1.00 0.00 H new ATOM 1042 N VAL A 63 10.767 30.088 -10.741 1.00 0.00 N ATOM 1043 CA VAL A 63 9.838 30.224 -11.852 1.00 0.00 C ATOM 1044 C VAL A 63 8.436 30.567 -11.353 1.00 0.00 C ATOM 1045 O VAL A 63 8.054 30.277 -10.219 1.00 0.00 O ATOM 1046 CB VAL A 63 9.824 28.942 -12.721 1.00 0.00 C ATOM 1047 CG1 VAL A 63 11.199 28.601 -13.318 1.00 0.00 C ATOM 1048 CG2 VAL A 63 9.319 27.694 -11.979 1.00 0.00 C ATOM 0 H VAL A 63 10.381 29.596 -9.935 1.00 0.00 H new ATOM 0 HA VAL A 63 10.179 31.048 -12.478 1.00 0.00 H new ATOM 0 HB VAL A 63 9.124 29.193 -13.518 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.121 27.693 -13.916 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.535 29.423 -13.950 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.917 28.445 -12.513 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.338 26.837 -12.653 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.962 27.496 -11.121 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.298 27.863 -11.636 1.00 0.00 H new ATOM 1058 N GLU A 64 7.659 31.185 -12.228 1.00 0.00 N ATOM 1059 CA GLU A 64 6.235 31.405 -12.056 1.00 0.00 C ATOM 1060 C GLU A 64 5.579 30.397 -12.995 1.00 0.00 C ATOM 1061 O GLU A 64 5.854 30.417 -14.196 1.00 0.00 O ATOM 1062 CB GLU A 64 5.878 32.862 -12.393 1.00 0.00 C ATOM 1063 CG GLU A 64 4.383 33.129 -12.169 1.00 0.00 C ATOM 1064 CD GLU A 64 4.047 34.623 -12.329 1.00 0.00 C ATOM 1065 OE1 GLU A 64 3.816 35.086 -13.469 1.00 0.00 O ATOM 1066 OE2 GLU A 64 3.992 35.349 -11.310 1.00 0.00 O ATOM 0 H GLU A 64 8.016 31.559 -13.107 1.00 0.00 H new ATOM 0 HA GLU A 64 5.892 31.259 -11.032 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.468 33.537 -11.774 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.137 33.073 -13.431 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.798 32.545 -12.879 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.098 32.796 -11.171 1.00 0.00 H new ATOM 1073 N VAL A 65 4.782 29.472 -12.464 1.00 0.00 N ATOM 1074 CA VAL A 65 4.003 28.555 -13.285 1.00 0.00 C ATOM 1075 C VAL A 65 2.772 29.308 -13.777 1.00 0.00 C ATOM 1076 O VAL A 65 2.163 30.064 -13.014 1.00 0.00 O ATOM 1077 CB VAL A 65 3.656 27.224 -12.573 1.00 0.00 C ATOM 1078 CG1 VAL A 65 4.786 26.721 -11.655 1.00 0.00 C ATOM 1079 CG2 VAL A 65 2.328 27.189 -11.806 1.00 0.00 C ATOM 0 H VAL A 65 4.660 29.339 -11.460 1.00 0.00 H new ATOM 0 HA VAL A 65 4.606 28.235 -14.135 1.00 0.00 H new ATOM 0 HB VAL A 65 3.534 26.547 -13.418 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.483 25.785 -11.185 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.688 26.556 -12.245 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.988 27.466 -10.885 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.196 26.207 -11.351 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.338 27.951 -11.027 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.505 27.384 -12.494 1.00 0.00 H new ATOM 1089 N LEU A 66 2.381 29.077 -15.030 1.00 0.00 N ATOM 1090 CA LEU A 66 1.223 29.721 -15.637 1.00 0.00 C ATOM 1091 C LEU A 66 0.017 28.781 -15.623 1.00 0.00 C ATOM 1092 O LEU A 66 -1.120 29.252 -15.638 1.00 0.00 O ATOM 1093 CB LEU A 66 1.527 30.175 -17.079 1.00 0.00 C ATOM 1094 CG LEU A 66 2.651 31.217 -17.273 1.00 0.00 C ATOM 1095 CD1 LEU A 66 2.605 32.354 -16.244 1.00 0.00 C ATOM 1096 CD2 LEU A 66 4.048 30.588 -17.267 1.00 0.00 C ATOM 0 H LEU A 66 2.865 28.432 -15.655 1.00 0.00 H new ATOM 0 HA LEU A 66 0.987 30.606 -15.046 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.782 29.291 -17.664 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.611 30.585 -17.504 1.00 0.00 H new ATOM 0 HG LEU A 66 2.461 31.641 -18.259 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.421 33.051 -16.436 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.653 32.879 -16.324 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.709 31.941 -15.241 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.798 31.366 -17.407 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.218 30.088 -16.313 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.123 29.862 -18.076 1.00 0.00 H new ATOM 1108 N GLY A 67 0.249 27.467 -15.575 1.00 0.00 N ATOM 1109 CA GLY A 67 -0.775 26.447 -15.593 1.00 0.00 C ATOM 1110 C GLY A 67 -0.143 25.116 -15.960 1.00 0.00 C ATOM 1111 O GLY A 67 1.062 25.033 -16.213 1.00 0.00 O ATOM 0 H GLY A 67 1.192 27.082 -15.521 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.255 26.379 -14.617 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.551 26.706 -16.313 1.00 0.00 H new ATOM 1115 N MET A 68 -0.958 24.067 -15.978 1.00 0.00 N ATOM 1116 CA MET A 68 -0.552 22.775 -16.520 1.00 0.00 C ATOM 1117 C MET A 68 -0.230 22.942 -18.009 1.00 0.00 C ATOM 1118 O MET A 68 -0.813 23.791 -18.693 1.00 0.00 O ATOM 1119 CB MET A 68 -1.662 21.728 -16.325 1.00 0.00 C ATOM 1120 CG MET A 68 -1.890 21.344 -14.856 1.00 0.00 C ATOM 1121 SD MET A 68 -0.554 20.400 -14.063 1.00 0.00 S ATOM 1122 CE MET A 68 -0.796 18.770 -14.825 1.00 0.00 C ATOM 0 H MET A 68 -1.913 24.087 -15.620 1.00 0.00 H new ATOM 0 HA MET A 68 0.333 22.423 -15.990 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.593 22.115 -16.740 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.409 20.832 -16.892 1.00 0.00 H new ATOM 0 HG2 MET A 68 -2.052 22.257 -14.283 1.00 0.00 H new ATOM 0 HG3 MET A 68 -2.808 20.760 -14.792 1.00 0.00 H new ATOM 0 HE1 MET A 68 -0.073 18.065 -14.414 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.806 18.417 -14.616 1.00 0.00 H new ATOM 0 HE3 MET A 68 -0.654 18.848 -15.903 1.00 0.00 H new ATOM 1132 N ALA A 69 0.691 22.118 -18.512 1.00 0.00 N ATOM 1133 CA ALA A 69 0.957 21.990 -19.942 1.00 0.00 C ATOM 1134 C ALA A 69 -0.309 21.466 -20.646 1.00 0.00 C ATOM 1135 O ALA A 69 -1.205 20.961 -19.962 1.00 0.00 O ATOM 1136 CB ALA A 69 2.130 21.023 -20.112 1.00 0.00 C ATOM 0 H ALA A 69 1.277 21.517 -17.932 1.00 0.00 H new ATOM 0 HA ALA A 69 1.215 22.950 -20.388 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.354 20.906 -21.172 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.006 21.419 -19.598 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.867 20.054 -19.687 1.00 0.00 H new ATOM 1142 N PRO A 70 -0.418 21.528 -21.985 1.00 0.00 N ATOM 1143 CA PRO A 70 -1.515 20.871 -22.680 1.00 0.00 C ATOM 1144 C PRO A 70 -1.484 19.361 -22.416 1.00 0.00 C ATOM 1145 O PRO A 70 -0.417 18.746 -22.316 1.00 0.00 O ATOM 1146 CB PRO A 70 -1.350 21.217 -24.163 1.00 0.00 C ATOM 1147 CG PRO A 70 0.132 21.562 -24.290 1.00 0.00 C ATOM 1148 CD PRO A 70 0.465 22.186 -22.935 1.00 0.00 C ATOM 0 HA PRO A 70 -2.489 21.211 -22.328 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -1.622 20.378 -24.803 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.983 22.056 -24.451 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.736 20.676 -24.484 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.314 22.258 -25.109 1.00 0.00 H new ATOM 0 HD2 PRO A 70 1.512 22.027 -22.675 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.299 23.263 -22.946 1.00 0.00 H new ATOM 1156 N ASP A 71 -2.673 18.761 -22.344 1.00 0.00 N ATOM 1157 CA ASP A 71 -2.852 17.340 -22.045 1.00 0.00 C ATOM 1158 C ASP A 71 -2.134 16.448 -23.061 1.00 0.00 C ATOM 1159 O ASP A 71 -1.680 15.364 -22.705 1.00 0.00 O ATOM 1160 CB ASP A 71 -4.344 16.975 -21.977 1.00 0.00 C ATOM 1161 CG ASP A 71 -4.984 16.805 -23.368 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -5.331 17.832 -23.996 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -5.160 15.660 -23.838 1.00 0.00 O ATOM 0 H ASP A 71 -3.552 19.256 -22.494 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.403 17.161 -21.068 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.461 16.049 -21.413 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.878 17.751 -21.429 1.00 0.00 H new ATOM 1168 N ASP A 72 -1.964 16.928 -24.297 1.00 0.00 N ATOM 1169 CA ASP A 72 -1.299 16.215 -25.386 1.00 0.00 C ATOM 1170 C ASP A 72 0.171 15.903 -25.080 1.00 0.00 C ATOM 1171 O ASP A 72 0.724 14.944 -25.619 1.00 0.00 O ATOM 1172 CB ASP A 72 -1.396 17.047 -26.670 1.00 0.00 C ATOM 1173 CG ASP A 72 -0.718 16.343 -27.859 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -1.258 15.327 -28.353 1.00 0.00 O ATOM 1175 OD2 ASP A 72 0.326 16.833 -28.343 1.00 0.00 O ATOM 0 H ASP A 72 -2.296 17.852 -24.573 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.808 15.259 -25.510 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.444 17.231 -26.906 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.930 18.019 -26.509 1.00 0.00 H new ATOM 1180 N GLU A 73 0.802 16.678 -24.193 1.00 0.00 N ATOM 1181 CA GLU A 73 2.179 16.449 -23.762 1.00 0.00 C ATOM 1182 C GLU A 73 2.228 15.642 -22.456 1.00 0.00 C ATOM 1183 O GLU A 73 3.302 15.191 -22.059 1.00 0.00 O ATOM 1184 CB GLU A 73 2.918 17.791 -23.612 1.00 0.00 C ATOM 1185 CG GLU A 73 3.116 18.484 -24.969 1.00 0.00 C ATOM 1186 CD GLU A 73 4.081 19.680 -24.869 1.00 0.00 C ATOM 1187 OE1 GLU A 73 5.316 19.470 -24.868 1.00 0.00 O ATOM 1188 OE2 GLU A 73 3.620 20.843 -24.834 1.00 0.00 O ATOM 0 H GLU A 73 0.366 17.488 -23.752 1.00 0.00 H new ATOM 0 HA GLU A 73 2.684 15.859 -24.527 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.353 18.445 -22.948 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.888 17.622 -23.144 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.503 17.765 -25.691 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.152 18.826 -25.346 1.00 0.00 H new ATOM 1195 N CYS A 74 1.084 15.407 -21.803 1.00 0.00 N ATOM 1196 CA CYS A 74 1.014 14.846 -20.456 1.00 0.00 C ATOM 1197 C CYS A 74 0.570 13.376 -20.453 1.00 0.00 C ATOM 1198 O CYS A 74 0.016 12.890 -19.466 1.00 0.00 O ATOM 1199 CB CYS A 74 0.115 15.725 -19.581 1.00 0.00 C ATOM 1200 SG CYS A 74 0.767 17.420 -19.509 1.00 0.00 S ATOM 0 H CYS A 74 0.168 15.606 -22.205 1.00 0.00 H new ATOM 0 HA CYS A 74 2.018 14.845 -20.033 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.898 15.735 -19.983 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.055 15.308 -18.576 1.00 0.00 H new ATOM 0 HG CYS A 74 0.383 18.078 -20.563 1.00 0.00 H new ATOM 1206 N LEU A 75 0.784 12.660 -21.562 1.00 0.00 N ATOM 1207 CA LEU A 75 0.388 11.257 -21.713 1.00 0.00 C ATOM 1208 C LEU A 75 1.278 10.314 -20.898 1.00 0.00 C ATOM 1209 O LEU A 75 0.876 9.177 -20.647 1.00 0.00 O ATOM 1210 CB LEU A 75 0.431 10.841 -23.200 1.00 0.00 C ATOM 1211 CG LEU A 75 -0.903 10.938 -23.964 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -1.959 9.971 -23.414 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -1.467 12.359 -23.997 1.00 0.00 C ATOM 0 H LEU A 75 1.242 13.043 -22.389 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.630 11.173 -21.334 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.166 11.463 -23.710 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.788 9.813 -23.260 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.668 10.648 -24.988 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.882 10.077 -23.985 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.595 8.947 -23.499 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.152 10.201 -22.366 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.407 12.365 -24.549 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.642 12.705 -22.978 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.754 13.022 -24.488 1.00 0.00 H new ATOM 1225 N LYS A 76 2.482 10.755 -20.515 1.00 0.00 N ATOM 1226 CA LYS A 76 3.503 9.892 -19.912 1.00 0.00 C ATOM 1227 C LYS A 76 4.027 10.430 -18.583 1.00 0.00 C ATOM 1228 O LYS A 76 4.567 9.654 -17.795 1.00 0.00 O ATOM 1229 CB LYS A 76 4.664 9.673 -20.899 1.00 0.00 C ATOM 1230 CG LYS A 76 4.229 8.937 -22.178 1.00 0.00 C ATOM 1231 CD LYS A 76 5.431 8.658 -23.091 1.00 0.00 C ATOM 1232 CE LYS A 76 4.971 7.921 -24.357 1.00 0.00 C ATOM 1233 NZ LYS A 76 6.099 7.622 -25.274 1.00 0.00 N ATOM 0 H LYS A 76 2.776 11.726 -20.616 1.00 0.00 H new ATOM 0 HA LYS A 76 3.023 8.938 -19.695 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.092 10.638 -21.169 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.451 9.102 -20.406 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.744 7.998 -21.913 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.493 9.536 -22.714 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.917 9.595 -23.362 1.00 0.00 H new ATOM 0 HD3 LYS A 76 6.170 8.058 -22.560 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.478 6.991 -24.075 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.231 8.527 -24.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.741 7.124 -26.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.554 8.510 -25.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.793 7.021 -24.786 1.00 0.00 H new ATOM 1247 N ASP A 77 3.872 11.725 -18.316 1.00 0.00 N ATOM 1248 CA ASP A 77 4.328 12.390 -17.095 1.00 0.00 C ATOM 1249 C ASP A 77 3.584 13.724 -17.009 1.00 0.00 C ATOM 1250 O ASP A 77 3.026 14.171 -18.015 1.00 0.00 O ATOM 1251 CB ASP A 77 5.851 12.611 -17.160 1.00 0.00 C ATOM 1252 CG ASP A 77 6.473 13.122 -15.851 1.00 0.00 C ATOM 1253 OD1 ASP A 77 5.828 13.043 -14.783 1.00 0.00 O ATOM 1254 OD2 ASP A 77 7.647 13.552 -15.889 1.00 0.00 O ATOM 0 H ASP A 77 3.410 12.362 -18.965 1.00 0.00 H new ATOM 0 HA ASP A 77 4.123 11.786 -16.211 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.331 11.672 -17.434 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.069 13.324 -17.955 1.00 0.00 H new ATOM 1259 N MET A 78 3.525 14.350 -15.838 1.00 0.00 N ATOM 1260 CA MET A 78 2.835 15.621 -15.635 1.00 0.00 C ATOM 1261 C MET A 78 3.791 16.795 -15.900 1.00 0.00 C ATOM 1262 O MET A 78 4.954 16.767 -15.487 1.00 0.00 O ATOM 1263 CB MET A 78 2.302 15.658 -14.197 1.00 0.00 C ATOM 1264 CG MET A 78 1.032 14.824 -13.956 1.00 0.00 C ATOM 1265 SD MET A 78 0.970 13.083 -14.491 1.00 0.00 S ATOM 1266 CE MET A 78 0.122 13.231 -16.084 1.00 0.00 C ATOM 0 H MET A 78 3.961 13.985 -14.991 1.00 0.00 H new ATOM 0 HA MET A 78 2.003 15.713 -16.333 1.00 0.00 H new ATOM 0 HB2 MET A 78 3.084 15.304 -13.526 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.096 16.694 -13.928 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.831 14.841 -12.885 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.206 15.343 -14.443 1.00 0.00 H new ATOM 0 HE1 MET A 78 0.184 12.283 -16.619 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.925 13.486 -15.917 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.596 14.014 -16.677 1.00 0.00 H new ATOM 1276 N TYR A 79 3.293 17.871 -16.523 1.00 0.00 N ATOM 1277 CA TYR A 79 4.090 19.034 -16.919 1.00 0.00 C ATOM 1278 C TYR A 79 3.304 20.326 -16.681 1.00 0.00 C ATOM 1279 O TYR A 79 2.071 20.319 -16.642 1.00 0.00 O ATOM 1280 CB TYR A 79 4.484 18.942 -18.405 1.00 0.00 C ATOM 1281 CG TYR A 79 5.334 17.758 -18.829 1.00 0.00 C ATOM 1282 CD1 TYR A 79 4.709 16.554 -19.198 1.00 0.00 C ATOM 1283 CD2 TYR A 79 6.733 17.880 -18.945 1.00 0.00 C ATOM 1284 CE1 TYR A 79 5.470 15.465 -19.652 1.00 0.00 C ATOM 1285 CE2 TYR A 79 7.502 16.796 -19.411 1.00 0.00 C ATOM 1286 CZ TYR A 79 6.874 15.576 -19.755 1.00 0.00 C ATOM 1287 OH TYR A 79 7.620 14.521 -20.192 1.00 0.00 O ATOM 0 H TYR A 79 2.307 17.957 -16.769 1.00 0.00 H new ATOM 0 HA TYR A 79 4.995 19.045 -16.311 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.568 18.929 -18.996 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.020 19.854 -18.669 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.635 16.466 -19.132 1.00 0.00 H new ATOM 0 HD2 TYR A 79 7.217 18.807 -18.676 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.981 14.541 -19.923 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.573 16.896 -19.506 1.00 0.00 H new ATOM 0 HH TYR A 79 8.567 14.772 -20.202 1.00 0.00 H new ATOM 1297 N VAL A 80 4.028 21.438 -16.566 1.00 0.00 N ATOM 1298 CA VAL A 80 3.502 22.765 -16.278 1.00 0.00 C ATOM 1299 C VAL A 80 4.197 23.756 -17.212 1.00 0.00 C ATOM 1300 O VAL A 80 5.378 23.583 -17.525 1.00 0.00 O ATOM 1301 CB VAL A 80 3.712 23.167 -14.801 1.00 0.00 C ATOM 1302 CG1 VAL A 80 2.559 22.645 -13.936 1.00 0.00 C ATOM 1303 CG2 VAL A 80 5.062 22.707 -14.226 1.00 0.00 C ATOM 0 H VAL A 80 5.042 21.435 -16.676 1.00 0.00 H new ATOM 0 HA VAL A 80 2.425 22.768 -16.445 1.00 0.00 H new ATOM 0 HB VAL A 80 3.724 24.257 -14.779 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.722 22.936 -12.898 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.619 23.069 -14.289 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.516 21.558 -14.005 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.141 23.023 -13.186 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.130 21.620 -14.281 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.873 23.151 -14.803 1.00 0.00 H new ATOM 1313 N GLU A 81 3.484 24.785 -17.663 1.00 0.00 N ATOM 1314 CA GLU A 81 4.086 25.910 -18.369 1.00 0.00 C ATOM 1315 C GLU A 81 4.671 26.830 -17.298 1.00 0.00 C ATOM 1316 O GLU A 81 3.999 27.101 -16.298 1.00 0.00 O ATOM 1317 CB GLU A 81 3.038 26.670 -19.195 1.00 0.00 C ATOM 1318 CG GLU A 81 2.470 25.823 -20.339 1.00 0.00 C ATOM 1319 CD GLU A 81 1.578 26.663 -21.271 1.00 0.00 C ATOM 1320 OE1 GLU A 81 0.396 26.908 -20.941 1.00 0.00 O ATOM 1321 OE2 GLU A 81 2.048 27.077 -22.356 1.00 0.00 O ATOM 0 H GLU A 81 2.473 24.861 -17.549 1.00 0.00 H new ATOM 0 HA GLU A 81 4.850 25.561 -19.063 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.224 26.986 -18.542 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.488 27.574 -19.605 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.288 25.387 -20.912 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.892 24.995 -19.928 1.00 0.00 H new ATOM 1328 N VAL A 82 5.895 27.321 -17.491 1.00 0.00 N ATOM 1329 CA VAL A 82 6.606 28.111 -16.488 1.00 0.00 C ATOM 1330 C VAL A 82 7.364 29.256 -17.159 1.00 0.00 C ATOM 1331 O VAL A 82 7.794 29.123 -18.303 1.00 0.00 O ATOM 1332 CB VAL A 82 7.533 27.214 -15.631 1.00 0.00 C ATOM 1333 CG1 VAL A 82 6.797 26.037 -14.973 1.00 0.00 C ATOM 1334 CG2 VAL A 82 8.740 26.646 -16.394 1.00 0.00 C ATOM 0 H VAL A 82 6.423 27.181 -18.352 1.00 0.00 H new ATOM 0 HA VAL A 82 5.880 28.553 -15.805 1.00 0.00 H new ATOM 0 HB VAL A 82 7.893 27.900 -14.865 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.503 25.448 -14.387 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.012 26.418 -14.320 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.353 25.408 -15.745 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.338 26.030 -15.722 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.390 26.039 -17.229 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.350 27.466 -16.773 1.00 0.00 H new ATOM 1344 N ALA A 83 7.581 30.361 -16.451 1.00 0.00 N ATOM 1345 CA ALA A 83 8.371 31.496 -16.908 1.00 0.00 C ATOM 1346 C ALA A 83 9.426 31.767 -15.844 1.00 0.00 C ATOM 1347 O ALA A 83 9.137 31.704 -14.647 1.00 0.00 O ATOM 1348 CB ALA A 83 7.473 32.719 -17.121 1.00 0.00 C ATOM 0 H ALA A 83 7.199 30.493 -15.514 1.00 0.00 H new ATOM 0 HA ALA A 83 8.848 31.280 -17.864 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.078 33.559 -17.462 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.716 32.488 -17.871 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.986 32.981 -16.182 1.00 0.00 H new ATOM 1354 N ASP A 84 10.655 32.029 -16.277 1.00 0.00 N ATOM 1355 CA ASP A 84 11.781 32.251 -15.373 1.00 0.00 C ATOM 1356 C ASP A 84 11.645 33.599 -14.671 1.00 0.00 C ATOM 1357 O ASP A 84 11.520 34.629 -15.332 1.00 0.00 O ATOM 1358 CB ASP A 84 13.093 32.215 -16.160 1.00 0.00 C ATOM 1359 CG ASP A 84 14.274 32.634 -15.280 1.00 0.00 C ATOM 1360 OD1 ASP A 84 14.412 32.104 -14.158 1.00 0.00 O ATOM 1361 OD2 ASP A 84 15.036 33.528 -15.705 1.00 0.00 O ATOM 0 H ASP A 84 10.900 32.094 -17.265 1.00 0.00 H new ATOM 0 HA ASP A 84 11.784 31.461 -14.622 1.00 0.00 H new ATOM 0 HB2 ASP A 84 13.262 31.210 -16.546 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.023 32.880 -17.021 1.00 0.00 H new ATOM 1366 N ILE A 85 11.695 33.604 -13.338 1.00 0.00 N ATOM 1367 CA ILE A 85 11.671 34.829 -12.542 1.00 0.00 C ATOM 1368 C ILE A 85 13.098 35.411 -12.460 1.00 0.00 C ATOM 1369 O ILE A 85 13.253 36.615 -12.249 1.00 0.00 O ATOM 1370 CB ILE A 85 11.031 34.546 -11.156 1.00 0.00 C ATOM 1371 CG1 ILE A 85 9.589 33.999 -11.307 1.00 0.00 C ATOM 1372 CG2 ILE A 85 10.960 35.803 -10.272 1.00 0.00 C ATOM 1373 CD1 ILE A 85 8.942 33.557 -9.985 1.00 0.00 C ATOM 0 H ILE A 85 11.754 32.753 -12.779 1.00 0.00 H new ATOM 0 HA ILE A 85 11.047 35.588 -13.015 1.00 0.00 H new ATOM 0 HB ILE A 85 11.676 33.807 -10.681 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.966 34.768 -11.764 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.604 33.152 -11.993 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.504 35.549 -9.315 1.00 0.00 H new ATOM 0 HG22 ILE A 85 11.966 36.187 -10.104 1.00 0.00 H new ATOM 0 HG23 ILE A 85 10.359 36.564 -10.770 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.935 33.187 -10.178 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.539 32.764 -9.535 1.00 0.00 H new ATOM 0 HD13 ILE A 85 8.892 34.406 -9.303 1.00 0.00 H new ATOM 1385 N GLY A 86 14.142 34.591 -12.654 1.00 0.00 N ATOM 1386 CA GLY A 86 15.539 34.998 -12.536 1.00 0.00 C ATOM 1387 C GLY A 86 15.894 36.157 -13.470 1.00 0.00 C ATOM 1388 O GLY A 86 16.539 37.115 -13.037 1.00 0.00 O ATOM 0 H GLY A 86 14.030 33.608 -12.902 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.743 35.291 -11.506 1.00 0.00 H new ATOM 0 HA3 GLY A 86 16.182 34.146 -12.759 1.00 0.00 H new ATOM 1392 N GLY A 87 15.437 36.108 -14.724 1.00 0.00 N ATOM 1393 CA GLY A 87 15.616 37.192 -15.680 1.00 0.00 C ATOM 1394 C GLY A 87 14.973 36.947 -17.044 1.00 0.00 C ATOM 1395 O GLY A 87 14.570 37.910 -17.697 1.00 0.00 O ATOM 0 H GLY A 87 14.930 35.308 -15.102 1.00 0.00 H new ATOM 0 HA2 GLY A 87 15.201 38.106 -15.256 1.00 0.00 H new ATOM 0 HA3 GLY A 87 16.683 37.363 -15.821 1.00 0.00 H new ATOM 1399 N LYS A 88 14.815 35.693 -17.482 1.00 0.00 N ATOM 1400 CA LYS A 88 14.249 35.351 -18.793 1.00 0.00 C ATOM 1401 C LYS A 88 12.712 35.364 -18.758 1.00 0.00 C ATOM 1402 O LYS A 88 12.065 34.552 -19.416 1.00 0.00 O ATOM 1403 CB LYS A 88 14.826 34.010 -19.298 1.00 0.00 C ATOM 1404 CG LYS A 88 16.363 33.925 -19.345 1.00 0.00 C ATOM 1405 CD LYS A 88 17.007 34.987 -20.252 1.00 0.00 C ATOM 1406 CE LYS A 88 18.538 34.854 -20.316 1.00 0.00 C ATOM 1407 NZ LYS A 88 18.990 33.632 -21.029 1.00 0.00 N ATOM 0 H LYS A 88 15.079 34.877 -16.930 1.00 0.00 H new ATOM 0 HA LYS A 88 14.543 36.116 -19.512 1.00 0.00 H new ATOM 0 HB2 LYS A 88 14.455 33.210 -18.657 1.00 0.00 H new ATOM 0 HB3 LYS A 88 14.438 33.822 -20.299 1.00 0.00 H new ATOM 0 HG2 LYS A 88 16.756 34.034 -18.334 1.00 0.00 H new ATOM 0 HG3 LYS A 88 16.654 32.935 -19.695 1.00 0.00 H new ATOM 0 HD2 LYS A 88 16.595 34.900 -21.257 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.746 35.980 -19.886 1.00 0.00 H new ATOM 0 HE2 LYS A 88 18.952 35.731 -20.813 1.00 0.00 H new ATOM 0 HE3 LYS A 88 18.938 34.844 -19.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 20.029 33.609 -21.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 18.636 32.789 -20.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 18.621 33.641 -22.001 1.00 0.00 H new ATOM 1421 N ASP A 89 12.120 36.287 -17.997 1.00 0.00 N ATOM 1422 CA ASP A 89 10.670 36.480 -17.883 1.00 0.00 C ATOM 1423 C ASP A 89 10.033 36.837 -19.234 1.00 0.00 C ATOM 1424 O ASP A 89 8.842 36.617 -19.447 1.00 0.00 O ATOM 1425 CB ASP A 89 10.392 37.594 -16.866 1.00 0.00 C ATOM 1426 CG ASP A 89 8.890 37.904 -16.747 1.00 0.00 C ATOM 1427 OD1 ASP A 89 8.139 37.084 -16.173 1.00 0.00 O ATOM 1428 OD2 ASP A 89 8.461 38.997 -17.181 1.00 0.00 O ATOM 0 H ASP A 89 12.652 36.942 -17.424 1.00 0.00 H new ATOM 0 HA ASP A 89 10.225 35.542 -17.549 1.00 0.00 H new ATOM 0 HB2 ASP A 89 10.780 37.300 -15.891 1.00 0.00 H new ATOM 0 HB3 ASP A 89 10.926 38.497 -17.162 1.00 0.00 H new ATOM 1433 N ASP A 90 10.840 37.362 -20.163 1.00 0.00 N ATOM 1434 CA ASP A 90 10.457 37.676 -21.540 1.00 0.00 C ATOM 1435 C ASP A 90 10.071 36.429 -22.357 1.00 0.00 C ATOM 1436 O ASP A 90 9.513 36.560 -23.448 1.00 0.00 O ATOM 1437 CB ASP A 90 11.622 38.416 -22.214 1.00 0.00 C ATOM 1438 CG ASP A 90 11.282 38.879 -23.642 1.00 0.00 C ATOM 1439 OD1 ASP A 90 10.396 39.748 -23.808 1.00 0.00 O ATOM 1440 OD2 ASP A 90 11.944 38.426 -24.604 1.00 0.00 O ATOM 0 H ASP A 90 11.815 37.588 -19.966 1.00 0.00 H new ATOM 0 HA ASP A 90 9.567 38.304 -21.507 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.895 39.282 -21.611 1.00 0.00 H new ATOM 0 HB3 ASP A 90 12.493 37.762 -22.246 1.00 0.00 H new ATOM 1445 N ASP A 91 10.334 35.220 -21.849 1.00 0.00 N ATOM 1446 CA ASP A 91 10.068 33.953 -22.527 1.00 0.00 C ATOM 1447 C ASP A 91 9.432 32.957 -21.547 1.00 0.00 C ATOM 1448 O ASP A 91 9.422 33.176 -20.333 1.00 0.00 O ATOM 1449 CB ASP A 91 11.375 33.410 -23.133 1.00 0.00 C ATOM 1450 CG ASP A 91 11.162 32.225 -24.094 1.00 0.00 C ATOM 1451 OD1 ASP A 91 10.059 32.085 -24.669 1.00 0.00 O ATOM 1452 OD2 ASP A 91 12.122 31.454 -24.320 1.00 0.00 O ATOM 0 H ASP A 91 10.751 35.096 -20.926 1.00 0.00 H new ATOM 0 HA ASP A 91 9.360 34.107 -23.341 1.00 0.00 H new ATOM 0 HB2 ASP A 91 11.880 34.215 -23.668 1.00 0.00 H new ATOM 0 HB3 ASP A 91 12.038 33.098 -22.326 1.00 0.00 H new ATOM 1457 N VAL A 92 8.876 31.868 -22.074 1.00 0.00 N ATOM 1458 CA VAL A 92 8.105 30.877 -21.333 1.00 0.00 C ATOM 1459 C VAL A 92 8.556 29.493 -21.820 1.00 0.00 C ATOM 1460 O VAL A 92 8.988 29.322 -22.965 1.00 0.00 O ATOM 1461 CB VAL A 92 6.584 31.107 -21.526 1.00 0.00 C ATOM 1462 CG1 VAL A 92 5.738 30.307 -20.523 1.00 0.00 C ATOM 1463 CG2 VAL A 92 6.162 32.584 -21.394 1.00 0.00 C ATOM 0 H VAL A 92 8.954 31.645 -23.066 1.00 0.00 H new ATOM 0 HA VAL A 92 8.284 30.960 -20.261 1.00 0.00 H new ATOM 0 HB VAL A 92 6.399 30.766 -22.545 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.681 30.503 -20.701 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.935 29.242 -20.648 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.997 30.607 -19.508 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.085 32.669 -21.541 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.423 32.950 -20.401 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.679 33.179 -22.147 1.00 0.00 H new ATOM 1473 N TYR A 93 8.447 28.514 -20.932 1.00 0.00 N ATOM 1474 CA TYR A 93 8.989 27.174 -21.056 1.00 0.00 C ATOM 1475 C TYR A 93 7.945 26.166 -20.567 1.00 0.00 C ATOM 1476 O TYR A 93 6.879 26.540 -20.073 1.00 0.00 O ATOM 1477 CB TYR A 93 10.272 27.084 -20.202 1.00 0.00 C ATOM 1478 CG TYR A 93 11.300 28.176 -20.455 1.00 0.00 C ATOM 1479 CD1 TYR A 93 12.265 28.014 -21.468 1.00 0.00 C ATOM 1480 CD2 TYR A 93 11.284 29.358 -19.686 1.00 0.00 C ATOM 1481 CE1 TYR A 93 13.211 29.025 -21.713 1.00 0.00 C ATOM 1482 CE2 TYR A 93 12.221 30.378 -19.932 1.00 0.00 C ATOM 1483 CZ TYR A 93 13.192 30.214 -20.946 1.00 0.00 C ATOM 1484 OH TYR A 93 14.108 31.198 -21.169 1.00 0.00 O ATOM 0 H TYR A 93 7.946 28.646 -20.053 1.00 0.00 H new ATOM 0 HA TYR A 93 9.232 26.949 -22.095 1.00 0.00 H new ATOM 0 HB2 TYR A 93 9.990 27.110 -19.149 1.00 0.00 H new ATOM 0 HB3 TYR A 93 10.742 26.117 -20.383 1.00 0.00 H new ATOM 0 HD1 TYR A 93 12.278 27.110 -22.059 1.00 0.00 H new ATOM 0 HD2 TYR A 93 10.549 29.481 -18.904 1.00 0.00 H new ATOM 0 HE1 TYR A 93 13.953 28.894 -22.487 1.00 0.00 H new ATOM 0 HE2 TYR A 93 12.198 31.285 -19.347 1.00 0.00 H new ATOM 0 HH TYR A 93 14.375 31.189 -22.112 1.00 0.00 H new ATOM 1494 N THR A 94 8.289 24.885 -20.649 1.00 0.00 N ATOM 1495 CA THR A 94 7.523 23.794 -20.065 1.00 0.00 C ATOM 1496 C THR A 94 8.502 22.984 -19.220 1.00 0.00 C ATOM 1497 O THR A 94 9.631 22.721 -19.645 1.00 0.00 O ATOM 1498 CB THR A 94 6.838 22.964 -21.169 1.00 0.00 C ATOM 1499 OG1 THR A 94 6.203 23.803 -22.119 1.00 0.00 O ATOM 1500 CG2 THR A 94 5.773 22.029 -20.592 1.00 0.00 C ATOM 0 H THR A 94 9.129 24.571 -21.135 1.00 0.00 H new ATOM 0 HA THR A 94 6.711 24.153 -19.432 1.00 0.00 H new ATOM 0 HB THR A 94 7.625 22.380 -21.645 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.778 23.252 -22.809 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.312 21.460 -21.400 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.237 21.343 -19.884 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.011 22.617 -20.081 1.00 0.00 H new ATOM 1508 N ALA A 95 8.069 22.616 -18.017 1.00 0.00 N ATOM 1509 CA ALA A 95 8.854 21.891 -17.034 1.00 0.00 C ATOM 1510 C ALA A 95 8.035 20.695 -16.576 1.00 0.00 C ATOM 1511 O ALA A 95 6.802 20.745 -16.586 1.00 0.00 O ATOM 1512 CB ALA A 95 9.150 22.818 -15.849 1.00 0.00 C ATOM 0 H ALA A 95 7.125 22.825 -17.692 1.00 0.00 H new ATOM 0 HA ALA A 95 9.800 21.553 -17.458 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.739 22.281 -15.106 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.709 23.687 -16.197 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.212 23.146 -15.401 1.00 0.00 H new ATOM 1518 N LYS A 96 8.697 19.616 -16.156 1.00 0.00 N ATOM 1519 CA LYS A 96 8.008 18.527 -15.498 1.00 0.00 C ATOM 1520 C LYS A 96 7.458 19.105 -14.207 1.00 0.00 C ATOM 1521 O LYS A 96 8.208 19.656 -13.400 1.00 0.00 O ATOM 1522 CB LYS A 96 8.977 17.376 -15.216 1.00 0.00 C ATOM 1523 CG LYS A 96 9.368 16.631 -16.499 1.00 0.00 C ATOM 1524 CD LYS A 96 10.391 15.535 -16.194 1.00 0.00 C ATOM 1525 CE LYS A 96 11.814 16.092 -16.051 1.00 0.00 C ATOM 1526 NZ LYS A 96 12.638 15.261 -15.148 1.00 0.00 N ATOM 0 H LYS A 96 9.702 19.482 -16.263 1.00 0.00 H new ATOM 0 HA LYS A 96 7.210 18.119 -16.118 1.00 0.00 H new ATOM 0 HB2 LYS A 96 9.874 17.766 -14.735 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.518 16.678 -14.516 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.481 16.191 -16.956 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.784 17.333 -17.222 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.109 15.023 -15.274 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.372 14.791 -16.991 1.00 0.00 H new ATOM 0 HE2 LYS A 96 12.286 16.141 -17.032 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.769 17.111 -15.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 13.645 15.459 -15.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.402 15.484 -14.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.447 14.255 -15.331 1.00 0.00 H new ATOM 1540 N LEU A 97 6.161 18.941 -13.982 1.00 0.00 N ATOM 1541 CA LEU A 97 5.556 19.247 -12.691 1.00 0.00 C ATOM 1542 C LEU A 97 6.156 18.303 -11.635 1.00 0.00 C ATOM 1543 O LEU A 97 6.265 18.635 -10.459 1.00 0.00 O ATOM 1544 CB LEU A 97 4.032 19.130 -12.859 1.00 0.00 C ATOM 1545 CG LEU A 97 3.133 19.659 -11.724 1.00 0.00 C ATOM 1546 CD1 LEU A 97 2.758 18.548 -10.758 1.00 0.00 C ATOM 1547 CD2 LEU A 97 3.687 20.854 -10.937 1.00 0.00 C ATOM 0 H LEU A 97 5.504 18.596 -14.681 1.00 0.00 H new ATOM 0 HA LEU A 97 5.765 20.259 -12.344 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.756 19.654 -13.774 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.793 18.077 -13.010 1.00 0.00 H new ATOM 0 HG LEU A 97 2.252 20.033 -12.245 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.124 18.951 -9.968 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.218 17.767 -11.294 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.662 18.128 -10.318 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.974 21.143 -10.165 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.633 20.576 -10.472 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.848 21.693 -11.614 1.00 0.00 H new ATOM 1559 N SER A 98 6.654 17.159 -12.099 1.00 0.00 N ATOM 1560 CA SER A 98 7.387 16.149 -11.353 1.00 0.00 C ATOM 1561 C SER A 98 8.796 16.619 -10.922 1.00 0.00 C ATOM 1562 O SER A 98 9.468 15.912 -10.173 1.00 0.00 O ATOM 1563 CB SER A 98 7.433 14.907 -12.258 1.00 0.00 C ATOM 1564 OG SER A 98 6.148 14.718 -12.832 1.00 0.00 O ATOM 0 H SER A 98 6.545 16.898 -13.079 1.00 0.00 H new ATOM 0 HA SER A 98 6.886 15.930 -10.410 1.00 0.00 H new ATOM 0 HB2 SER A 98 8.182 15.036 -13.040 1.00 0.00 H new ATOM 0 HB3 SER A 98 7.723 14.029 -11.681 1.00 0.00 H new ATOM 0 HG SER A 98 6.242 14.310 -13.718 1.00 0.00 H new ATOM 1570 N ASP A 99 9.224 17.818 -11.344 1.00 0.00 N ATOM 1571 CA ASP A 99 10.500 18.450 -10.988 1.00 0.00 C ATOM 1572 C ASP A 99 10.225 19.833 -10.365 1.00 0.00 C ATOM 1573 O ASP A 99 11.142 20.639 -10.217 1.00 0.00 O ATOM 1574 CB ASP A 99 11.428 18.588 -12.222 1.00 0.00 C ATOM 1575 CG ASP A 99 12.184 17.321 -12.653 1.00 0.00 C ATOM 1576 OD1 ASP A 99 11.586 16.227 -12.754 1.00 0.00 O ATOM 1577 OD2 ASP A 99 13.377 17.439 -13.015 1.00 0.00 O ATOM 0 H ASP A 99 8.665 18.398 -11.970 1.00 0.00 H new ATOM 0 HA ASP A 99 11.012 17.816 -10.264 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.827 18.931 -13.065 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.160 19.368 -12.014 1.00 0.00 H new ATOM 1582 N ILE A 100 8.978 20.149 -9.997 1.00 0.00 N ATOM 1583 CA ILE A 100 8.585 21.455 -9.471 1.00 0.00 C ATOM 1584 C ILE A 100 8.225 21.298 -8.000 1.00 0.00 C ATOM 1585 O ILE A 100 7.691 20.275 -7.567 1.00 0.00 O ATOM 1586 CB ILE A 100 7.448 22.047 -10.345 1.00 0.00 C ATOM 1587 CG1 ILE A 100 8.071 22.762 -11.563 1.00 0.00 C ATOM 1588 CG2 ILE A 100 6.430 22.952 -9.620 1.00 0.00 C ATOM 1589 CD1 ILE A 100 8.447 24.234 -11.364 1.00 0.00 C ATOM 0 H ILE A 100 8.202 19.490 -10.059 1.00 0.00 H new ATOM 0 HA ILE A 100 9.403 22.173 -9.521 1.00 0.00 H new ATOM 0 HB ILE A 100 6.841 21.197 -10.656 1.00 0.00 H new ATOM 0 HG12 ILE A 100 8.967 22.217 -11.859 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.369 22.697 -12.394 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.685 23.305 -10.333 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.937 22.385 -8.830 1.00 0.00 H new ATOM 0 HG23 ILE A 100 6.948 23.806 -9.184 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.874 24.628 -12.286 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.556 24.805 -11.104 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.179 24.317 -10.560 1.00 0.00 H new ATOM 1601 N GLU A 101 8.499 22.359 -7.250 1.00 0.00 N ATOM 1602 CA GLU A 101 8.175 22.498 -5.841 1.00 0.00 C ATOM 1603 C GLU A 101 7.546 23.883 -5.690 1.00 0.00 C ATOM 1604 O GLU A 101 8.213 24.892 -5.920 1.00 0.00 O ATOM 1605 CB GLU A 101 9.459 22.330 -5.010 1.00 0.00 C ATOM 1606 CG GLU A 101 9.186 22.377 -3.501 1.00 0.00 C ATOM 1607 CD GLU A 101 10.491 22.322 -2.690 1.00 0.00 C ATOM 1608 OE1 GLU A 101 11.149 21.257 -2.654 1.00 0.00 O ATOM 1609 OE2 GLU A 101 10.871 23.340 -2.070 1.00 0.00 O ATOM 0 H GLU A 101 8.974 23.180 -7.627 1.00 0.00 H new ATOM 0 HA GLU A 101 7.477 21.741 -5.483 1.00 0.00 H new ATOM 0 HB2 GLU A 101 9.931 21.380 -5.262 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.166 23.117 -5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 101 8.643 23.290 -3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.546 21.541 -3.220 1.00 0.00 H new ATOM 1616 N ALA A 102 6.249 23.950 -5.376 1.00 0.00 N ATOM 1617 CA ALA A 102 5.561 25.228 -5.244 1.00 0.00 C ATOM 1618 C ALA A 102 6.057 25.977 -4.007 1.00 0.00 C ATOM 1619 O ALA A 102 6.440 25.373 -3.002 1.00 0.00 O ATOM 1620 CB ALA A 102 4.050 25.022 -5.150 1.00 0.00 C ATOM 0 H ALA A 102 5.660 23.134 -5.210 1.00 0.00 H new ATOM 0 HA ALA A 102 5.780 25.822 -6.132 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.556 25.989 -5.052 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.694 24.523 -6.051 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.820 24.407 -4.280 1.00 0.00 H new ATOM 1626 N ILE A 103 5.975 27.302 -4.079 1.00 0.00 N ATOM 1627 CA ILE A 103 6.373 28.225 -3.026 1.00 0.00 C ATOM 1628 C ILE A 103 5.126 29.021 -2.627 1.00 0.00 C ATOM 1629 O ILE A 103 4.426 29.564 -3.484 1.00 0.00 O ATOM 1630 CB ILE A 103 7.523 29.130 -3.536 1.00 0.00 C ATOM 1631 CG1 ILE A 103 8.794 28.314 -3.876 1.00 0.00 C ATOM 1632 CG2 ILE A 103 7.879 30.215 -2.504 1.00 0.00 C ATOM 1633 CD1 ILE A 103 9.821 29.108 -4.694 1.00 0.00 C ATOM 0 H ILE A 103 5.615 27.779 -4.906 1.00 0.00 H new ATOM 0 HA ILE A 103 6.756 27.705 -2.148 1.00 0.00 H new ATOM 0 HB ILE A 103 7.160 29.605 -4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 103 9.259 27.976 -2.950 1.00 0.00 H new ATOM 0 HG13 ILE A 103 8.507 27.422 -4.433 1.00 0.00 H new ATOM 0 HG21 ILE A 103 8.689 30.833 -2.891 1.00 0.00 H new ATOM 0 HG22 ILE A 103 7.005 30.838 -2.315 1.00 0.00 H new ATOM 0 HG23 ILE A 103 8.196 29.743 -1.574 1.00 0.00 H new ATOM 0 HD11 ILE A 103 10.688 28.479 -4.899 1.00 0.00 H new ATOM 0 HD12 ILE A 103 9.371 29.423 -5.635 1.00 0.00 H new ATOM 0 HD13 ILE A 103 10.135 29.986 -4.130 1.00 0.00 H new ATOM 1645 N ASP A 104 4.893 29.110 -1.312 1.00 0.00 N ATOM 1646 CA ASP A 104 3.856 29.929 -0.671 1.00 0.00 C ATOM 1647 C ASP A 104 2.468 29.771 -1.319 1.00 0.00 C ATOM 1648 O ASP A 104 1.732 30.742 -1.513 1.00 0.00 O ATOM 1649 CB ASP A 104 4.335 31.387 -0.567 1.00 0.00 C ATOM 1650 CG ASP A 104 3.398 32.263 0.288 1.00 0.00 C ATOM 1651 OD1 ASP A 104 2.996 31.839 1.396 1.00 0.00 O ATOM 1652 OD2 ASP A 104 3.109 33.414 -0.111 1.00 0.00 O ATOM 0 H ASP A 104 5.448 28.589 -0.634 1.00 0.00 H new ATOM 0 HA ASP A 104 3.707 29.559 0.344 1.00 0.00 H new ATOM 0 HB2 ASP A 104 5.336 31.406 -0.137 1.00 0.00 H new ATOM 0 HB3 ASP A 104 4.410 31.812 -1.568 1.00 0.00 H new ATOM 1657 N VAL A 105 2.124 28.537 -1.702 1.00 0.00 N ATOM 1658 CA VAL A 105 0.875 28.227 -2.400 1.00 0.00 C ATOM 1659 C VAL A 105 -0.193 27.741 -1.404 1.00 0.00 C ATOM 1660 O VAL A 105 0.095 27.545 -0.218 1.00 0.00 O ATOM 1661 CB VAL A 105 1.179 27.270 -3.575 1.00 0.00 C ATOM 1662 CG1 VAL A 105 1.292 25.791 -3.178 1.00 0.00 C ATOM 1663 CG2 VAL A 105 0.204 27.488 -4.735 1.00 0.00 C ATOM 0 H VAL A 105 2.710 27.720 -1.534 1.00 0.00 H new ATOM 0 HA VAL A 105 0.436 29.118 -2.848 1.00 0.00 H new ATOM 0 HB VAL A 105 2.179 27.535 -3.918 1.00 0.00 H new ATOM 0 HG11 VAL A 105 1.506 25.192 -4.063 1.00 0.00 H new ATOM 0 HG12 VAL A 105 2.097 25.669 -2.454 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.353 25.460 -2.735 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.444 26.800 -5.546 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.815 27.305 -4.393 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.288 28.514 -5.093 1.00 0.00 H new ATOM 1673 N ASP A 106 -1.437 27.580 -1.869 1.00 0.00 N ATOM 1674 CA ASP A 106 -2.542 27.099 -1.040 1.00 0.00 C ATOM 1675 C ASP A 106 -2.350 25.625 -0.676 1.00 0.00 C ATOM 1676 O ASP A 106 -1.658 24.878 -1.371 1.00 0.00 O ATOM 1677 CB ASP A 106 -3.907 27.344 -1.711 1.00 0.00 C ATOM 1678 CG ASP A 106 -4.655 26.052 -2.076 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -4.311 25.443 -3.110 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -5.551 25.634 -1.309 1.00 0.00 O ATOM 0 H ASP A 106 -1.704 27.781 -2.833 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.536 27.675 -0.114 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.530 27.938 -1.042 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -3.757 27.935 -2.615 1.00 0.00 H new ATOM 1685 N ASP A 107 -2.999 25.205 0.409 1.00 0.00 N ATOM 1686 CA ASP A 107 -2.878 23.859 0.950 1.00 0.00 C ATOM 1687 C ASP A 107 -3.236 22.773 -0.063 1.00 0.00 C ATOM 1688 O ASP A 107 -2.562 21.748 -0.098 1.00 0.00 O ATOM 1689 CB ASP A 107 -3.757 23.724 2.197 1.00 0.00 C ATOM 1690 CG ASP A 107 -3.676 22.308 2.792 1.00 0.00 C ATOM 1691 OD1 ASP A 107 -2.656 21.980 3.438 1.00 0.00 O ATOM 1692 OD2 ASP A 107 -4.662 21.545 2.677 1.00 0.00 O ATOM 0 H ASP A 107 -3.632 25.802 0.942 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.830 23.711 1.209 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -3.444 24.453 2.945 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -4.791 23.954 1.941 1.00 0.00 H new ATOM 1697 N ASP A 108 -4.252 22.976 -0.907 1.00 0.00 N ATOM 1698 CA ASP A 108 -4.719 21.936 -1.820 1.00 0.00 C ATOM 1699 C ASP A 108 -3.751 21.776 -2.999 1.00 0.00 C ATOM 1700 O ASP A 108 -3.440 20.656 -3.406 1.00 0.00 O ATOM 1701 CB ASP A 108 -6.144 22.265 -2.292 1.00 0.00 C ATOM 1702 CG ASP A 108 -6.959 21.038 -2.743 1.00 0.00 C ATOM 1703 OD1 ASP A 108 -6.593 19.880 -2.442 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -8.042 21.243 -3.337 1.00 0.00 O ATOM 0 H ASP A 108 -4.766 23.854 -0.975 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.746 20.981 -1.296 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.677 22.763 -1.482 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.086 22.973 -3.119 1.00 0.00 H new ATOM 1709 N THR A 109 -3.198 22.887 -3.498 1.00 0.00 N ATOM 1710 CA THR A 109 -2.121 22.895 -4.483 1.00 0.00 C ATOM 1711 C THR A 109 -0.893 22.189 -3.899 1.00 0.00 C ATOM 1712 O THR A 109 -0.319 21.314 -4.552 1.00 0.00 O ATOM 1713 CB THR A 109 -1.809 24.354 -4.893 1.00 0.00 C ATOM 1714 OG1 THR A 109 -3.000 24.998 -5.280 1.00 0.00 O ATOM 1715 CG2 THR A 109 -0.872 24.451 -6.098 1.00 0.00 C ATOM 0 H THR A 109 -3.496 23.822 -3.220 1.00 0.00 H new ATOM 0 HA THR A 109 -2.422 22.354 -5.380 1.00 0.00 H new ATOM 0 HB THR A 109 -1.336 24.813 -4.025 1.00 0.00 H new ATOM 0 HG1 THR A 109 -3.349 25.520 -4.528 1.00 0.00 H new ATOM 0 HG21 THR A 109 -0.692 25.499 -6.336 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.075 23.965 -5.863 1.00 0.00 H new ATOM 0 HG23 THR A 109 -1.330 23.958 -6.956 1.00 0.00 H new ATOM 1723 N GLN A 110 -0.510 22.526 -2.661 1.00 0.00 N ATOM 1724 CA GLN A 110 0.660 21.947 -2.021 1.00 0.00 C ATOM 1725 C GLN A 110 0.458 20.438 -1.841 1.00 0.00 C ATOM 1726 O GLN A 110 1.351 19.666 -2.181 1.00 0.00 O ATOM 1727 CB GLN A 110 0.942 22.673 -0.690 1.00 0.00 C ATOM 1728 CG GLN A 110 2.424 22.646 -0.281 1.00 0.00 C ATOM 1729 CD GLN A 110 2.962 21.240 -0.005 1.00 0.00 C ATOM 1730 OE1 GLN A 110 2.508 20.548 0.903 1.00 0.00 O ATOM 1731 NE2 GLN A 110 3.937 20.785 -0.777 1.00 0.00 N ATOM 0 H GLN A 110 -1.005 23.205 -2.084 1.00 0.00 H new ATOM 0 HA GLN A 110 1.539 22.081 -2.651 1.00 0.00 H new ATOM 0 HB2 GLN A 110 0.615 23.709 -0.774 1.00 0.00 H new ATOM 0 HB3 GLN A 110 0.347 22.214 0.099 1.00 0.00 H new ATOM 0 HG2 GLN A 110 3.018 23.104 -1.072 1.00 0.00 H new ATOM 0 HG3 GLN A 110 2.556 23.257 0.612 1.00 0.00 H new ATOM 0 HE21 GLN A 110 4.307 21.368 -1.528 1.00 0.00 H new ATOM 0 HE22 GLN A 110 4.318 19.852 -0.621 1.00 0.00 H new ATOM 1740 N GLU A 111 -0.715 20.004 -1.371 1.00 0.00 N ATOM 1741 CA GLU A 111 -1.027 18.593 -1.176 1.00 0.00 C ATOM 1742 C GLU A 111 -0.945 17.826 -2.487 1.00 0.00 C ATOM 1743 O GLU A 111 -0.345 16.754 -2.512 1.00 0.00 O ATOM 1744 CB GLU A 111 -2.427 18.422 -0.565 1.00 0.00 C ATOM 1745 CG GLU A 111 -2.424 18.583 0.958 1.00 0.00 C ATOM 1746 CD GLU A 111 -1.741 17.395 1.665 1.00 0.00 C ATOM 1747 OE1 GLU A 111 -2.271 16.261 1.612 1.00 0.00 O ATOM 1748 OE2 GLU A 111 -0.675 17.589 2.292 1.00 0.00 O ATOM 0 H GLU A 111 -1.478 20.630 -1.114 1.00 0.00 H new ATOM 0 HA GLU A 111 -0.286 18.187 -0.487 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.104 19.155 -1.004 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -2.815 17.436 -0.823 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.910 19.507 1.224 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.450 18.675 1.314 1.00 0.00 H new ATOM 1755 N ALA A 112 -1.506 18.369 -3.572 1.00 0.00 N ATOM 1756 CA ALA A 112 -1.476 17.714 -4.871 1.00 0.00 C ATOM 1757 C ALA A 112 -0.033 17.505 -5.335 1.00 0.00 C ATOM 1758 O ALA A 112 0.309 16.422 -5.809 1.00 0.00 O ATOM 1759 CB ALA A 112 -2.261 18.550 -5.884 1.00 0.00 C ATOM 0 H ALA A 112 -1.988 19.268 -3.569 1.00 0.00 H new ATOM 0 HA ALA A 112 -1.943 16.733 -4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -2.238 18.059 -6.857 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.294 18.649 -5.552 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.811 19.539 -5.966 1.00 0.00 H new ATOM 1765 N ILE A 113 0.817 18.524 -5.182 1.00 0.00 N ATOM 1766 CA ILE A 113 2.218 18.443 -5.567 1.00 0.00 C ATOM 1767 C ILE A 113 2.949 17.439 -4.673 1.00 0.00 C ATOM 1768 O ILE A 113 3.603 16.546 -5.201 1.00 0.00 O ATOM 1769 CB ILE A 113 2.834 19.853 -5.531 1.00 0.00 C ATOM 1770 CG1 ILE A 113 2.229 20.681 -6.685 1.00 0.00 C ATOM 1771 CG2 ILE A 113 4.368 19.824 -5.627 1.00 0.00 C ATOM 1772 CD1 ILE A 113 2.406 22.176 -6.461 1.00 0.00 C ATOM 0 H ILE A 113 0.548 19.425 -4.788 1.00 0.00 H new ATOM 0 HA ILE A 113 2.317 18.074 -6.588 1.00 0.00 H new ATOM 0 HB ILE A 113 2.597 20.312 -4.571 1.00 0.00 H new ATOM 0 HG12 ILE A 113 2.703 20.396 -7.624 1.00 0.00 H new ATOM 0 HG13 ILE A 113 1.168 20.451 -6.780 1.00 0.00 H new ATOM 0 HG21 ILE A 113 4.754 20.843 -5.597 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.774 19.258 -4.789 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.665 19.351 -6.563 1.00 0.00 H new ATOM 0 HD11 ILE A 113 1.967 22.723 -7.295 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.910 22.466 -5.535 1.00 0.00 H new ATOM 0 HD13 ILE A 113 3.468 22.410 -6.392 1.00 0.00 H new ATOM 1784 N ALA A 114 2.841 17.552 -3.346 1.00 0.00 N ATOM 1785 CA ALA A 114 3.537 16.664 -2.419 1.00 0.00 C ATOM 1786 C ALA A 114 3.165 15.205 -2.691 1.00 0.00 C ATOM 1787 O ALA A 114 4.043 14.354 -2.831 1.00 0.00 O ATOM 1788 CB ALA A 114 3.191 17.040 -0.973 1.00 0.00 C ATOM 0 H ALA A 114 2.269 18.261 -2.888 1.00 0.00 H new ATOM 0 HA ALA A 114 4.611 16.778 -2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.714 16.373 -0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.496 18.069 -0.782 1.00 0.00 H new ATOM 0 HB3 ALA A 114 2.116 16.946 -0.820 1.00 0.00 H new ATOM 1794 N ASP A 115 1.864 14.943 -2.817 1.00 0.00 N ATOM 1795 CA ASP A 115 1.330 13.618 -3.108 1.00 0.00 C ATOM 1796 C ASP A 115 1.854 13.088 -4.440 1.00 0.00 C ATOM 1797 O ASP A 115 2.252 11.926 -4.519 1.00 0.00 O ATOM 1798 CB ASP A 115 -0.199 13.653 -3.109 1.00 0.00 C ATOM 1799 CG ASP A 115 -0.802 12.314 -3.562 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -0.677 11.305 -2.835 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -1.462 12.300 -4.623 1.00 0.00 O ATOM 0 H ASP A 115 1.143 15.658 -2.718 1.00 0.00 H new ATOM 0 HA ASP A 115 1.667 12.939 -2.325 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -0.557 13.892 -2.108 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -0.544 14.449 -3.770 1.00 0.00 H new ATOM 1806 N TRP A 116 1.927 13.935 -5.473 1.00 0.00 N ATOM 1807 CA TRP A 116 2.465 13.534 -6.761 1.00 0.00 C ATOM 1808 C TRP A 116 3.966 13.242 -6.654 1.00 0.00 C ATOM 1809 O TRP A 116 4.435 12.258 -7.221 1.00 0.00 O ATOM 1810 CB TRP A 116 2.174 14.625 -7.800 1.00 0.00 C ATOM 1811 CG TRP A 116 2.748 14.366 -9.157 1.00 0.00 C ATOM 1812 CD1 TRP A 116 3.641 15.154 -9.796 1.00 0.00 C ATOM 1813 CD2 TRP A 116 2.530 13.218 -10.036 1.00 0.00 C ATOM 1814 NE1 TRP A 116 3.977 14.585 -11.004 1.00 0.00 N ATOM 1815 CE2 TRP A 116 3.357 13.369 -11.188 1.00 0.00 C ATOM 1816 CE3 TRP A 116 1.737 12.053 -9.970 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 3.417 12.400 -12.200 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 1.759 11.093 -10.999 1.00 0.00 C ATOM 1819 CH2 TRP A 116 2.609 11.256 -12.105 1.00 0.00 C ATOM 0 H TRP A 116 1.616 14.906 -5.433 1.00 0.00 H new ATOM 0 HA TRP A 116 1.980 12.613 -7.084 1.00 0.00 H new ATOM 0 HB2 TRP A 116 1.094 14.740 -7.893 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.565 15.573 -7.430 1.00 0.00 H new ATOM 0 HD1 TRP A 116 4.031 16.087 -9.417 1.00 0.00 H new ATOM 0 HE1 TRP A 116 4.609 15.013 -11.681 1.00 0.00 H new ATOM 0 HE3 TRP A 116 1.100 11.895 -9.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 4.078 12.533 -13.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 1.118 10.226 -10.938 1.00 0.00 H new ATOM 0 HH2 TRP A 116 2.641 10.504 -12.880 1.00 0.00 H new ATOM 1830 N LEU A 117 4.726 14.056 -5.914 1.00 0.00 N ATOM 1831 CA LEU A 117 6.174 13.921 -5.817 1.00 0.00 C ATOM 1832 C LEU A 117 6.552 12.639 -5.085 1.00 0.00 C ATOM 1833 O LEU A 117 7.430 11.918 -5.559 1.00 0.00 O ATOM 1834 CB LEU A 117 6.792 15.136 -5.106 1.00 0.00 C ATOM 1835 CG LEU A 117 6.817 16.427 -5.949 1.00 0.00 C ATOM 1836 CD1 LEU A 117 7.222 17.595 -5.045 1.00 0.00 C ATOM 1837 CD2 LEU A 117 7.778 16.338 -7.142 1.00 0.00 C ATOM 0 H LEU A 117 4.348 14.828 -5.365 1.00 0.00 H new ATOM 0 HA LEU A 117 6.571 13.873 -6.831 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.234 15.327 -4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.812 14.889 -4.813 1.00 0.00 H new ATOM 0 HG LEU A 117 5.819 16.578 -6.359 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.244 18.516 -5.628 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.500 17.696 -4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.211 17.406 -4.628 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.754 17.275 -7.699 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.790 16.156 -6.781 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.473 15.520 -7.795 1.00 0.00 H new ATOM 1849 N TYR A 118 5.907 12.307 -3.961 1.00 0.00 N ATOM 1850 CA TYR A 118 6.243 11.059 -3.284 1.00 0.00 C ATOM 1851 C TYR A 118 5.645 9.845 -4.006 1.00 0.00 C ATOM 1852 O TYR A 118 6.197 8.752 -3.896 1.00 0.00 O ATOM 1853 CB TYR A 118 6.002 11.125 -1.771 1.00 0.00 C ATOM 1854 CG TYR A 118 4.588 11.325 -1.255 1.00 0.00 C ATOM 1855 CD1 TYR A 118 3.567 10.398 -1.545 1.00 0.00 C ATOM 1856 CD2 TYR A 118 4.318 12.412 -0.400 1.00 0.00 C ATOM 1857 CE1 TYR A 118 2.281 10.572 -1.009 1.00 0.00 C ATOM 1858 CE2 TYR A 118 3.040 12.584 0.155 1.00 0.00 C ATOM 1859 CZ TYR A 118 2.017 11.661 -0.150 1.00 0.00 C ATOM 1860 OH TYR A 118 0.779 11.812 0.382 1.00 0.00 O ATOM 0 H TYR A 118 5.177 12.864 -3.517 1.00 0.00 H new ATOM 0 HA TYR A 118 7.320 10.911 -3.356 1.00 0.00 H new ATOM 0 HB2 TYR A 118 6.382 10.200 -1.337 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.613 11.937 -1.376 1.00 0.00 H new ATOM 0 HD1 TYR A 118 3.774 9.551 -2.182 1.00 0.00 H new ATOM 0 HD2 TYR A 118 5.101 13.119 -0.170 1.00 0.00 H new ATOM 0 HE1 TYR A 118 1.494 9.873 -1.254 1.00 0.00 H new ATOM 0 HE2 TYR A 118 2.841 13.418 0.812 1.00 0.00 H new ATOM 0 HH TYR A 118 0.795 12.530 1.048 1.00 0.00 H new ATOM 1870 N TRP A 119 4.578 10.003 -4.798 1.00 0.00 N ATOM 1871 CA TRP A 119 4.105 8.944 -5.687 1.00 0.00 C ATOM 1872 C TRP A 119 5.150 8.703 -6.782 1.00 0.00 C ATOM 1873 O TRP A 119 5.429 7.553 -7.124 1.00 0.00 O ATOM 1874 CB TRP A 119 2.741 9.332 -6.268 1.00 0.00 C ATOM 1875 CG TRP A 119 2.226 8.480 -7.382 1.00 0.00 C ATOM 1876 CD1 TRP A 119 2.431 8.723 -8.694 1.00 0.00 C ATOM 1877 CD2 TRP A 119 1.421 7.262 -7.325 1.00 0.00 C ATOM 1878 NE1 TRP A 119 1.753 7.794 -9.452 1.00 0.00 N ATOM 1879 CE2 TRP A 119 1.118 6.859 -8.662 1.00 0.00 C ATOM 1880 CE3 TRP A 119 0.911 6.459 -6.282 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 0.330 5.732 -8.945 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 0.120 5.326 -6.555 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -0.174 4.964 -7.882 1.00 0.00 C ATOM 0 H TRP A 119 4.026 10.860 -4.839 1.00 0.00 H new ATOM 0 HA TRP A 119 3.974 8.013 -5.136 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.009 9.317 -5.460 1.00 0.00 H new ATOM 0 HB3 TRP A 119 2.802 10.360 -6.624 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.036 9.525 -9.090 1.00 0.00 H new ATOM 0 HE1 TRP A 119 1.724 7.797 -10.472 1.00 0.00 H new ATOM 0 HE3 TRP A 119 1.131 6.718 -5.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 0.114 5.459 -9.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -0.264 4.731 -5.739 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -0.786 4.097 -8.083 1.00 0.00 H new ATOM 1894 N LEU A 120 5.802 9.767 -7.269 1.00 0.00 N ATOM 1895 CA LEU A 120 6.929 9.668 -8.187 1.00 0.00 C ATOM 1896 C LEU A 120 8.023 8.801 -7.555 1.00 0.00 C ATOM 1897 O LEU A 120 8.490 7.840 -8.166 1.00 0.00 O ATOM 1898 CB LEU A 120 7.486 11.070 -8.517 1.00 0.00 C ATOM 1899 CG LEU A 120 7.970 11.186 -9.969 1.00 0.00 C ATOM 1900 CD1 LEU A 120 6.787 11.538 -10.878 1.00 0.00 C ATOM 1901 CD2 LEU A 120 9.054 12.262 -10.082 1.00 0.00 C ATOM 0 H LEU A 120 5.554 10.727 -7.030 1.00 0.00 H new ATOM 0 HA LEU A 120 6.592 9.208 -9.116 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.713 11.816 -8.335 1.00 0.00 H new ATOM 0 HB3 LEU A 120 8.312 11.296 -7.843 1.00 0.00 H new ATOM 0 HG LEU A 120 8.393 10.231 -10.280 1.00 0.00 H new ATOM 0 HD11 LEU A 120 7.132 11.620 -11.909 1.00 0.00 H new ATOM 0 HD12 LEU A 120 6.030 10.756 -10.810 1.00 0.00 H new ATOM 0 HD13 LEU A 120 6.356 12.488 -10.563 1.00 0.00 H new ATOM 0 HD21 LEU A 120 9.389 12.334 -11.117 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.648 13.222 -9.764 1.00 0.00 H new ATOM 0 HD23 LEU A 120 9.898 11.996 -9.445 1.00 0.00 H new ATOM 1913 N ALA A 121 8.373 9.106 -6.297 1.00 0.00 N ATOM 1914 CA ALA A 121 9.380 8.380 -5.526 1.00 0.00 C ATOM 1915 C ALA A 121 8.990 6.917 -5.268 1.00 0.00 C ATOM 1916 O ALA A 121 9.868 6.084 -5.036 1.00 0.00 O ATOM 1917 CB ALA A 121 9.629 9.101 -4.194 1.00 0.00 C ATOM 0 H ALA A 121 7.953 9.880 -5.782 1.00 0.00 H new ATOM 0 HA ALA A 121 10.293 8.364 -6.121 1.00 0.00 H new ATOM 0 HB1 ALA A 121 10.380 8.558 -3.621 1.00 0.00 H new ATOM 0 HB2 ALA A 121 9.983 10.113 -4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 121 8.700 9.145 -3.625 1.00 0.00 H new ATOM 1923 N ARG A 122 7.694 6.584 -5.318 1.00 0.00 N ATOM 1924 CA ARG A 122 7.193 5.217 -5.158 1.00 0.00 C ATOM 1925 C ARG A 122 7.567 4.324 -6.349 1.00 0.00 C ATOM 1926 O ARG A 122 7.388 3.109 -6.267 1.00 0.00 O ATOM 1927 CB ARG A 122 5.671 5.252 -4.919 1.00 0.00 C ATOM 1928 CG ARG A 122 5.250 4.173 -3.913 1.00 0.00 C ATOM 1929 CD ARG A 122 3.767 4.272 -3.546 1.00 0.00 C ATOM 1930 NE ARG A 122 2.899 3.595 -4.523 1.00 0.00 N ATOM 1931 CZ ARG A 122 1.809 2.872 -4.216 1.00 0.00 C ATOM 1932 NH1 ARG A 122 1.397 2.717 -2.967 1.00 0.00 N ATOM 1933 NH2 ARG A 122 1.091 2.269 -5.153 1.00 0.00 N ATOM 0 H ARG A 122 6.954 7.269 -5.473 1.00 0.00 H new ATOM 0 HA ARG A 122 7.673 4.771 -4.287 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.380 6.235 -4.548 1.00 0.00 H new ATOM 0 HB3 ARG A 122 5.147 5.099 -5.863 1.00 0.00 H new ATOM 0 HG2 ARG A 122 5.454 3.188 -4.333 1.00 0.00 H new ATOM 0 HG3 ARG A 122 5.853 4.266 -3.010 1.00 0.00 H new ATOM 0 HD2 ARG A 122 3.610 3.834 -2.560 1.00 0.00 H new ATOM 0 HD3 ARG A 122 3.482 5.322 -3.478 1.00 0.00 H new ATOM 0 HE ARG A 122 3.144 3.681 -5.509 1.00 0.00 H new ATOM 0 HH11 ARG A 122 1.912 3.153 -2.202 1.00 0.00 H new ATOM 0 HH12 ARG A 122 0.565 2.161 -2.770 1.00 0.00 H new ATOM 0 HH21 ARG A 122 1.362 2.348 -6.133 1.00 0.00 H new ATOM 0 HH22 ARG A 122 0.268 1.726 -4.894 1.00 0.00 H new ATOM 1947 N GLY A 123 8.081 4.896 -7.445 1.00 0.00 N ATOM 1948 CA GLY A 123 8.448 4.139 -8.635 1.00 0.00 C ATOM 1949 C GLY A 123 7.200 3.728 -9.414 1.00 0.00 C ATOM 1950 O GLY A 123 7.106 2.588 -9.873 1.00 0.00 O ATOM 0 H GLY A 123 8.252 5.898 -7.526 1.00 0.00 H new ATOM 0 HA2 GLY A 123 9.098 4.741 -9.270 1.00 0.00 H new ATOM 0 HA3 GLY A 123 9.014 3.252 -8.349 1.00 0.00 H new ATOM 1954 N TYR A 124 6.223 4.638 -9.504 1.00 0.00 N ATOM 1955 CA TYR A 124 4.986 4.465 -10.259 1.00 0.00 C ATOM 1956 C TYR A 124 5.240 4.056 -11.720 1.00 0.00 C ATOM 1957 O TYR A 124 6.288 4.350 -12.304 1.00 0.00 O ATOM 1958 CB TYR A 124 4.153 5.758 -10.204 1.00 0.00 C ATOM 1959 CG TYR A 124 4.623 6.860 -11.147 1.00 0.00 C ATOM 1960 CD1 TYR A 124 5.894 7.440 -10.968 1.00 0.00 C ATOM 1961 CD2 TYR A 124 3.824 7.265 -12.238 1.00 0.00 C ATOM 1962 CE1 TYR A 124 6.389 8.365 -11.898 1.00 0.00 C ATOM 1963 CE2 TYR A 124 4.302 8.222 -13.153 1.00 0.00 C ATOM 1964 CZ TYR A 124 5.599 8.761 -12.999 1.00 0.00 C ATOM 1965 OH TYR A 124 6.103 9.647 -13.903 1.00 0.00 O ATOM 0 H TYR A 124 6.278 5.543 -9.037 1.00 0.00 H new ATOM 0 HA TYR A 124 4.432 3.651 -9.793 1.00 0.00 H new ATOM 0 HB2 TYR A 124 3.116 5.516 -10.438 1.00 0.00 H new ATOM 0 HB3 TYR A 124 4.169 6.141 -9.184 1.00 0.00 H new ATOM 0 HD1 TYR A 124 6.491 7.171 -10.109 1.00 0.00 H new ATOM 0 HD2 TYR A 124 2.841 6.838 -12.371 1.00 0.00 H new ATOM 0 HE1 TYR A 124 7.379 8.777 -11.772 1.00 0.00 H new ATOM 0 HE2 TYR A 124 3.677 8.544 -13.973 1.00 0.00 H new ATOM 0 HH TYR A 124 5.437 9.816 -14.601 1.00 0.00 H new ATOM 1975 N LYS A 125 4.229 3.418 -12.318 1.00 0.00 N ATOM 1976 CA LYS A 125 4.193 2.949 -13.711 1.00 0.00 C ATOM 1977 C LYS A 125 2.763 3.068 -14.259 1.00 0.00 C ATOM 1978 O LYS A 125 2.429 2.422 -15.255 1.00 0.00 O ATOM 1979 CB LYS A 125 4.663 1.479 -13.794 1.00 0.00 C ATOM 1980 CG LYS A 125 6.027 1.228 -13.141 1.00 0.00 C ATOM 1981 CD LYS A 125 6.504 -0.214 -13.356 1.00 0.00 C ATOM 1982 CE LYS A 125 7.856 -0.421 -12.660 1.00 0.00 C ATOM 1983 NZ LYS A 125 8.367 -1.805 -12.825 1.00 0.00 N ATOM 0 H LYS A 125 3.366 3.202 -11.818 1.00 0.00 H new ATOM 0 HA LYS A 125 4.864 3.566 -14.309 1.00 0.00 H new ATOM 0 HB2 LYS A 125 3.919 0.842 -13.316 1.00 0.00 H new ATOM 0 HB3 LYS A 125 4.712 1.181 -14.841 1.00 0.00 H new ATOM 0 HG2 LYS A 125 6.761 1.919 -13.555 1.00 0.00 H new ATOM 0 HG3 LYS A 125 5.962 1.434 -12.073 1.00 0.00 H new ATOM 0 HD2 LYS A 125 5.769 -0.914 -12.959 1.00 0.00 H new ATOM 0 HD3 LYS A 125 6.597 -0.421 -14.422 1.00 0.00 H new ATOM 0 HE2 LYS A 125 8.583 0.283 -13.065 1.00 0.00 H new ATOM 0 HE3 LYS A 125 7.754 -0.198 -11.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 9.282 -1.898 -12.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 7.687 -2.477 -12.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 8.491 -2.011 -13.837 1.00 0.00 H new ATOM 1997 N PHE A 126 1.939 3.902 -13.609 1.00 0.00 N ATOM 1998 CA PHE A 126 0.496 3.992 -13.802 1.00 0.00 C ATOM 1999 C PHE A 126 -0.083 2.570 -13.784 1.00 0.00 C ATOM 2000 O PHE A 126 0.183 1.849 -12.799 1.00 0.00 O ATOM 2001 CB PHE A 126 0.141 4.802 -15.060 1.00 0.00 C ATOM 2002 CG PHE A 126 0.556 6.263 -15.067 1.00 0.00 C ATOM 2003 CD1 PHE A 126 0.175 7.121 -14.016 1.00 0.00 C ATOM 2004 CD2 PHE A 126 1.269 6.783 -16.163 1.00 0.00 C ATOM 2005 CE1 PHE A 126 0.495 8.490 -14.071 1.00 0.00 C ATOM 2006 CE2 PHE A 126 1.590 8.151 -16.214 1.00 0.00 C ATOM 2007 CZ PHE A 126 1.199 9.008 -15.171 1.00 0.00 C ATOM 2008 OXT PHE A 126 -0.812 2.180 -14.718 1.00 0.00 O ATOM 0 H PHE A 126 2.280 4.557 -12.906 1.00 0.00 H new ATOM 0 HA PHE A 126 0.035 4.550 -12.987 1.00 0.00 H new ATOM 0 HB2 PHE A 126 0.599 4.314 -15.920 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -0.938 4.754 -15.203 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -0.364 6.727 -13.167 1.00 0.00 H new ATOM 0 HD2 PHE A 126 1.571 6.129 -16.968 1.00 0.00 H new ATOM 0 HE1 PHE A 126 0.198 9.145 -13.265 1.00 0.00 H new ATOM 0 HE2 PHE A 126 2.139 8.544 -17.057 1.00 0.00 H new ATOM 0 HZ PHE A 126 1.439 10.060 -15.215 1.00 0.00 H new TER 2018 PHE A 126