USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 810 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 39 LYS NZ :NH3+ -144:sc= 0.688 (180deg=-2.25!) USER MOD Set 1.2: A 63 TYR OH : rot 30:sc= 0.9 USER MOD Set 2.1: A 18 MET CE :methyl -116:sc= -1.25 (180deg=-4.23!) USER MOD Set 2.2: A 21 TYR OH : rot 30:sc= 0 USER MOD Set 2.3: A 37 MET CE :methyl 161:sc= -0.194 (180deg=-0.745) USER MOD Single : A 8 LYS NZ :NH3+ -116:sc= -2.47! (180deg=-5.45!) USER MOD Single : A 9 SER OG : rot -82:sc= 1.3 USER MOD Single : A 11 HIS : no HE2:sc= 0.433 K(o=0.43,f=-7.1!) USER MOD Single : A 16 SER OG : rot 148:sc= 0.265 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 168:sc=-0.00142 (180deg=-0.0898) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 82:sc= 1.28 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.0164 X(o=-0.016,f=-0.025) USER MOD Single : A 33 HIS : no HD1:sc= -1.53 X(o=-1.5,f=-1.2) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 109:sc= 1.05 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 20:sc= -1.07 USER MOD Single : A 48 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.52) USER MOD Single : A 50 HIS : no HD1:sc= -0.417 X(o=-0.42,f=-0.62) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 150:sc= -0.265 USER MOD Single : A 64 MET CE :methyl 158:sc= -1.05 (180deg=-2.61!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 CYS SG : rot 180:sc= -0.0894 USER MOD Single : A 70 ASN :FLIP amide:sc= -0.239 F(o=-1.3!,f=-0.24) USER MOD Single : A 73 SER OG : rot 180:sc= 0.0182 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.59) USER MOD Single : A 78 ASN : amide:sc= 0.683 K(o=0.68,f=-7.8!) USER MOD Single : A 80 SER OG : rot 59:sc= 0.678 USER MOD Single : A 81 THR OG1 : rot -77:sc= 1.12 USER MOD Single : A 83 LYS NZ :NH3+ 161:sc= -0.115 (180deg=-0.475) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 89:sc= 0.00699 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl -162:sc= -0.0533 (180deg=-0.428) USER MOD Single : A 97 ASN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N PHE A 7 16.799 -2.100 2.037 1.00 72.33 N ATOM 86 CA PHE A 7 15.692 -2.387 1.158 1.00 51.43 C ATOM 87 C PHE A 7 15.729 -1.482 -0.059 1.00 31.30 C ATOM 88 O PHE A 7 16.134 -0.320 0.031 1.00 64.22 O ATOM 89 CB PHE A 7 14.381 -2.203 1.913 1.00 21.31 C ATOM 90 CG PHE A 7 14.335 -2.990 3.188 1.00 73.44 C ATOM 91 CD1 PHE A 7 14.093 -4.354 3.168 1.00 2.13 C ATOM 92 CD2 PHE A 7 14.555 -2.370 4.406 1.00 40.53 C ATOM 93 CE1 PHE A 7 14.069 -5.083 4.338 1.00 40.43 C ATOM 94 CE2 PHE A 7 14.536 -3.095 5.579 1.00 75.23 C ATOM 95 CZ PHE A 7 14.292 -4.453 5.546 1.00 13.34 C ATOM 0 HA PHE A 7 15.769 -3.419 0.817 1.00 51.43 H new ATOM 0 HB2 PHE A 7 14.241 -1.146 2.138 1.00 21.31 H new ATOM 0 HB3 PHE A 7 13.552 -2.506 1.273 1.00 21.31 H new ATOM 0 HD1 PHE A 7 13.921 -4.852 2.225 1.00 2.13 H new ATOM 0 HD2 PHE A 7 14.744 -1.307 4.438 1.00 40.53 H new ATOM 0 HE1 PHE A 7 13.876 -6.145 4.310 1.00 40.43 H new ATOM 0 HE2 PHE A 7 14.712 -2.600 6.523 1.00 75.23 H new ATOM 0 HZ PHE A 7 14.276 -5.022 6.464 1.00 13.34 H new ATOM 105 N LYS A 8 15.299 -2.029 -1.180 1.00 21.30 N ATOM 106 CA LYS A 8 15.307 -1.320 -2.453 1.00 55.03 C ATOM 107 C LYS A 8 14.546 0.003 -2.372 1.00 43.03 C ATOM 108 O LYS A 8 15.047 1.043 -2.799 1.00 73.35 O ATOM 109 CB LYS A 8 14.696 -2.194 -3.550 1.00 42.32 C ATOM 110 CG LYS A 8 15.521 -3.426 -3.894 1.00 75.24 C ATOM 111 CD LYS A 8 14.906 -4.227 -5.039 1.00 0.15 C ATOM 112 CE LYS A 8 13.741 -5.103 -4.586 1.00 4.41 C ATOM 113 NZ LYS A 8 12.548 -4.314 -4.181 1.00 74.25 N ATOM 0 H LYS A 8 14.933 -2.979 -1.238 1.00 21.30 H new ATOM 0 HA LYS A 8 16.347 -1.099 -2.694 1.00 55.03 H new ATOM 0 HB2 LYS A 8 13.702 -2.512 -3.235 1.00 42.32 H new ATOM 0 HB3 LYS A 8 14.568 -1.592 -4.450 1.00 42.32 H new ATOM 0 HG2 LYS A 8 16.531 -3.121 -4.167 1.00 75.24 H new ATOM 0 HG3 LYS A 8 15.607 -4.062 -3.013 1.00 75.24 H new ATOM 0 HD2 LYS A 8 14.560 -3.541 -5.812 1.00 0.15 H new ATOM 0 HD3 LYS A 8 15.674 -4.855 -5.491 1.00 0.15 H new ATOM 0 HE2 LYS A 8 13.466 -5.779 -5.395 1.00 4.41 H new ATOM 0 HE3 LYS A 8 14.063 -5.722 -3.748 1.00 4.41 H new ATOM 0 HZ1 LYS A 8 12.359 -4.465 -3.169 1.00 74.25 H new ATOM 0 HZ2 LYS A 8 12.725 -3.304 -4.353 1.00 74.25 H new ATOM 0 HZ3 LYS A 8 11.724 -4.621 -4.736 1.00 74.25 H new ATOM 127 N SER A 9 13.348 -0.037 -1.808 1.00 13.13 N ATOM 128 CA SER A 9 12.478 1.128 -1.787 1.00 51.45 C ATOM 129 C SER A 9 11.409 0.962 -0.717 1.00 62.44 C ATOM 130 O SER A 9 11.479 0.039 0.096 1.00 52.12 O ATOM 131 CB SER A 9 11.814 1.294 -3.154 1.00 71.31 C ATOM 132 OG SER A 9 10.949 0.202 -3.428 1.00 51.02 O ATOM 0 H SER A 9 12.956 -0.865 -1.359 1.00 13.13 H new ATOM 0 HA SER A 9 13.073 2.013 -1.560 1.00 51.45 H new ATOM 0 HB2 SER A 9 11.250 2.226 -3.179 1.00 71.31 H new ATOM 0 HB3 SER A 9 12.578 1.363 -3.929 1.00 71.31 H new ATOM 0 HG SER A 9 11.472 -0.550 -3.775 1.00 51.02 H new ATOM 138 N PHE A 10 10.413 1.848 -0.736 1.00 62.44 N ATOM 139 CA PHE A 10 9.272 1.739 0.157 1.00 32.30 C ATOM 140 C PHE A 10 8.581 0.394 -0.042 1.00 1.32 C ATOM 141 O PHE A 10 8.171 -0.243 0.917 1.00 71.33 O ATOM 142 CB PHE A 10 8.277 2.888 -0.082 1.00 1.13 C ATOM 143 CG PHE A 10 7.651 2.898 -1.450 1.00 22.40 C ATOM 144 CD1 PHE A 10 8.367 3.327 -2.555 1.00 74.45 C ATOM 145 CD2 PHE A 10 6.345 2.474 -1.626 1.00 11.04 C ATOM 146 CE1 PHE A 10 7.790 3.332 -3.809 1.00 4.30 C ATOM 147 CE2 PHE A 10 5.763 2.478 -2.877 1.00 21.32 C ATOM 148 CZ PHE A 10 6.486 2.907 -3.970 1.00 32.11 C ATOM 0 H PHE A 10 10.379 2.650 -1.365 1.00 62.44 H new ATOM 0 HA PHE A 10 9.631 1.808 1.184 1.00 32.30 H new ATOM 0 HB2 PHE A 10 7.486 2.828 0.665 1.00 1.13 H new ATOM 0 HB3 PHE A 10 8.792 3.836 0.075 1.00 1.13 H new ATOM 0 HD1 PHE A 10 9.387 3.661 -2.434 1.00 74.45 H new ATOM 0 HD2 PHE A 10 5.775 2.136 -0.774 1.00 11.04 H new ATOM 0 HE1 PHE A 10 8.358 3.668 -4.664 1.00 4.30 H new ATOM 0 HE2 PHE A 10 4.743 2.146 -3.000 1.00 21.32 H new ATOM 0 HZ PHE A 10 6.033 2.911 -4.950 1.00 32.11 H new ATOM 158 N HIS A 11 8.501 -0.050 -1.297 1.00 3.30 N ATOM 159 CA HIS A 11 7.847 -1.313 -1.632 1.00 61.14 C ATOM 160 C HIS A 11 8.569 -2.482 -0.975 1.00 14.52 C ATOM 161 O HIS A 11 7.943 -3.430 -0.500 1.00 43.32 O ATOM 162 CB HIS A 11 7.814 -1.504 -3.154 1.00 60.53 C ATOM 163 CG HIS A 11 7.305 -2.847 -3.590 1.00 24.52 C ATOM 164 ND1 HIS A 11 8.099 -3.788 -4.210 1.00 21.51 N ATOM 165 CD2 HIS A 11 6.077 -3.404 -3.494 1.00 61.54 C ATOM 166 CE1 HIS A 11 7.386 -4.861 -4.472 1.00 2.22 C ATOM 167 NE2 HIS A 11 6.152 -4.659 -4.049 1.00 21.34 N ATOM 0 H HIS A 11 8.883 0.449 -2.100 1.00 3.30 H new ATOM 0 HA HIS A 11 6.825 -1.282 -1.256 1.00 61.14 H new ATOM 0 HB2 HIS A 11 7.186 -0.729 -3.594 1.00 60.53 H new ATOM 0 HB3 HIS A 11 8.820 -1.362 -3.550 1.00 60.53 H new ATOM 0 HD1 HIS A 11 9.088 -3.670 -4.431 1.00 21.51 H new ATOM 0 HD2 HIS A 11 5.199 -2.947 -3.061 1.00 61.54 H new ATOM 0 HE1 HIS A 11 7.749 -5.757 -4.953 1.00 2.22 H new ATOM 176 N ASP A 12 9.885 -2.395 -0.945 1.00 21.21 N ATOM 177 CA ASP A 12 10.710 -3.454 -0.384 1.00 5.23 C ATOM 178 C ASP A 12 10.670 -3.388 1.136 1.00 34.22 C ATOM 179 O ASP A 12 10.705 -4.409 1.822 1.00 11.52 O ATOM 180 CB ASP A 12 12.140 -3.309 -0.897 1.00 53.03 C ATOM 181 CG ASP A 12 12.948 -4.583 -0.762 1.00 52.05 C ATOM 182 OD1 ASP A 12 12.418 -5.663 -1.086 1.00 21.12 O ATOM 183 OD2 ASP A 12 14.129 -4.495 -0.387 1.00 53.41 O ATOM 0 H ASP A 12 10.411 -1.598 -1.304 1.00 21.21 H new ATOM 0 HA ASP A 12 10.325 -4.425 -0.695 1.00 5.23 H new ATOM 0 HB2 ASP A 12 12.116 -3.010 -1.945 1.00 53.03 H new ATOM 0 HB3 ASP A 12 12.638 -2.509 -0.348 1.00 53.03 H new ATOM 188 N PHE A 13 10.572 -2.168 1.652 1.00 53.21 N ATOM 189 CA PHE A 13 10.435 -1.947 3.087 1.00 55.13 C ATOM 190 C PHE A 13 9.077 -2.459 3.568 1.00 74.24 C ATOM 191 O PHE A 13 8.968 -3.032 4.655 1.00 11.15 O ATOM 192 CB PHE A 13 10.586 -0.458 3.412 1.00 73.23 C ATOM 193 CG PHE A 13 10.774 -0.168 4.877 1.00 41.04 C ATOM 194 CD1 PHE A 13 9.689 -0.126 5.741 1.00 72.43 C ATOM 195 CD2 PHE A 13 12.037 0.073 5.389 1.00 75.51 C ATOM 196 CE1 PHE A 13 9.862 0.149 7.084 1.00 61.23 C ATOM 197 CE2 PHE A 13 12.218 0.347 6.731 1.00 34.41 C ATOM 198 CZ PHE A 13 11.129 0.387 7.579 1.00 12.03 C ATOM 0 H PHE A 13 10.585 -1.313 1.095 1.00 53.21 H new ATOM 0 HA PHE A 13 11.222 -2.496 3.604 1.00 55.13 H new ATOM 0 HB2 PHE A 13 11.439 -0.061 2.861 1.00 73.23 H new ATOM 0 HB3 PHE A 13 9.702 0.072 3.057 1.00 73.23 H new ATOM 0 HD1 PHE A 13 8.696 -0.311 5.359 1.00 72.43 H new ATOM 0 HD2 PHE A 13 12.893 0.047 4.731 1.00 75.51 H new ATOM 0 HE1 PHE A 13 9.008 0.178 7.745 1.00 61.23 H new ATOM 0 HE2 PHE A 13 13.210 0.530 7.116 1.00 34.41 H new ATOM 0 HZ PHE A 13 11.268 0.604 8.628 1.00 12.03 H new ATOM 208 N VAL A 14 8.046 -2.250 2.746 1.00 24.12 N ATOM 209 CA VAL A 14 6.707 -2.754 3.037 1.00 63.24 C ATOM 210 C VAL A 14 6.747 -4.256 3.280 1.00 0.32 C ATOM 211 O VAL A 14 6.137 -4.749 4.220 1.00 73.24 O ATOM 212 CB VAL A 14 5.704 -2.450 1.895 1.00 44.11 C ATOM 213 CG1 VAL A 14 4.387 -3.182 2.111 1.00 60.44 C ATOM 214 CG2 VAL A 14 5.452 -0.954 1.783 1.00 60.42 C ATOM 0 H VAL A 14 8.116 -1.732 1.870 1.00 24.12 H new ATOM 0 HA VAL A 14 6.364 -2.239 3.935 1.00 63.24 H new ATOM 0 HB VAL A 14 6.148 -2.804 0.964 1.00 44.11 H new ATOM 0 HG11 VAL A 14 3.703 -2.950 1.294 1.00 60.44 H new ATOM 0 HG12 VAL A 14 4.568 -4.257 2.138 1.00 60.44 H new ATOM 0 HG13 VAL A 14 3.945 -2.865 3.056 1.00 60.44 H new ATOM 0 HG21 VAL A 14 4.745 -0.764 0.975 1.00 60.42 H new ATOM 0 HG22 VAL A 14 5.039 -0.583 2.721 1.00 60.42 H new ATOM 0 HG23 VAL A 14 6.391 -0.442 1.572 1.00 60.42 H new ATOM 224 N ALA A 15 7.491 -4.972 2.443 1.00 24.43 N ATOM 225 CA ALA A 15 7.622 -6.418 2.576 1.00 31.32 C ATOM 226 C ALA A 15 8.202 -6.797 3.938 1.00 21.44 C ATOM 227 O ALA A 15 7.839 -7.823 4.516 1.00 0.30 O ATOM 228 CB ALA A 15 8.488 -6.974 1.456 1.00 31.12 C ATOM 0 H ALA A 15 8.014 -4.573 1.663 1.00 24.43 H new ATOM 0 HA ALA A 15 6.627 -6.856 2.502 1.00 31.32 H new ATOM 0 HB1 ALA A 15 8.577 -8.055 1.568 1.00 31.12 H new ATOM 0 HB2 ALA A 15 8.030 -6.745 0.494 1.00 31.12 H new ATOM 0 HB3 ALA A 15 9.478 -6.521 1.503 1.00 31.12 H new ATOM 234 N SER A 16 9.087 -5.955 4.453 1.00 24.22 N ATOM 235 CA SER A 16 9.716 -6.193 5.742 1.00 42.05 C ATOM 236 C SER A 16 8.698 -6.069 6.878 1.00 72.13 C ATOM 237 O SER A 16 8.647 -6.915 7.772 1.00 1.32 O ATOM 238 CB SER A 16 10.870 -5.210 5.952 1.00 44.41 C ATOM 239 OG SER A 16 11.569 -5.471 7.160 1.00 61.34 O ATOM 0 H SER A 16 9.386 -5.095 3.993 1.00 24.22 H new ATOM 0 HA SER A 16 10.110 -7.209 5.750 1.00 42.05 H new ATOM 0 HB2 SER A 16 11.560 -5.274 5.111 1.00 44.41 H new ATOM 0 HB3 SER A 16 10.482 -4.192 5.969 1.00 44.41 H new ATOM 0 HG SER A 16 12.513 -5.230 7.050 1.00 61.34 H new ATOM 245 N TYR A 17 7.887 -5.016 6.845 1.00 4.30 N ATOM 246 CA TYR A 17 6.889 -4.799 7.887 1.00 20.42 C ATOM 247 C TYR A 17 5.677 -5.704 7.673 1.00 54.33 C ATOM 248 O TYR A 17 5.050 -6.155 8.631 1.00 41.04 O ATOM 249 CB TYR A 17 6.455 -3.331 7.937 1.00 32.14 C ATOM 250 CG TYR A 17 5.582 -3.007 9.133 1.00 13.21 C ATOM 251 CD1 TYR A 17 6.146 -2.694 10.364 1.00 31.34 C ATOM 252 CD2 TYR A 17 4.197 -3.026 9.035 1.00 51.32 C ATOM 253 CE1 TYR A 17 5.353 -2.409 11.461 1.00 54.25 C ATOM 254 CE2 TYR A 17 3.399 -2.741 10.125 1.00 41.52 C ATOM 255 CZ TYR A 17 3.980 -2.435 11.335 1.00 13.50 C ATOM 256 OH TYR A 17 3.183 -2.156 12.423 1.00 75.14 O ATOM 0 H TYR A 17 7.900 -4.305 6.114 1.00 4.30 H new ATOM 0 HA TYR A 17 7.346 -5.052 8.844 1.00 20.42 H new ATOM 0 HB2 TYR A 17 7.342 -2.697 7.960 1.00 32.14 H new ATOM 0 HB3 TYR A 17 5.913 -3.088 7.023 1.00 32.14 H new ATOM 0 HD1 TYR A 17 7.221 -2.673 10.466 1.00 31.34 H new ATOM 0 HD2 TYR A 17 3.736 -3.268 8.089 1.00 51.32 H new ATOM 0 HE1 TYR A 17 5.807 -2.167 12.411 1.00 54.25 H new ATOM 0 HE2 TYR A 17 2.323 -2.758 10.029 1.00 41.52 H new ATOM 0 HH TYR A 17 2.240 -2.217 12.162 1.00 75.14 H new ATOM 266 N MET A 18 5.363 -5.974 6.411 1.00 63.24 N ATOM 267 CA MET A 18 4.239 -6.837 6.055 1.00 22.51 C ATOM 268 C MET A 18 4.414 -8.215 6.672 1.00 33.12 C ATOM 269 O MET A 18 3.439 -8.877 7.025 1.00 51.01 O ATOM 270 CB MET A 18 4.108 -6.941 4.531 1.00 21.31 C ATOM 271 CG MET A 18 2.995 -7.864 4.063 1.00 2.11 C ATOM 272 SD MET A 18 2.543 -7.593 2.338 1.00 60.43 S ATOM 273 CE MET A 18 1.999 -5.881 2.396 1.00 23.54 C ATOM 0 H MET A 18 5.875 -5.605 5.610 1.00 63.24 H new ATOM 0 HA MET A 18 3.323 -6.397 6.450 1.00 22.51 H new ATOM 0 HB2 MET A 18 3.934 -5.945 4.124 1.00 21.31 H new ATOM 0 HB3 MET A 18 5.054 -7.293 4.119 1.00 21.31 H new ATOM 0 HG2 MET A 18 3.309 -8.900 4.193 1.00 2.11 H new ATOM 0 HG3 MET A 18 2.117 -7.715 4.692 1.00 2.11 H new ATOM 0 HE1 MET A 18 0.939 -5.827 2.148 1.00 23.54 H new ATOM 0 HE2 MET A 18 2.158 -5.482 3.398 1.00 23.54 H new ATOM 0 HE3 MET A 18 2.570 -5.293 1.677 1.00 23.54 H new ATOM 283 N LYS A 19 5.671 -8.620 6.814 1.00 55.24 N ATOM 284 CA LYS A 19 6.037 -9.875 7.462 1.00 53.02 C ATOM 285 C LYS A 19 5.340 -10.013 8.821 1.00 1.15 C ATOM 286 O LYS A 19 4.928 -11.107 9.208 1.00 42.33 O ATOM 287 CB LYS A 19 7.568 -9.914 7.612 1.00 12.21 C ATOM 288 CG LYS A 19 8.151 -11.213 8.159 1.00 23.11 C ATOM 289 CD LYS A 19 8.037 -11.295 9.671 1.00 42.15 C ATOM 290 CE LYS A 19 8.820 -12.467 10.225 1.00 32.42 C ATOM 291 NZ LYS A 19 10.288 -12.227 10.171 1.00 53.52 N ATOM 0 H LYS A 19 6.471 -8.083 6.480 1.00 55.24 H new ATOM 0 HA LYS A 19 5.710 -10.717 6.852 1.00 53.02 H new ATOM 0 HB2 LYS A 19 8.014 -9.721 6.637 1.00 12.21 H new ATOM 0 HB3 LYS A 19 7.870 -9.098 8.268 1.00 12.21 H new ATOM 0 HG2 LYS A 19 7.633 -12.060 7.710 1.00 23.11 H new ATOM 0 HG3 LYS A 19 9.199 -11.290 7.870 1.00 23.11 H new ATOM 0 HD2 LYS A 19 8.403 -10.369 10.115 1.00 42.15 H new ATOM 0 HD3 LYS A 19 6.988 -11.391 9.953 1.00 42.15 H new ATOM 0 HE2 LYS A 19 8.519 -12.650 11.257 1.00 32.42 H new ATOM 0 HE3 LYS A 19 8.578 -13.366 9.658 1.00 32.42 H new ATOM 0 HZ1 LYS A 19 10.779 -12.949 10.736 1.00 53.52 H new ATOM 0 HZ2 LYS A 19 10.612 -12.280 9.184 1.00 53.52 H new ATOM 0 HZ3 LYS A 19 10.500 -11.284 10.555 1.00 53.52 H new ATOM 305 N THR A 20 5.183 -8.894 9.519 1.00 33.43 N ATOM 306 CA THR A 20 4.611 -8.899 10.858 1.00 34.20 C ATOM 307 C THR A 20 3.132 -9.310 10.856 1.00 1.32 C ATOM 308 O THR A 20 2.762 -10.287 11.503 1.00 54.01 O ATOM 309 CB THR A 20 4.767 -7.516 11.522 1.00 53.22 C ATOM 310 OG1 THR A 20 6.148 -7.125 11.509 1.00 34.13 O ATOM 311 CG2 THR A 20 4.265 -7.537 12.959 1.00 1.00 C ATOM 0 H THR A 20 5.445 -7.969 9.177 1.00 33.43 H new ATOM 0 HA THR A 20 5.163 -9.642 11.434 1.00 34.20 H new ATOM 0 HB THR A 20 4.171 -6.800 10.956 1.00 53.22 H new ATOM 0 HG1 THR A 20 6.243 -6.245 11.930 1.00 34.13 H new ATOM 0 HG21 THR A 20 4.388 -6.549 13.402 1.00 1.00 H new ATOM 0 HG22 THR A 20 3.210 -7.812 12.972 1.00 1.00 H new ATOM 0 HG23 THR A 20 4.837 -8.265 13.534 1.00 1.00 H new ATOM 319 N TYR A 21 2.288 -8.588 10.120 1.00 13.42 N ATOM 320 CA TYR A 21 0.853 -8.842 10.170 1.00 15.43 C ATOM 321 C TYR A 21 0.478 -10.087 9.360 1.00 44.12 C ATOM 322 O TYR A 21 -0.554 -10.711 9.611 1.00 64.31 O ATOM 323 CB TYR A 21 0.063 -7.617 9.686 1.00 43.34 C ATOM 324 CG TYR A 21 -0.093 -7.504 8.182 1.00 25.35 C ATOM 325 CD1 TYR A 21 -1.182 -8.080 7.535 1.00 4.41 C ATOM 326 CD2 TYR A 21 0.836 -6.820 7.411 1.00 4.00 C ATOM 327 CE1 TYR A 21 -1.337 -7.979 6.166 1.00 12.24 C ATOM 328 CE2 TYR A 21 0.685 -6.714 6.042 1.00 34.55 C ATOM 329 CZ TYR A 21 -0.401 -7.296 5.425 1.00 33.25 C ATOM 330 OH TYR A 21 -0.546 -7.195 4.061 1.00 44.24 O ATOM 0 H TYR A 21 2.569 -7.835 9.492 1.00 13.42 H new ATOM 0 HA TYR A 21 0.587 -9.030 11.210 1.00 15.43 H new ATOM 0 HB2 TYR A 21 -0.929 -7.642 10.137 1.00 43.34 H new ATOM 0 HB3 TYR A 21 0.557 -6.717 10.053 1.00 43.34 H new ATOM 0 HD1 TYR A 21 -1.920 -8.616 8.114 1.00 4.41 H new ATOM 0 HD2 TYR A 21 1.690 -6.363 7.889 1.00 4.00 H new ATOM 0 HE1 TYR A 21 -2.188 -8.434 5.681 1.00 12.24 H new ATOM 0 HE2 TYR A 21 1.416 -6.176 5.457 1.00 34.55 H new ATOM 0 HH TYR A 21 -1.499 -7.207 3.832 1.00 44.24 H new ATOM 340 N SER A 22 1.330 -10.459 8.405 1.00 72.22 N ATOM 341 CA SER A 22 1.082 -11.635 7.573 1.00 34.45 C ATOM 342 C SER A 22 1.186 -12.912 8.400 1.00 1.02 C ATOM 343 O SER A 22 0.821 -13.994 7.941 1.00 5.42 O ATOM 344 CB SER A 22 2.065 -11.684 6.404 1.00 43.42 C ATOM 345 OG SER A 22 1.963 -10.514 5.611 1.00 72.43 O ATOM 0 H SER A 22 2.195 -9.964 8.189 1.00 72.22 H new ATOM 0 HA SER A 22 0.070 -11.560 7.175 1.00 34.45 H new ATOM 0 HB2 SER A 22 3.082 -11.785 6.782 1.00 43.42 H new ATOM 0 HB3 SER A 22 1.865 -12.563 5.791 1.00 43.42 H new ATOM 0 HG SER A 22 2.479 -9.791 6.026 1.00 72.43 H new ATOM 351 N ARG A 23 1.680 -12.767 9.624 1.00 52.22 N ATOM 352 CA ARG A 23 1.783 -13.874 10.565 1.00 2.04 C ATOM 353 C ARG A 23 0.431 -14.556 10.760 1.00 31.21 C ATOM 354 O ARG A 23 0.355 -15.771 10.926 1.00 64.34 O ATOM 355 CB ARG A 23 2.294 -13.349 11.907 1.00 72.31 C ATOM 356 CG ARG A 23 2.733 -14.431 12.876 1.00 11.05 C ATOM 357 CD ARG A 23 3.143 -13.824 14.207 1.00 61.12 C ATOM 358 NE ARG A 23 3.514 -14.836 15.187 1.00 44.31 N ATOM 359 CZ ARG A 23 4.307 -14.599 16.227 1.00 40.21 C ATOM 360 NH1 ARG A 23 4.754 -13.369 16.452 1.00 52.11 N ATOM 361 NH2 ARG A 23 4.627 -15.583 17.055 1.00 3.30 N ATOM 0 H ARG A 23 2.020 -11.878 9.991 1.00 52.22 H new ATOM 0 HA ARG A 23 2.480 -14.609 10.163 1.00 2.04 H new ATOM 0 HB2 ARG A 23 3.134 -12.678 11.725 1.00 72.31 H new ATOM 0 HB3 ARG A 23 1.508 -12.756 12.375 1.00 72.31 H new ATOM 0 HG2 ARG A 23 1.920 -15.141 13.029 1.00 11.05 H new ATOM 0 HG3 ARG A 23 3.568 -14.989 12.452 1.00 11.05 H new ATOM 0 HD2 ARG A 23 3.983 -13.147 14.051 1.00 61.12 H new ATOM 0 HD3 ARG A 23 2.321 -13.226 14.600 1.00 61.12 H new ATOM 0 HE ARG A 23 3.145 -15.779 15.068 1.00 44.31 H new ATOM 0 HH11 ARG A 23 4.489 -12.608 15.827 1.00 52.11 H new ATOM 0 HH12 ARG A 23 5.363 -13.186 17.250 1.00 52.11 H new ATOM 0 HH21 ARG A 23 4.265 -16.523 16.894 1.00 3.30 H new ATOM 0 HH22 ARG A 23 5.236 -15.401 17.853 1.00 3.30 H new ATOM 375 N ARG A 24 -0.635 -13.771 10.726 1.00 21.32 N ATOM 376 CA ARG A 24 -1.973 -14.297 10.945 1.00 14.03 C ATOM 377 C ARG A 24 -2.819 -14.183 9.680 1.00 12.45 C ATOM 378 O ARG A 24 -4.045 -14.285 9.721 1.00 11.04 O ATOM 379 CB ARG A 24 -2.636 -13.567 12.115 1.00 12.20 C ATOM 380 CG ARG A 24 -1.981 -13.873 13.453 1.00 20.40 C ATOM 381 CD ARG A 24 -2.680 -13.165 14.602 1.00 61.54 C ATOM 382 NE ARG A 24 -2.444 -11.721 14.598 1.00 2.30 N ATOM 383 CZ ARG A 24 -3.135 -10.857 15.338 1.00 20.50 C ATOM 384 NH1 ARG A 24 -4.143 -11.283 16.089 1.00 23.40 N ATOM 385 NH2 ARG A 24 -2.817 -9.571 15.323 1.00 44.02 N ATOM 0 H ARG A 24 -0.599 -12.767 10.549 1.00 21.32 H new ATOM 0 HA ARG A 24 -1.895 -15.355 11.194 1.00 14.03 H new ATOM 0 HB2 ARG A 24 -2.597 -12.493 11.935 1.00 12.20 H new ATOM 0 HB3 ARG A 24 -3.689 -13.845 12.160 1.00 12.20 H new ATOM 0 HG2 ARG A 24 -1.996 -14.949 13.627 1.00 20.40 H new ATOM 0 HG3 ARG A 24 -0.935 -13.570 13.423 1.00 20.40 H new ATOM 0 HD2 ARG A 24 -3.752 -13.355 14.543 1.00 61.54 H new ATOM 0 HD3 ARG A 24 -2.334 -13.584 15.547 1.00 61.54 H new ATOM 0 HE ARG A 24 -1.708 -11.356 13.994 1.00 2.30 H new ATOM 0 HH11 ARG A 24 -4.388 -12.273 16.099 1.00 23.40 H new ATOM 0 HH12 ARG A 24 -4.672 -10.620 16.656 1.00 23.40 H new ATOM 0 HH21 ARG A 24 -2.043 -9.244 14.745 1.00 44.02 H new ATOM 0 HH22 ARG A 24 -3.346 -8.908 15.890 1.00 44.02 H new ATOM 399 N LEU A 25 -2.150 -14.007 8.550 1.00 22.11 N ATOM 400 CA LEU A 25 -2.833 -13.899 7.275 1.00 71.11 C ATOM 401 C LEU A 25 -2.826 -15.251 6.585 1.00 22.32 C ATOM 402 O LEU A 25 -1.784 -15.910 6.510 1.00 34.25 O ATOM 403 CB LEU A 25 -2.150 -12.865 6.375 1.00 64.44 C ATOM 404 CG LEU A 25 -3.027 -12.263 5.282 1.00 12.24 C ATOM 405 CD1 LEU A 25 -4.190 -11.493 5.896 1.00 0.15 C ATOM 406 CD2 LEU A 25 -2.201 -11.353 4.386 1.00 21.41 C ATOM 0 H LEU A 25 -1.134 -13.936 8.493 1.00 22.11 H new ATOM 0 HA LEU A 25 -3.858 -13.576 7.457 1.00 71.11 H new ATOM 0 HB2 LEU A 25 -1.774 -12.056 7.001 1.00 64.44 H new ATOM 0 HB3 LEU A 25 -1.285 -13.333 5.905 1.00 64.44 H new ATOM 0 HG LEU A 25 -3.433 -13.073 4.676 1.00 12.24 H new ATOM 0 HD11 LEU A 25 -4.806 -11.070 5.102 1.00 0.15 H new ATOM 0 HD12 LEU A 25 -4.794 -12.168 6.503 1.00 0.15 H new ATOM 0 HD13 LEU A 25 -3.804 -10.689 6.523 1.00 0.15 H new ATOM 0 HD21 LEU A 25 -2.839 -10.930 3.610 1.00 21.41 H new ATOM 0 HD22 LEU A 25 -1.772 -10.548 4.982 1.00 21.41 H new ATOM 0 HD23 LEU A 25 -1.400 -11.928 3.923 1.00 21.41 H new ATOM 418 N GLU A 26 -3.984 -15.671 6.107 1.00 34.33 N ATOM 419 CA GLU A 26 -4.092 -16.915 5.374 1.00 51.31 C ATOM 420 C GLU A 26 -3.212 -16.873 4.134 1.00 63.12 C ATOM 421 O GLU A 26 -3.014 -15.813 3.532 1.00 64.54 O ATOM 422 CB GLU A 26 -5.541 -17.173 4.979 1.00 32.50 C ATOM 423 CG GLU A 26 -6.107 -16.130 4.039 1.00 75.23 C ATOM 424 CD GLU A 26 -7.541 -16.406 3.645 1.00 11.42 C ATOM 425 OE1 GLU A 26 -8.449 -16.155 4.461 1.00 32.32 O ATOM 426 OE2 GLU A 26 -7.766 -16.888 2.516 1.00 24.31 O ATOM 0 H GLU A 26 -4.863 -15.166 6.215 1.00 34.33 H new ATOM 0 HA GLU A 26 -3.755 -17.728 6.017 1.00 51.31 H new ATOM 0 HB2 GLU A 26 -5.611 -18.153 4.506 1.00 32.50 H new ATOM 0 HB3 GLU A 26 -6.154 -17.209 5.880 1.00 32.50 H new ATOM 0 HG2 GLU A 26 -6.049 -15.151 4.514 1.00 75.23 H new ATOM 0 HG3 GLU A 26 -5.491 -16.086 3.141 1.00 75.23 H new ATOM 433 N ILE A 27 -2.698 -18.029 3.757 1.00 64.34 N ATOM 434 CA ILE A 27 -1.784 -18.135 2.626 1.00 40.45 C ATOM 435 C ILE A 27 -2.476 -17.705 1.337 1.00 42.43 C ATOM 436 O ILE A 27 -1.850 -17.129 0.447 1.00 61.43 O ATOM 437 CB ILE A 27 -1.242 -19.576 2.480 1.00 15.05 C ATOM 438 CG1 ILE A 27 -0.471 -19.982 3.739 1.00 42.43 C ATOM 439 CG2 ILE A 27 -0.360 -19.711 1.244 1.00 43.33 C ATOM 440 CD1 ILE A 27 0.718 -19.091 4.046 1.00 54.13 C ATOM 0 H ILE A 27 -2.898 -18.916 4.219 1.00 64.34 H new ATOM 0 HA ILE A 27 -0.942 -17.469 2.815 1.00 40.45 H new ATOM 0 HB ILE A 27 -2.092 -20.247 2.357 1.00 15.05 H new ATOM 0 HG12 ILE A 27 -1.152 -19.969 4.590 1.00 42.43 H new ATOM 0 HG13 ILE A 27 -0.123 -21.009 3.625 1.00 42.43 H new ATOM 0 HG21 ILE A 27 0.006 -20.735 1.168 1.00 43.33 H new ATOM 0 HG22 ILE A 27 -0.940 -19.466 0.354 1.00 43.33 H new ATOM 0 HG23 ILE A 27 0.486 -19.028 1.324 1.00 43.33 H new ATOM 0 HD11 ILE A 27 1.212 -19.443 4.952 1.00 54.13 H new ATOM 0 HD12 ILE A 27 1.421 -19.123 3.213 1.00 54.13 H new ATOM 0 HD13 ILE A 27 0.376 -18.067 4.194 1.00 54.13 H new ATOM 452 N GLY A 28 -3.781 -17.963 1.267 1.00 31.44 N ATOM 453 CA GLY A 28 -4.555 -17.609 0.094 1.00 75.11 C ATOM 454 C GLY A 28 -4.476 -16.132 -0.239 1.00 51.42 C ATOM 455 O GLY A 28 -4.045 -15.766 -1.326 1.00 45.44 O ATOM 0 H GLY A 28 -4.316 -18.414 2.009 1.00 31.44 H new ATOM 0 HA2 GLY A 28 -4.200 -18.188 -0.758 1.00 75.11 H new ATOM 0 HA3 GLY A 28 -5.597 -17.885 0.255 1.00 75.11 H new ATOM 459 N THR A 29 -4.869 -15.281 0.702 1.00 42.54 N ATOM 460 CA THR A 29 -4.904 -13.845 0.454 1.00 21.21 C ATOM 461 C THR A 29 -3.491 -13.246 0.474 1.00 32.35 C ATOM 462 O THR A 29 -3.196 -12.319 -0.283 1.00 14.01 O ATOM 463 CB THR A 29 -5.825 -13.112 1.460 1.00 2.55 C ATOM 464 OG1 THR A 29 -6.097 -11.782 1.003 1.00 21.10 O ATOM 465 CG2 THR A 29 -5.212 -13.051 2.847 1.00 52.33 C ATOM 0 H THR A 29 -5.166 -15.558 1.638 1.00 42.54 H new ATOM 0 HA THR A 29 -5.322 -13.700 -0.542 1.00 21.21 H new ATOM 0 HB THR A 29 -6.753 -13.680 1.523 1.00 2.55 H new ATOM 0 HG1 THR A 29 -6.681 -11.328 1.646 1.00 21.10 H new ATOM 0 HG21 THR A 29 -5.890 -12.529 3.522 1.00 52.33 H new ATOM 0 HG22 THR A 29 -5.042 -14.063 3.215 1.00 52.33 H new ATOM 0 HG23 THR A 29 -4.263 -12.517 2.802 1.00 52.33 H new ATOM 473 N PHE A 30 -2.622 -13.782 1.336 1.00 52.21 N ATOM 474 CA PHE A 30 -1.220 -13.379 1.376 1.00 14.03 C ATOM 475 C PHE A 30 -0.576 -13.506 -0.006 1.00 24.11 C ATOM 476 O PHE A 30 0.066 -12.574 -0.494 1.00 2.14 O ATOM 477 CB PHE A 30 -0.472 -14.239 2.400 1.00 21.40 C ATOM 478 CG PHE A 30 1.009 -14.004 2.440 1.00 14.02 C ATOM 479 CD1 PHE A 30 1.524 -12.818 2.930 1.00 51.03 C ATOM 480 CD2 PHE A 30 1.885 -14.979 1.993 1.00 42.11 C ATOM 481 CE1 PHE A 30 2.889 -12.607 2.972 1.00 22.25 C ATOM 482 CE2 PHE A 30 3.249 -14.774 2.032 1.00 4.44 C ATOM 483 CZ PHE A 30 3.752 -13.587 2.522 1.00 15.31 C ATOM 0 H PHE A 30 -2.870 -14.499 2.017 1.00 52.21 H new ATOM 0 HA PHE A 30 -1.161 -12.332 1.674 1.00 14.03 H new ATOM 0 HB2 PHE A 30 -0.885 -14.046 3.390 1.00 21.40 H new ATOM 0 HB3 PHE A 30 -0.655 -15.290 2.177 1.00 21.40 H new ATOM 0 HD1 PHE A 30 0.853 -12.049 3.283 1.00 51.03 H new ATOM 0 HD2 PHE A 30 1.496 -15.911 1.609 1.00 42.11 H new ATOM 0 HE1 PHE A 30 3.281 -11.677 3.356 1.00 22.25 H new ATOM 0 HE2 PHE A 30 3.922 -15.542 1.679 1.00 4.44 H new ATOM 0 HZ PHE A 30 4.819 -13.424 2.554 1.00 15.31 H new ATOM 493 N ARG A 31 -0.773 -14.653 -0.637 1.00 20.12 N ATOM 494 CA ARG A 31 -0.228 -14.909 -1.962 1.00 11.35 C ATOM 495 C ARG A 31 -1.025 -14.158 -3.026 1.00 24.43 C ATOM 496 O ARG A 31 -0.483 -13.742 -4.049 1.00 75.14 O ATOM 497 CB ARG A 31 -0.266 -16.409 -2.243 1.00 60.31 C ATOM 498 CG ARG A 31 0.726 -16.870 -3.294 1.00 24.11 C ATOM 499 CD ARG A 31 0.637 -18.373 -3.494 1.00 2.23 C ATOM 500 NE ARG A 31 1.534 -18.855 -4.538 1.00 52.24 N ATOM 501 CZ ARG A 31 1.164 -19.717 -5.485 1.00 54.31 C ATOM 502 NH1 ARG A 31 -0.104 -20.109 -5.572 1.00 53.11 N ATOM 503 NH2 ARG A 31 2.055 -20.172 -6.356 1.00 2.32 N ATOM 0 H ARG A 31 -1.311 -15.428 -0.249 1.00 20.12 H new ATOM 0 HA ARG A 31 0.803 -14.557 -1.995 1.00 11.35 H new ATOM 0 HB2 ARG A 31 -0.071 -16.946 -1.315 1.00 60.31 H new ATOM 0 HB3 ARG A 31 -1.271 -16.682 -2.564 1.00 60.31 H new ATOM 0 HG2 ARG A 31 0.528 -16.360 -4.237 1.00 24.11 H new ATOM 0 HG3 ARG A 31 1.737 -16.598 -2.991 1.00 24.11 H new ATOM 0 HD2 ARG A 31 0.874 -18.875 -2.556 1.00 2.23 H new ATOM 0 HD3 ARG A 31 -0.388 -18.642 -3.749 1.00 2.23 H new ATOM 0 HE ARG A 31 2.495 -18.514 -4.544 1.00 52.24 H new ATOM 0 HH11 ARG A 31 -0.795 -19.750 -4.913 1.00 53.11 H new ATOM 0 HH12 ARG A 31 -0.385 -20.769 -6.297 1.00 53.11 H new ATOM 0 HH21 ARG A 31 3.025 -19.862 -6.302 1.00 2.32 H new ATOM 0 HH22 ARG A 31 1.770 -20.832 -7.080 1.00 2.32 H new ATOM 517 N HIS A 32 -2.310 -13.962 -2.749 1.00 74.34 N ATOM 518 CA HIS A 32 -3.241 -13.346 -3.692 1.00 14.33 C ATOM 519 C HIS A 32 -2.911 -11.869 -3.931 1.00 21.44 C ATOM 520 O HIS A 32 -3.440 -11.252 -4.854 1.00 1.02 O ATOM 521 CB HIS A 32 -4.677 -13.504 -3.166 1.00 60.31 C ATOM 522 CG HIS A 32 -5.757 -13.088 -4.118 1.00 52.04 C ATOM 523 ND1 HIS A 32 -6.012 -13.737 -5.305 1.00 0.43 N ATOM 524 CD2 HIS A 32 -6.677 -12.099 -4.031 1.00 61.21 C ATOM 525 CE1 HIS A 32 -7.038 -13.167 -5.905 1.00 1.13 C ATOM 526 NE2 HIS A 32 -7.467 -12.171 -5.153 1.00 41.03 N ATOM 0 H HIS A 32 -2.738 -14.226 -1.862 1.00 74.34 H new ATOM 0 HA HIS A 32 -3.147 -13.854 -4.652 1.00 14.33 H new ATOM 0 HB2 HIS A 32 -4.835 -14.548 -2.897 1.00 60.31 H new ATOM 0 HB3 HIS A 32 -4.777 -12.920 -2.251 1.00 60.31 H new ATOM 0 HD2 HIS A 32 -6.773 -11.384 -3.227 1.00 61.21 H new ATOM 0 HE1 HIS A 32 -7.458 -13.465 -6.854 1.00 1.13 H new ATOM 0 HE2 HIS A 32 -8.253 -11.558 -5.368 1.00 41.03 H new ATOM 535 N HIS A 33 -2.042 -11.294 -3.104 1.00 60.54 N ATOM 536 CA HIS A 33 -1.646 -9.904 -3.301 1.00 35.33 C ATOM 537 C HIS A 33 -0.169 -9.792 -3.678 1.00 34.43 C ATOM 538 O HIS A 33 0.359 -8.688 -3.805 1.00 74.41 O ATOM 539 CB HIS A 33 -1.965 -9.037 -2.066 1.00 40.43 C ATOM 540 CG HIS A 33 -1.167 -9.337 -0.822 1.00 62.13 C ATOM 541 ND1 HIS A 33 -1.748 -9.737 0.359 1.00 14.42 N ATOM 542 CD2 HIS A 33 0.161 -9.232 -0.564 1.00 42.51 C ATOM 543 CE1 HIS A 33 -0.820 -9.862 1.287 1.00 41.22 C ATOM 544 NE2 HIS A 33 0.350 -9.562 0.755 1.00 32.34 N ATOM 0 H HIS A 33 -1.606 -11.758 -2.307 1.00 60.54 H new ATOM 0 HA HIS A 33 -2.236 -9.520 -4.134 1.00 35.33 H new ATOM 0 HB2 HIS A 33 -1.808 -7.991 -2.331 1.00 40.43 H new ATOM 0 HB3 HIS A 33 -3.023 -9.151 -1.831 1.00 40.43 H new ATOM 0 HD2 HIS A 33 0.928 -8.942 -1.267 1.00 42.51 H new ATOM 0 HE1 HIS A 33 -0.989 -10.160 2.311 1.00 41.22 H new ATOM 0 HE2 HIS A 33 1.246 -9.573 1.243 1.00 32.34 H new ATOM 553 N LYS A 34 0.490 -10.932 -3.872 1.00 51.45 N ATOM 554 CA LYS A 34 1.912 -10.950 -4.207 1.00 41.21 C ATOM 555 C LYS A 34 2.167 -10.387 -5.602 1.00 40.44 C ATOM 556 O LYS A 34 2.948 -9.446 -5.766 1.00 52.25 O ATOM 557 CB LYS A 34 2.466 -12.374 -4.103 1.00 41.31 C ATOM 558 CG LYS A 34 2.844 -12.781 -2.689 1.00 72.23 C ATOM 559 CD LYS A 34 3.982 -11.924 -2.155 1.00 72.21 C ATOM 560 CE LYS A 34 4.427 -12.372 -0.775 1.00 2.34 C ATOM 561 NZ LYS A 34 5.554 -11.548 -0.264 1.00 34.22 N ATOM 0 H LYS A 34 0.062 -11.855 -3.803 1.00 51.45 H new ATOM 0 HA LYS A 34 2.429 -10.312 -3.490 1.00 41.21 H new ATOM 0 HB2 LYS A 34 1.722 -13.073 -4.486 1.00 41.31 H new ATOM 0 HB3 LYS A 34 3.344 -12.460 -4.743 1.00 41.31 H new ATOM 0 HG2 LYS A 34 1.976 -12.686 -2.036 1.00 72.23 H new ATOM 0 HG3 LYS A 34 3.139 -13.830 -2.676 1.00 72.23 H new ATOM 0 HD2 LYS A 34 4.827 -11.972 -2.842 1.00 72.21 H new ATOM 0 HD3 LYS A 34 3.664 -10.882 -2.114 1.00 72.21 H new ATOM 0 HE2 LYS A 34 3.587 -12.308 -0.083 1.00 2.34 H new ATOM 0 HE3 LYS A 34 4.730 -13.418 -0.813 1.00 2.34 H new ATOM 0 HZ1 LYS A 34 5.830 -11.884 0.681 1.00 34.22 H new ATOM 0 HZ2 LYS A 34 6.365 -11.629 -0.911 1.00 34.22 H new ATOM 0 HZ3 LYS A 34 5.257 -10.553 -0.204 1.00 34.22 H new ATOM 575 N SER A 35 1.499 -10.954 -6.598 1.00 44.21 N ATOM 576 CA SER A 35 1.658 -10.516 -7.981 1.00 51.12 C ATOM 577 C SER A 35 1.160 -9.082 -8.160 1.00 33.31 C ATOM 578 O SER A 35 1.645 -8.343 -9.021 1.00 11.21 O ATOM 579 CB SER A 35 0.897 -11.461 -8.908 1.00 23.21 C ATOM 580 OG SER A 35 1.286 -12.803 -8.678 1.00 1.41 O ATOM 0 H SER A 35 0.839 -11.722 -6.474 1.00 44.21 H new ATOM 0 HA SER A 35 2.718 -10.538 -8.235 1.00 51.12 H new ATOM 0 HB2 SER A 35 -0.175 -11.354 -8.745 1.00 23.21 H new ATOM 0 HB3 SER A 35 1.090 -11.194 -9.947 1.00 23.21 H new ATOM 0 HG SER A 35 0.788 -13.396 -9.279 1.00 1.41 H new ATOM 586 N CYS A 36 0.199 -8.699 -7.336 1.00 42.21 N ATOM 587 CA CYS A 36 -0.357 -7.354 -7.363 1.00 14.02 C ATOM 588 C CYS A 36 0.677 -6.325 -6.919 1.00 3.35 C ATOM 589 O CYS A 36 0.878 -5.306 -7.573 1.00 0.53 O ATOM 590 CB CYS A 36 -1.580 -7.292 -6.457 1.00 13.00 C ATOM 591 SG CYS A 36 -2.967 -8.304 -7.025 1.00 65.53 S ATOM 0 H CYS A 36 -0.217 -9.308 -6.632 1.00 42.21 H new ATOM 0 HA CYS A 36 -0.648 -7.118 -8.387 1.00 14.02 H new ATOM 0 HB2 CYS A 36 -1.294 -7.614 -5.456 1.00 13.00 H new ATOM 0 HB3 CYS A 36 -1.908 -6.256 -6.377 1.00 13.00 H new ATOM 0 HG CYS A 36 -3.103 -9.332 -6.241 1.00 65.53 H new ATOM 597 N MET A 37 1.336 -6.605 -5.809 1.00 22.40 N ATOM 598 CA MET A 37 2.377 -5.720 -5.286 1.00 21.43 C ATOM 599 C MET A 37 3.551 -5.595 -6.253 1.00 63.22 C ATOM 600 O MET A 37 4.264 -4.593 -6.246 1.00 14.33 O ATOM 601 CB MET A 37 2.903 -6.228 -3.943 1.00 2.30 C ATOM 602 CG MET A 37 1.894 -6.172 -2.813 1.00 4.20 C ATOM 603 SD MET A 37 2.569 -6.802 -1.262 1.00 4.14 S ATOM 604 CE MET A 37 3.907 -5.643 -0.972 1.00 40.11 C ATOM 0 H MET A 37 1.172 -7.440 -5.246 1.00 22.40 H new ATOM 0 HA MET A 37 1.917 -4.740 -5.157 1.00 21.43 H new ATOM 0 HB2 MET A 37 3.238 -7.258 -4.064 1.00 2.30 H new ATOM 0 HB3 MET A 37 3.777 -5.640 -3.663 1.00 2.30 H new ATOM 0 HG2 MET A 37 1.566 -5.142 -2.672 1.00 4.20 H new ATOM 0 HG3 MET A 37 1.013 -6.753 -3.086 1.00 4.20 H new ATOM 0 HE1 MET A 37 4.198 -5.679 0.078 1.00 40.11 H new ATOM 0 HE2 MET A 37 4.761 -5.910 -1.595 1.00 40.11 H new ATOM 0 HE3 MET A 37 3.576 -4.635 -1.223 1.00 40.11 H new ATOM 614 N ARG A 38 3.763 -6.616 -7.071 1.00 63.42 N ATOM 615 CA ARG A 38 4.949 -6.676 -7.917 1.00 72.41 C ATOM 616 C ARG A 38 4.872 -5.704 -9.080 1.00 54.04 C ATOM 617 O ARG A 38 5.842 -5.012 -9.384 1.00 63.14 O ATOM 618 CB ARG A 38 5.136 -8.076 -8.476 1.00 52.33 C ATOM 619 CG ARG A 38 6.542 -8.316 -9.008 1.00 44.05 C ATOM 620 CD ARG A 38 7.582 -8.165 -7.908 1.00 40.45 C ATOM 621 NE ARG A 38 8.889 -7.753 -8.423 1.00 73.14 N ATOM 622 CZ ARG A 38 10.048 -8.294 -8.038 1.00 55.51 C ATOM 623 NH1 ARG A 38 10.057 -9.340 -7.214 1.00 33.11 N ATOM 624 NH2 ARG A 38 11.196 -7.795 -8.488 1.00 5.25 N ATOM 0 H ARG A 38 3.133 -7.412 -7.168 1.00 63.42 H new ATOM 0 HA ARG A 38 5.794 -6.402 -7.285 1.00 72.41 H new ATOM 0 HB2 ARG A 38 4.918 -8.806 -7.696 1.00 52.33 H new ATOM 0 HB3 ARG A 38 4.416 -8.241 -9.278 1.00 52.33 H new ATOM 0 HG2 ARG A 38 6.605 -9.316 -9.436 1.00 44.05 H new ATOM 0 HG3 ARG A 38 6.754 -7.611 -9.812 1.00 44.05 H new ATOM 0 HD2 ARG A 38 7.234 -7.431 -7.182 1.00 40.45 H new ATOM 0 HD3 ARG A 38 7.686 -9.112 -7.379 1.00 40.45 H new ATOM 0 HE ARG A 38 8.916 -7.007 -9.118 1.00 73.14 H new ATOM 0 HH11 ARG A 38 9.177 -9.730 -6.875 1.00 33.11 H new ATOM 0 HH12 ARG A 38 10.943 -9.751 -6.922 1.00 33.11 H new ATOM 0 HH21 ARG A 38 11.191 -7.000 -9.127 1.00 5.25 H new ATOM 0 HH22 ARG A 38 12.081 -8.208 -8.194 1.00 5.25 H new ATOM 638 N LYS A 39 3.710 -5.657 -9.719 1.00 14.24 N ATOM 639 CA LYS A 39 3.543 -4.913 -10.972 1.00 54.22 C ATOM 640 C LYS A 39 3.806 -3.412 -10.840 1.00 41.42 C ATOM 641 O LYS A 39 3.816 -2.701 -11.842 1.00 11.10 O ATOM 642 CB LYS A 39 2.157 -5.165 -11.577 1.00 62.41 C ATOM 643 CG LYS A 39 0.997 -5.060 -10.597 1.00 0.25 C ATOM 644 CD LYS A 39 0.700 -3.626 -10.166 1.00 14.31 C ATOM 645 CE LYS A 39 0.010 -2.818 -11.259 1.00 4.04 C ATOM 646 NZ LYS A 39 0.966 -2.192 -12.213 1.00 13.21 N ATOM 0 H LYS A 39 2.864 -6.125 -9.393 1.00 14.24 H new ATOM 0 HA LYS A 39 4.308 -5.296 -11.647 1.00 54.22 H new ATOM 0 HB2 LYS A 39 1.995 -4.452 -12.385 1.00 62.41 H new ATOM 0 HB3 LYS A 39 2.147 -6.160 -12.023 1.00 62.41 H new ATOM 0 HG2 LYS A 39 0.104 -5.487 -11.054 1.00 0.25 H new ATOM 0 HG3 LYS A 39 1.221 -5.659 -9.714 1.00 0.25 H new ATOM 0 HD2 LYS A 39 0.070 -3.641 -9.277 1.00 14.31 H new ATOM 0 HD3 LYS A 39 1.632 -3.133 -9.888 1.00 14.31 H new ATOM 0 HE2 LYS A 39 -0.670 -3.468 -11.809 1.00 4.04 H new ATOM 0 HE3 LYS A 39 -0.597 -2.039 -10.798 1.00 4.04 H new ATOM 0 HZ1 LYS A 39 0.606 -1.261 -12.505 1.00 13.21 H new ATOM 0 HZ2 LYS A 39 1.891 -2.076 -11.752 1.00 13.21 H new ATOM 0 HZ3 LYS A 39 1.070 -2.801 -13.050 1.00 13.21 H new ATOM 660 N PHE A 40 4.010 -2.928 -9.620 1.00 52.54 N ATOM 661 CA PHE A 40 4.393 -1.535 -9.421 1.00 31.51 C ATOM 662 C PHE A 40 5.730 -1.275 -10.110 1.00 71.44 C ATOM 663 O PHE A 40 5.972 -0.185 -10.633 1.00 72.45 O ATOM 664 CB PHE A 40 4.494 -1.202 -7.927 1.00 0.04 C ATOM 665 CG PHE A 40 4.816 0.243 -7.664 1.00 23.41 C ATOM 666 CD1 PHE A 40 3.812 1.198 -7.662 1.00 31.54 C ATOM 667 CD2 PHE A 40 6.120 0.647 -7.429 1.00 41.13 C ATOM 668 CE1 PHE A 40 4.102 2.529 -7.430 1.00 52.43 C ATOM 669 CE2 PHE A 40 6.416 1.976 -7.195 1.00 53.04 C ATOM 670 CZ PHE A 40 5.406 2.918 -7.197 1.00 52.52 C ATOM 0 H PHE A 40 3.918 -3.472 -8.762 1.00 52.54 H new ATOM 0 HA PHE A 40 3.626 -0.894 -9.857 1.00 31.51 H new ATOM 0 HB2 PHE A 40 3.551 -1.452 -7.441 1.00 0.04 H new ATOM 0 HB3 PHE A 40 5.262 -1.828 -7.473 1.00 0.04 H new ATOM 0 HD1 PHE A 40 2.790 0.898 -7.844 1.00 31.54 H new ATOM 0 HD2 PHE A 40 6.914 -0.085 -7.429 1.00 41.13 H new ATOM 0 HE1 PHE A 40 3.310 3.263 -7.431 1.00 52.43 H new ATOM 0 HE2 PHE A 40 7.436 2.278 -7.011 1.00 53.04 H new ATOM 0 HZ PHE A 40 5.636 3.958 -7.017 1.00 52.52 H new ATOM 680 N LYS A 41 6.562 -2.316 -10.130 1.00 63.54 N ATOM 681 CA LYS A 41 7.878 -2.282 -10.757 1.00 22.21 C ATOM 682 C LYS A 41 8.786 -1.225 -10.128 1.00 42.32 C ATOM 683 O LYS A 41 8.827 -0.075 -10.569 1.00 31.45 O ATOM 684 CB LYS A 41 7.757 -2.038 -12.266 1.00 34.41 C ATOM 685 CG LYS A 41 9.085 -2.130 -13.006 1.00 74.11 C ATOM 686 CD LYS A 41 8.953 -1.719 -14.463 1.00 74.15 C ATOM 687 CE LYS A 41 7.963 -2.597 -15.212 1.00 13.14 C ATOM 688 NZ LYS A 41 7.928 -2.281 -16.663 1.00 43.04 N ATOM 0 H LYS A 41 6.336 -3.216 -9.706 1.00 63.54 H new ATOM 0 HA LYS A 41 8.335 -3.257 -10.589 1.00 22.21 H new ATOM 0 HB2 LYS A 41 7.064 -2.765 -12.689 1.00 34.41 H new ATOM 0 HB3 LYS A 41 7.325 -1.051 -12.433 1.00 34.41 H new ATOM 0 HG2 LYS A 41 9.819 -1.492 -12.514 1.00 74.11 H new ATOM 0 HG3 LYS A 41 9.462 -3.151 -12.950 1.00 74.11 H new ATOM 0 HD2 LYS A 41 8.631 -0.679 -14.519 1.00 74.15 H new ATOM 0 HD3 LYS A 41 9.928 -1.777 -14.946 1.00 74.15 H new ATOM 0 HE2 LYS A 41 8.231 -3.645 -15.075 1.00 13.14 H new ATOM 0 HE3 LYS A 41 6.968 -2.465 -14.788 1.00 13.14 H new ATOM 0 HZ1 LYS A 41 7.241 -2.901 -17.137 1.00 43.04 H new ATOM 0 HZ2 LYS A 41 7.647 -1.288 -16.795 1.00 43.04 H new ATOM 0 HZ3 LYS A 41 8.871 -2.432 -17.074 1.00 43.04 H new ATOM 702 N GLU A 42 9.495 -1.610 -9.078 1.00 63.53 N ATOM 703 CA GLU A 42 10.533 -0.772 -8.523 1.00 72.15 C ATOM 704 C GLU A 42 11.858 -1.519 -8.547 1.00 51.22 C ATOM 705 O GLU A 42 11.894 -2.745 -8.411 1.00 74.23 O ATOM 706 CB GLU A 42 10.167 -0.291 -7.113 1.00 12.24 C ATOM 707 CG GLU A 42 9.567 -1.351 -6.201 1.00 74.32 C ATOM 708 CD GLU A 42 10.600 -2.257 -5.565 1.00 40.13 C ATOM 709 OE1 GLU A 42 11.605 -1.746 -5.031 1.00 51.24 O ATOM 710 OE2 GLU A 42 10.385 -3.483 -5.550 1.00 63.53 O ATOM 0 H GLU A 42 9.366 -2.500 -8.596 1.00 63.53 H new ATOM 0 HA GLU A 42 10.635 0.123 -9.137 1.00 72.15 H new ATOM 0 HB2 GLU A 42 11.064 0.108 -6.639 1.00 12.24 H new ATOM 0 HB3 GLU A 42 9.459 0.533 -7.200 1.00 12.24 H new ATOM 0 HG2 GLU A 42 8.993 -0.860 -5.415 1.00 74.32 H new ATOM 0 HG3 GLU A 42 8.867 -1.958 -6.775 1.00 74.32 H new ATOM 717 N TYR A 43 12.937 -0.781 -8.755 1.00 51.34 N ATOM 718 CA TYR A 43 14.245 -1.385 -8.967 1.00 60.44 C ATOM 719 C TYR A 43 15.360 -0.399 -8.645 1.00 65.45 C ATOM 720 O TYR A 43 16.403 -0.776 -8.109 1.00 52.21 O ATOM 721 CB TYR A 43 14.368 -1.887 -10.416 1.00 1.04 C ATOM 722 CG TYR A 43 13.897 -0.899 -11.471 1.00 61.44 C ATOM 723 CD1 TYR A 43 12.557 -0.834 -11.841 1.00 44.04 C ATOM 724 CD2 TYR A 43 14.789 -0.038 -12.097 1.00 41.04 C ATOM 725 CE1 TYR A 43 12.123 0.059 -12.801 1.00 43.41 C ATOM 726 CE2 TYR A 43 14.362 0.860 -13.059 1.00 14.02 C ATOM 727 CZ TYR A 43 13.027 0.904 -13.405 1.00 33.24 C ATOM 728 OH TYR A 43 12.593 1.795 -14.360 1.00 2.35 O ATOM 0 H TYR A 43 12.934 0.239 -8.782 1.00 51.34 H new ATOM 0 HA TYR A 43 14.344 -2.235 -8.292 1.00 60.44 H new ATOM 0 HB2 TYR A 43 15.410 -2.138 -10.612 1.00 1.04 H new ATOM 0 HB3 TYR A 43 13.794 -2.808 -10.517 1.00 1.04 H new ATOM 0 HD1 TYR A 43 11.844 -1.494 -11.369 1.00 44.04 H new ATOM 0 HD2 TYR A 43 15.834 -0.070 -11.828 1.00 41.04 H new ATOM 0 HE1 TYR A 43 11.079 0.094 -13.077 1.00 43.41 H new ATOM 0 HE2 TYR A 43 15.069 1.522 -13.536 1.00 14.02 H new ATOM 0 HH TYR A 43 13.353 2.319 -14.688 1.00 2.35 H new ATOM 738 N CYS A 44 15.132 0.861 -8.986 1.00 15.00 N ATOM 739 CA CYS A 44 16.058 1.930 -8.656 1.00 75.51 C ATOM 740 C CYS A 44 15.300 3.054 -7.968 1.00 53.04 C ATOM 741 O CYS A 44 14.254 3.484 -8.459 1.00 25.40 O ATOM 742 CB CYS A 44 16.750 2.456 -9.917 1.00 42.01 C ATOM 743 SG CYS A 44 17.682 1.202 -10.828 1.00 64.34 S ATOM 0 H CYS A 44 14.304 1.168 -9.496 1.00 15.00 H new ATOM 0 HA CYS A 44 16.825 1.542 -7.986 1.00 75.51 H new ATOM 0 HB2 CYS A 44 15.998 2.886 -10.579 1.00 42.01 H new ATOM 0 HB3 CYS A 44 17.427 3.263 -9.637 1.00 42.01 H new ATOM 0 HG CYS A 44 17.261 0.019 -10.491 1.00 64.34 H new ATOM 749 N GLU A 45 15.818 3.501 -6.826 1.00 0.40 N ATOM 750 CA GLU A 45 15.180 4.546 -6.028 1.00 65.13 C ATOM 751 C GLU A 45 13.775 4.116 -5.599 1.00 52.23 C ATOM 752 O GLU A 45 13.482 2.922 -5.508 1.00 40.24 O ATOM 753 CB GLU A 45 15.125 5.858 -6.815 1.00 52.01 C ATOM 754 CG GLU A 45 16.489 6.336 -7.281 1.00 35.11 C ATOM 755 CD GLU A 45 16.415 7.620 -8.070 1.00 11.44 C ATOM 756 OE1 GLU A 45 16.051 7.573 -9.261 1.00 32.40 O ATOM 757 OE2 GLU A 45 16.743 8.687 -7.511 1.00 21.51 O ATOM 0 H GLU A 45 16.689 3.150 -6.428 1.00 0.40 H new ATOM 0 HA GLU A 45 15.776 4.706 -5.130 1.00 65.13 H new ATOM 0 HB2 GLU A 45 14.478 5.727 -7.682 1.00 52.01 H new ATOM 0 HB3 GLU A 45 14.671 6.629 -6.192 1.00 52.01 H new ATOM 0 HG2 GLU A 45 17.134 6.483 -6.415 1.00 35.11 H new ATOM 0 HG3 GLU A 45 16.951 5.563 -7.895 1.00 35.11 H new ATOM 764 N GLY A 46 12.919 5.087 -5.320 1.00 25.15 N ATOM 765 CA GLY A 46 11.568 4.784 -4.898 1.00 0.35 C ATOM 766 C GLY A 46 10.693 6.017 -4.861 1.00 60.23 C ATOM 767 O GLY A 46 10.578 6.732 -5.852 1.00 72.45 O ATOM 0 H GLY A 46 13.137 6.082 -5.379 1.00 25.15 H new ATOM 0 HA2 GLY A 46 11.132 4.051 -5.577 1.00 0.35 H new ATOM 0 HA3 GLY A 46 11.592 4.327 -3.909 1.00 0.35 H new ATOM 771 N LEU A 47 10.092 6.278 -3.710 1.00 1.10 N ATOM 772 CA LEU A 47 9.201 7.416 -3.547 1.00 75.44 C ATOM 773 C LEU A 47 9.520 8.123 -2.238 1.00 12.12 C ATOM 774 O LEU A 47 9.810 7.469 -1.236 1.00 2.33 O ATOM 775 CB LEU A 47 7.740 6.951 -3.554 1.00 15.43 C ATOM 776 CG LEU A 47 6.693 8.065 -3.599 1.00 52.05 C ATOM 777 CD1 LEU A 47 6.761 8.805 -4.926 1.00 40.33 C ATOM 778 CD2 LEU A 47 5.301 7.494 -3.373 1.00 2.24 C ATOM 0 H LEU A 47 10.207 5.712 -2.869 1.00 1.10 H new ATOM 0 HA LEU A 47 9.347 8.108 -4.376 1.00 75.44 H new ATOM 0 HB2 LEU A 47 7.589 6.300 -4.415 1.00 15.43 H new ATOM 0 HB3 LEU A 47 7.565 6.348 -2.663 1.00 15.43 H new ATOM 0 HG LEU A 47 6.907 8.775 -2.800 1.00 52.05 H new ATOM 0 HD11 LEU A 47 6.009 9.594 -4.941 1.00 40.33 H new ATOM 0 HD12 LEU A 47 7.751 9.244 -5.047 1.00 40.33 H new ATOM 0 HD13 LEU A 47 6.571 8.107 -5.742 1.00 40.33 H new ATOM 0 HD21 LEU A 47 4.567 8.299 -3.408 1.00 2.24 H new ATOM 0 HD22 LEU A 47 5.076 6.764 -4.151 1.00 2.24 H new ATOM 0 HD23 LEU A 47 5.261 7.009 -2.398 1.00 2.24 H new ATOM 790 N GLN A 48 9.481 9.448 -2.248 1.00 13.50 N ATOM 791 CA GLN A 48 9.788 10.219 -1.052 1.00 40.24 C ATOM 792 C GLN A 48 8.549 10.371 -0.183 1.00 42.22 C ATOM 793 O GLN A 48 7.446 9.995 -0.584 1.00 3.44 O ATOM 794 CB GLN A 48 10.349 11.597 -1.412 1.00 11.20 C ATOM 795 CG GLN A 48 11.840 11.612 -1.736 1.00 52.43 C ATOM 796 CD GLN A 48 12.335 10.332 -2.378 1.00 13.25 C ATOM 797 OE1 GLN A 48 12.803 9.422 -1.692 1.00 40.13 O ATOM 798 NE2 GLN A 48 12.214 10.242 -3.689 1.00 44.43 N ATOM 0 H GLN A 48 9.241 10.009 -3.066 1.00 13.50 H new ATOM 0 HA GLN A 48 10.549 9.676 -0.492 1.00 40.24 H new ATOM 0 HB2 GLN A 48 9.800 11.985 -2.270 1.00 11.20 H new ATOM 0 HB3 GLN A 48 10.164 12.278 -0.581 1.00 11.20 H new ATOM 0 HG2 GLN A 48 12.050 12.448 -2.403 1.00 52.43 H new ATOM 0 HG3 GLN A 48 12.401 11.789 -0.818 1.00 52.43 H new ATOM 0 HE21 GLN A 48 11.821 11.019 -4.219 1.00 44.43 H new ATOM 0 HE22 GLN A 48 12.514 9.395 -4.172 1.00 44.43 H new ATOM 807 N PHE A 49 8.733 10.955 0.989 1.00 53.31 N ATOM 808 CA PHE A 49 7.663 11.064 1.972 1.00 44.44 C ATOM 809 C PHE A 49 6.599 12.064 1.535 1.00 13.44 C ATOM 810 O PHE A 49 5.419 11.736 1.467 1.00 42.41 O ATOM 811 CB PHE A 49 8.231 11.471 3.331 1.00 11.04 C ATOM 812 CG PHE A 49 9.222 10.488 3.889 1.00 51.02 C ATOM 813 CD1 PHE A 49 8.792 9.356 4.565 1.00 21.23 C ATOM 814 CD2 PHE A 49 10.586 10.696 3.739 1.00 53.32 C ATOM 815 CE1 PHE A 49 9.701 8.452 5.080 1.00 41.22 C ATOM 816 CE2 PHE A 49 11.499 9.797 4.253 1.00 71.51 C ATOM 817 CZ PHE A 49 11.057 8.673 4.925 1.00 14.42 C ATOM 0 H PHE A 49 9.619 11.364 1.286 1.00 53.31 H new ATOM 0 HA PHE A 49 7.192 10.085 2.055 1.00 44.44 H new ATOM 0 HB2 PHE A 49 8.712 12.445 3.237 1.00 11.04 H new ATOM 0 HB3 PHE A 49 7.410 11.587 4.038 1.00 11.04 H new ATOM 0 HD1 PHE A 49 7.734 9.179 4.690 1.00 21.23 H new ATOM 0 HD2 PHE A 49 10.937 11.572 3.214 1.00 53.32 H new ATOM 0 HE1 PHE A 49 9.353 7.574 5.603 1.00 41.22 H new ATOM 0 HE2 PHE A 49 12.558 9.972 4.130 1.00 71.51 H new ATOM 0 HZ PHE A 49 11.770 7.969 5.328 1.00 14.42 H new ATOM 827 N HIS A 50 7.027 13.275 1.199 1.00 55.55 N ATOM 828 CA HIS A 50 6.088 14.347 0.863 1.00 60.31 C ATOM 829 C HIS A 50 5.545 14.197 -0.556 1.00 1.40 C ATOM 830 O HIS A 50 4.852 15.078 -1.060 1.00 31.11 O ATOM 831 CB HIS A 50 6.728 15.735 1.055 1.00 75.22 C ATOM 832 CG HIS A 50 8.047 15.924 0.358 1.00 64.11 C ATOM 833 ND1 HIS A 50 8.174 16.472 -0.899 1.00 64.14 N ATOM 834 CD2 HIS A 50 9.306 15.651 0.771 1.00 60.31 C ATOM 835 CE1 HIS A 50 9.451 16.529 -1.227 1.00 21.32 C ATOM 836 NE2 HIS A 50 10.161 16.037 -0.228 1.00 14.41 N ATOM 0 H HIS A 50 8.010 13.542 1.151 1.00 55.55 H new ATOM 0 HA HIS A 50 5.248 14.262 1.552 1.00 60.31 H new ATOM 0 HB2 HIS A 50 6.032 16.493 0.696 1.00 75.22 H new ATOM 0 HB3 HIS A 50 6.868 15.910 2.122 1.00 75.22 H new ATOM 0 HD2 HIS A 50 9.586 15.209 1.716 1.00 60.31 H new ATOM 0 HE1 HIS A 50 9.848 16.913 -2.155 1.00 21.32 H new ATOM 0 HE2 HIS A 50 11.178 15.957 -0.204 1.00 14.41 H new ATOM 845 N GLU A 51 5.851 13.073 -1.189 1.00 43.01 N ATOM 846 CA GLU A 51 5.329 12.779 -2.518 1.00 32.23 C ATOM 847 C GLU A 51 4.045 11.966 -2.388 1.00 44.03 C ATOM 848 O GLU A 51 3.307 11.777 -3.357 1.00 3.11 O ATOM 849 CB GLU A 51 6.353 11.995 -3.342 1.00 74.13 C ATOM 850 CG GLU A 51 7.739 12.622 -3.375 1.00 12.00 C ATOM 851 CD GLU A 51 7.756 14.000 -4.003 1.00 62.33 C ATOM 852 OE1 GLU A 51 7.537 14.989 -3.280 1.00 24.12 O ATOM 853 OE2 GLU A 51 8.009 14.100 -5.221 1.00 1.30 O ATOM 0 H GLU A 51 6.458 12.349 -0.804 1.00 43.01 H new ATOM 0 HA GLU A 51 5.122 13.719 -3.029 1.00 32.23 H new ATOM 0 HB2 GLU A 51 6.433 10.986 -2.937 1.00 74.13 H new ATOM 0 HB3 GLU A 51 5.985 11.900 -4.364 1.00 74.13 H new ATOM 0 HG2 GLU A 51 8.125 12.689 -2.358 1.00 12.00 H new ATOM 0 HG3 GLU A 51 8.413 11.969 -3.929 1.00 12.00 H new ATOM 860 N LEU A 52 3.792 11.490 -1.176 1.00 60.21 N ATOM 861 CA LEU A 52 2.642 10.644 -0.902 1.00 2.00 C ATOM 862 C LEU A 52 1.503 11.486 -0.333 1.00 72.22 C ATOM 863 O LEU A 52 1.506 11.845 0.845 1.00 2.04 O ATOM 864 CB LEU A 52 3.050 9.530 0.077 1.00 15.31 C ATOM 865 CG LEU A 52 2.153 8.282 0.111 1.00 25.10 C ATOM 866 CD1 LEU A 52 0.791 8.587 0.712 1.00 72.32 C ATOM 867 CD2 LEU A 52 2.002 7.695 -1.285 1.00 43.02 C ATOM 0 H LEU A 52 4.375 11.679 -0.361 1.00 60.21 H new ATOM 0 HA LEU A 52 2.293 10.183 -1.826 1.00 2.00 H new ATOM 0 HB2 LEU A 52 4.064 9.214 -0.169 1.00 15.31 H new ATOM 0 HB3 LEU A 52 3.083 9.954 1.081 1.00 15.31 H new ATOM 0 HG LEU A 52 2.638 7.545 0.751 1.00 25.10 H new ATOM 0 HD11 LEU A 52 0.185 7.681 0.719 1.00 72.32 H new ATOM 0 HD12 LEU A 52 0.916 8.948 1.733 1.00 72.32 H new ATOM 0 HD13 LEU A 52 0.293 9.352 0.116 1.00 72.32 H new ATOM 0 HD21 LEU A 52 1.364 6.812 -1.242 1.00 43.02 H new ATOM 0 HD22 LEU A 52 1.551 8.436 -1.945 1.00 43.02 H new ATOM 0 HD23 LEU A 52 2.983 7.415 -1.670 1.00 43.02 H new ATOM 879 N THR A 53 0.541 11.815 -1.182 1.00 12.50 N ATOM 880 CA THR A 53 -0.608 12.613 -0.772 1.00 33.20 C ATOM 881 C THR A 53 -1.913 11.919 -1.154 1.00 22.33 C ATOM 882 O THR A 53 -1.896 10.847 -1.765 1.00 24.43 O ATOM 883 CB THR A 53 -0.575 14.007 -1.426 1.00 1.30 C ATOM 884 OG1 THR A 53 -0.466 13.866 -2.848 1.00 74.44 O ATOM 885 CG2 THR A 53 0.586 14.836 -0.897 1.00 1.13 C ATOM 0 H THR A 53 0.532 11.541 -2.164 1.00 12.50 H new ATOM 0 HA THR A 53 -0.557 12.723 0.311 1.00 33.20 H new ATOM 0 HB THR A 53 -1.501 14.526 -1.177 1.00 1.30 H new ATOM 0 HG1 THR A 53 -0.447 14.753 -3.264 1.00 74.44 H new ATOM 0 HG21 THR A 53 0.583 15.815 -1.377 1.00 1.13 H new ATOM 0 HG22 THR A 53 0.483 14.960 0.181 1.00 1.13 H new ATOM 0 HG23 THR A 53 1.525 14.328 -1.115 1.00 1.13 H new ATOM 893 N GLU A 54 -3.041 12.533 -0.796 1.00 40.21 N ATOM 894 CA GLU A 54 -4.355 12.007 -1.146 1.00 1.54 C ATOM 895 C GLU A 54 -4.504 11.912 -2.660 1.00 14.03 C ATOM 896 O GLU A 54 -5.126 10.984 -3.179 1.00 3.41 O ATOM 897 CB GLU A 54 -5.477 12.902 -0.600 1.00 14.52 C ATOM 898 CG GLU A 54 -5.260 13.401 0.821 1.00 3.13 C ATOM 899 CD GLU A 54 -4.382 14.633 0.876 1.00 33.43 C ATOM 900 OE1 GLU A 54 -4.873 15.733 0.549 1.00 3.25 O ATOM 901 OE2 GLU A 54 -3.192 14.503 1.230 1.00 55.11 O ATOM 0 H GLU A 54 -3.068 13.401 -0.260 1.00 40.21 H new ATOM 0 HA GLU A 54 -4.437 11.016 -0.699 1.00 1.54 H new ATOM 0 HB2 GLU A 54 -5.589 13.763 -1.259 1.00 14.52 H new ATOM 0 HB3 GLU A 54 -6.415 12.348 -0.636 1.00 14.52 H new ATOM 0 HG2 GLU A 54 -6.225 13.626 1.275 1.00 3.13 H new ATOM 0 HG3 GLU A 54 -4.806 12.608 1.415 1.00 3.13 H new ATOM 908 N ASP A 55 -3.916 12.879 -3.360 1.00 45.21 N ATOM 909 CA ASP A 55 -3.996 12.939 -4.814 1.00 20.31 C ATOM 910 C ASP A 55 -3.373 11.695 -5.429 1.00 4.04 C ATOM 911 O ASP A 55 -3.924 11.116 -6.361 1.00 72.25 O ATOM 912 CB ASP A 55 -3.301 14.197 -5.343 1.00 24.45 C ATOM 913 CG ASP A 55 -3.403 14.334 -6.850 1.00 52.12 C ATOM 914 OD1 ASP A 55 -4.467 14.767 -7.340 1.00 25.20 O ATOM 915 OD2 ASP A 55 -2.419 14.018 -7.551 1.00 54.41 O ATOM 0 H ASP A 55 -3.376 13.635 -2.939 1.00 45.21 H new ATOM 0 HA ASP A 55 -5.048 12.982 -5.098 1.00 20.31 H new ATOM 0 HB2 ASP A 55 -3.742 15.076 -4.872 1.00 24.45 H new ATOM 0 HB3 ASP A 55 -2.250 14.175 -5.055 1.00 24.45 H new ATOM 920 N PHE A 56 -2.238 11.276 -4.877 1.00 64.51 N ATOM 921 CA PHE A 56 -1.554 10.075 -5.343 1.00 42.13 C ATOM 922 C PHE A 56 -2.444 8.850 -5.161 1.00 31.24 C ATOM 923 O PHE A 56 -2.611 8.052 -6.082 1.00 41.21 O ATOM 924 CB PHE A 56 -0.232 9.880 -4.591 1.00 45.54 C ATOM 925 CG PHE A 56 0.580 8.711 -5.082 1.00 24.10 C ATOM 926 CD1 PHE A 56 1.499 8.874 -6.105 1.00 44.15 C ATOM 927 CD2 PHE A 56 0.426 7.453 -4.518 1.00 65.21 C ATOM 928 CE1 PHE A 56 2.249 7.807 -6.557 1.00 22.25 C ATOM 929 CE2 PHE A 56 1.172 6.381 -4.967 1.00 51.34 C ATOM 930 CZ PHE A 56 2.086 6.559 -5.987 1.00 23.35 C ATOM 0 H PHE A 56 -1.772 11.752 -4.105 1.00 64.51 H new ATOM 0 HA PHE A 56 -1.337 10.197 -6.404 1.00 42.13 H new ATOM 0 HB2 PHE A 56 0.364 10.788 -4.682 1.00 45.54 H new ATOM 0 HB3 PHE A 56 -0.445 9.743 -3.531 1.00 45.54 H new ATOM 0 HD1 PHE A 56 1.630 9.847 -6.554 1.00 44.15 H new ATOM 0 HD2 PHE A 56 -0.286 7.310 -3.718 1.00 65.21 H new ATOM 0 HE1 PHE A 56 2.963 7.948 -7.355 1.00 22.25 H new ATOM 0 HE2 PHE A 56 1.041 5.406 -4.522 1.00 51.34 H new ATOM 0 HZ PHE A 56 2.673 5.723 -6.339 1.00 23.35 H new ATOM 940 N LEU A 57 -3.013 8.712 -3.968 1.00 41.22 N ATOM 941 CA LEU A 57 -3.895 7.595 -3.657 1.00 21.43 C ATOM 942 C LEU A 57 -5.101 7.566 -4.592 1.00 55.31 C ATOM 943 O LEU A 57 -5.465 6.516 -5.122 1.00 71.45 O ATOM 944 CB LEU A 57 -4.364 7.689 -2.200 1.00 54.21 C ATOM 945 CG LEU A 57 -3.424 7.083 -1.152 1.00 15.44 C ATOM 946 CD1 LEU A 57 -3.352 5.573 -1.312 1.00 22.10 C ATOM 947 CD2 LEU A 57 -2.034 7.691 -1.243 1.00 51.14 C ATOM 0 H LEU A 57 -2.877 9.365 -3.196 1.00 41.22 H new ATOM 0 HA LEU A 57 -3.335 6.671 -3.799 1.00 21.43 H new ATOM 0 HB2 LEU A 57 -4.519 8.740 -1.956 1.00 54.21 H new ATOM 0 HB3 LEU A 57 -5.333 7.197 -2.118 1.00 54.21 H new ATOM 0 HG LEU A 57 -3.829 7.313 -0.166 1.00 15.44 H new ATOM 0 HD11 LEU A 57 -2.680 5.159 -0.560 1.00 22.10 H new ATOM 0 HD12 LEU A 57 -4.347 5.146 -1.185 1.00 22.10 H new ATOM 0 HD13 LEU A 57 -2.977 5.330 -2.306 1.00 22.10 H new ATOM 0 HD21 LEU A 57 -1.390 7.241 -0.487 1.00 51.14 H new ATOM 0 HD22 LEU A 57 -1.618 7.502 -2.233 1.00 51.14 H new ATOM 0 HD23 LEU A 57 -2.095 8.766 -1.074 1.00 51.14 H new ATOM 959 N ARG A 58 -5.704 8.726 -4.801 1.00 44.33 N ATOM 960 CA ARG A 58 -6.884 8.835 -5.646 1.00 4.05 C ATOM 961 C ARG A 58 -6.542 8.561 -7.110 1.00 60.15 C ATOM 962 O ARG A 58 -7.258 7.827 -7.794 1.00 55.41 O ATOM 963 CB ARG A 58 -7.502 10.225 -5.496 1.00 15.42 C ATOM 964 CG ARG A 58 -8.736 10.447 -6.348 1.00 21.25 C ATOM 965 CD ARG A 58 -9.340 11.814 -6.086 1.00 52.15 C ATOM 966 NE ARG A 58 -10.477 12.084 -6.960 1.00 0.32 N ATOM 967 CZ ARG A 58 -11.532 12.815 -6.609 1.00 43.31 C ATOM 968 NH1 ARG A 58 -11.642 13.306 -5.378 1.00 11.52 N ATOM 969 NH2 ARG A 58 -12.487 13.043 -7.496 1.00 14.11 N ATOM 0 H ARG A 58 -5.394 9.609 -4.395 1.00 44.33 H new ATOM 0 HA ARG A 58 -7.606 8.084 -5.326 1.00 4.05 H new ATOM 0 HB2 ARG A 58 -7.762 10.385 -4.450 1.00 15.42 H new ATOM 0 HB3 ARG A 58 -6.754 10.974 -5.756 1.00 15.42 H new ATOM 0 HG2 ARG A 58 -8.475 10.357 -7.402 1.00 21.25 H new ATOM 0 HG3 ARG A 58 -9.473 9.673 -6.135 1.00 21.25 H new ATOM 0 HD2 ARG A 58 -9.659 11.876 -5.046 1.00 52.15 H new ATOM 0 HD3 ARG A 58 -8.579 12.581 -6.233 1.00 52.15 H new ATOM 0 HE ARG A 58 -10.462 11.687 -7.900 1.00 0.32 H new ATOM 0 HH11 ARG A 58 -10.912 13.124 -4.689 1.00 11.52 H new ATOM 0 HH12 ARG A 58 -12.456 13.865 -5.123 1.00 11.52 H new ATOM 0 HH21 ARG A 58 -12.410 12.660 -8.438 1.00 14.11 H new ATOM 0 HH22 ARG A 58 -13.300 13.602 -7.238 1.00 14.11 H new ATOM 983 N ASP A 59 -5.447 9.145 -7.577 1.00 13.02 N ATOM 984 CA ASP A 59 -4.999 8.956 -8.956 1.00 14.01 C ATOM 985 C ASP A 59 -4.661 7.491 -9.218 1.00 2.52 C ATOM 986 O ASP A 59 -5.035 6.929 -10.249 1.00 31.11 O ATOM 987 CB ASP A 59 -3.775 9.829 -9.245 1.00 13.15 C ATOM 988 CG ASP A 59 -3.373 9.809 -10.706 1.00 42.13 C ATOM 989 OD1 ASP A 59 -2.660 8.873 -11.125 1.00 11.00 O ATOM 990 OD2 ASP A 59 -3.759 10.741 -11.445 1.00 12.02 O ATOM 0 H ASP A 59 -4.849 9.756 -7.021 1.00 13.02 H new ATOM 0 HA ASP A 59 -5.812 9.252 -9.619 1.00 14.01 H new ATOM 0 HB2 ASP A 59 -3.987 10.855 -8.945 1.00 13.15 H new ATOM 0 HB3 ASP A 59 -2.938 9.486 -8.637 1.00 13.15 H new ATOM 995 N TYR A 60 -3.968 6.872 -8.267 1.00 74.33 N ATOM 996 CA TYR A 60 -3.570 5.476 -8.395 1.00 23.32 C ATOM 997 C TYR A 60 -4.799 4.573 -8.348 1.00 74.32 C ATOM 998 O TYR A 60 -4.839 3.526 -8.995 1.00 34.52 O ATOM 999 CB TYR A 60 -2.590 5.095 -7.284 1.00 3.25 C ATOM 1000 CG TYR A 60 -1.717 3.905 -7.618 1.00 12.44 C ATOM 1001 CD1 TYR A 60 -2.186 2.605 -7.477 1.00 62.31 C ATOM 1002 CD2 TYR A 60 -0.421 4.087 -8.083 1.00 41.43 C ATOM 1003 CE1 TYR A 60 -1.385 1.521 -7.784 1.00 40.13 C ATOM 1004 CE2 TYR A 60 0.385 3.009 -8.392 1.00 64.24 C ATOM 1005 CZ TYR A 60 -0.102 1.729 -8.242 1.00 14.51 C ATOM 1006 OH TYR A 60 0.702 0.652 -8.551 1.00 64.21 O ATOM 0 H TYR A 60 -3.671 7.317 -7.399 1.00 74.33 H new ATOM 0 HA TYR A 60 -3.072 5.343 -9.355 1.00 23.32 H new ATOM 0 HB2 TYR A 60 -1.952 5.952 -7.066 1.00 3.25 H new ATOM 0 HB3 TYR A 60 -3.152 4.877 -6.376 1.00 3.25 H new ATOM 0 HD1 TYR A 60 -3.192 2.439 -7.122 1.00 62.31 H new ATOM 0 HD2 TYR A 60 -0.037 5.089 -8.205 1.00 41.43 H new ATOM 0 HE1 TYR A 60 -1.763 0.516 -7.666 1.00 40.13 H new ATOM 0 HE2 TYR A 60 1.392 3.169 -8.749 1.00 64.24 H new ATOM 0 HH TYR A 60 1.327 0.904 -9.262 1.00 64.21 H new ATOM 1016 N LEU A 61 -5.800 4.987 -7.578 1.00 20.30 N ATOM 1017 CA LEU A 61 -7.077 4.290 -7.532 1.00 65.43 C ATOM 1018 C LEU A 61 -7.699 4.247 -8.921 1.00 0.41 C ATOM 1019 O LEU A 61 -8.141 3.197 -9.387 1.00 73.31 O ATOM 1020 CB LEU A 61 -8.020 4.997 -6.559 1.00 21.50 C ATOM 1021 CG LEU A 61 -9.455 4.471 -6.532 1.00 12.24 C ATOM 1022 CD1 LEU A 61 -9.499 3.043 -6.018 1.00 3.53 C ATOM 1023 CD2 LEU A 61 -10.333 5.374 -5.682 1.00 41.22 C ATOM 0 H LEU A 61 -5.749 5.807 -6.974 1.00 20.30 H new ATOM 0 HA LEU A 61 -6.911 3.269 -7.188 1.00 65.43 H new ATOM 0 HB2 LEU A 61 -7.604 4.918 -5.555 1.00 21.50 H new ATOM 0 HB3 LEU A 61 -8.045 6.057 -6.811 1.00 21.50 H new ATOM 0 HG LEU A 61 -9.840 4.473 -7.552 1.00 12.24 H new ATOM 0 HD11 LEU A 61 -10.531 2.691 -6.008 1.00 3.53 H new ATOM 0 HD12 LEU A 61 -8.904 2.403 -6.670 1.00 3.53 H new ATOM 0 HD13 LEU A 61 -9.094 3.008 -5.007 1.00 3.53 H new ATOM 0 HD21 LEU A 61 -11.352 4.987 -5.672 1.00 41.22 H new ATOM 0 HD22 LEU A 61 -9.946 5.403 -4.663 1.00 41.22 H new ATOM 0 HD23 LEU A 61 -10.332 6.381 -6.100 1.00 41.22 H new ATOM 1035 N ILE A 62 -7.719 5.398 -9.574 1.00 14.32 N ATOM 1036 CA ILE A 62 -8.204 5.495 -10.947 1.00 22.30 C ATOM 1037 C ILE A 62 -7.376 4.599 -11.872 1.00 55.22 C ATOM 1038 O ILE A 62 -7.925 3.886 -12.707 1.00 72.23 O ATOM 1039 CB ILE A 62 -8.168 6.952 -11.459 1.00 14.15 C ATOM 1040 CG1 ILE A 62 -9.026 7.848 -10.560 1.00 25.31 C ATOM 1041 CG2 ILE A 62 -8.654 7.028 -12.903 1.00 62.14 C ATOM 1042 CD1 ILE A 62 -8.967 9.317 -10.926 1.00 34.43 C ATOM 0 H ILE A 62 -7.404 6.283 -9.176 1.00 14.32 H new ATOM 0 HA ILE A 62 -9.241 5.158 -10.953 1.00 22.30 H new ATOM 0 HB ILE A 62 -7.137 7.305 -11.427 1.00 14.15 H new ATOM 0 HG12 ILE A 62 -10.062 7.512 -10.610 1.00 25.31 H new ATOM 0 HG13 ILE A 62 -8.701 7.727 -9.526 1.00 25.31 H new ATOM 0 HG21 ILE A 62 -8.621 8.063 -13.244 1.00 62.14 H new ATOM 0 HG22 ILE A 62 -8.011 6.416 -13.536 1.00 62.14 H new ATOM 0 HG23 ILE A 62 -9.678 6.659 -12.962 1.00 62.14 H new ATOM 0 HD11 ILE A 62 -9.599 9.887 -10.246 1.00 34.43 H new ATOM 0 HD12 ILE A 62 -7.939 9.670 -10.848 1.00 34.43 H new ATOM 0 HD13 ILE A 62 -9.320 9.452 -11.948 1.00 34.43 H new ATOM 1054 N TYR A 63 -6.056 4.633 -11.704 1.00 34.14 N ATOM 1055 CA TYR A 63 -5.151 3.761 -12.455 1.00 35.33 C ATOM 1056 C TYR A 63 -5.534 2.291 -12.265 1.00 13.32 C ATOM 1057 O TYR A 63 -5.570 1.513 -13.220 1.00 33.33 O ATOM 1058 CB TYR A 63 -3.702 4.004 -11.999 1.00 3.12 C ATOM 1059 CG TYR A 63 -2.706 2.950 -12.447 1.00 54.24 C ATOM 1060 CD1 TYR A 63 -2.220 2.925 -13.751 1.00 74.51 C ATOM 1061 CD2 TYR A 63 -2.246 1.981 -11.560 1.00 34.21 C ATOM 1062 CE1 TYR A 63 -1.308 1.964 -14.154 1.00 12.43 C ATOM 1063 CE2 TYR A 63 -1.336 1.022 -11.956 1.00 61.42 C ATOM 1064 CZ TYR A 63 -0.870 1.016 -13.253 1.00 12.43 C ATOM 1065 OH TYR A 63 0.039 0.054 -13.651 1.00 31.10 O ATOM 0 H TYR A 63 -5.585 5.259 -11.050 1.00 34.14 H new ATOM 0 HA TYR A 63 -5.235 3.996 -13.516 1.00 35.33 H new ATOM 0 HB2 TYR A 63 -3.376 4.974 -12.375 1.00 3.12 H new ATOM 0 HB3 TYR A 63 -3.684 4.061 -10.911 1.00 3.12 H new ATOM 0 HD1 TYR A 63 -2.559 3.666 -14.459 1.00 74.51 H new ATOM 0 HD2 TYR A 63 -2.608 1.980 -10.543 1.00 34.21 H new ATOM 0 HE1 TYR A 63 -0.941 1.957 -15.170 1.00 12.43 H new ATOM 0 HE2 TYR A 63 -0.990 0.279 -11.252 1.00 61.42 H new ATOM 0 HH TYR A 63 0.611 0.418 -14.359 1.00 31.10 H new ATOM 1075 N MET A 64 -5.833 1.931 -11.029 1.00 20.21 N ATOM 1076 CA MET A 64 -6.202 0.565 -10.686 1.00 41.24 C ATOM 1077 C MET A 64 -7.535 0.185 -11.326 1.00 64.12 C ATOM 1078 O MET A 64 -7.674 -0.891 -11.906 1.00 60.41 O ATOM 1079 CB MET A 64 -6.306 0.426 -9.169 1.00 31.55 C ATOM 1080 CG MET A 64 -6.367 -1.009 -8.680 1.00 0.04 C ATOM 1081 SD MET A 64 -4.799 -1.561 -7.981 1.00 15.35 S ATOM 1082 CE MET A 64 -4.514 -0.285 -6.751 1.00 74.41 C ATOM 0 H MET A 64 -5.828 2.573 -10.236 1.00 20.21 H new ATOM 0 HA MET A 64 -5.431 -0.106 -11.066 1.00 41.24 H new ATOM 0 HB2 MET A 64 -5.449 0.918 -8.710 1.00 31.55 H new ATOM 0 HB3 MET A 64 -7.197 0.953 -8.827 1.00 31.55 H new ATOM 0 HG2 MET A 64 -7.150 -1.101 -7.928 1.00 0.04 H new ATOM 0 HG3 MET A 64 -6.643 -1.661 -9.509 1.00 0.04 H new ATOM 0 HE1 MET A 64 -3.832 -0.661 -5.988 1.00 74.41 H new ATOM 0 HE2 MET A 64 -4.076 0.591 -7.230 1.00 74.41 H new ATOM 0 HE3 MET A 64 -5.461 -0.009 -6.287 1.00 74.41 H new ATOM 1092 N LYS A 65 -8.504 1.079 -11.224 1.00 14.03 N ATOM 1093 CA LYS A 65 -9.844 0.821 -11.734 1.00 31.11 C ATOM 1094 C LYS A 65 -9.859 0.840 -13.263 1.00 60.41 C ATOM 1095 O LYS A 65 -10.397 -0.066 -13.898 1.00 34.23 O ATOM 1096 CB LYS A 65 -10.824 1.862 -11.166 1.00 4.00 C ATOM 1097 CG LYS A 65 -12.303 1.539 -11.371 1.00 53.04 C ATOM 1098 CD LYS A 65 -12.766 1.813 -12.795 1.00 3.40 C ATOM 1099 CE LYS A 65 -14.247 1.522 -12.967 1.00 3.14 C ATOM 1100 NZ LYS A 65 -14.692 1.735 -14.367 1.00 64.14 N ATOM 0 H LYS A 65 -8.389 1.995 -10.791 1.00 14.03 H new ATOM 0 HA LYS A 65 -10.157 -0.172 -11.412 1.00 31.11 H new ATOM 0 HB2 LYS A 65 -10.636 1.970 -10.098 1.00 4.00 H new ATOM 0 HB3 LYS A 65 -10.612 2.827 -11.626 1.00 4.00 H new ATOM 0 HG2 LYS A 65 -12.480 0.491 -11.130 1.00 53.04 H new ATOM 0 HG3 LYS A 65 -12.901 2.131 -10.678 1.00 53.04 H new ATOM 0 HD2 LYS A 65 -12.567 2.854 -13.049 1.00 3.40 H new ATOM 0 HD3 LYS A 65 -12.191 1.200 -13.489 1.00 3.40 H new ATOM 0 HE2 LYS A 65 -14.452 0.492 -12.673 1.00 3.14 H new ATOM 0 HE3 LYS A 65 -14.823 2.164 -12.301 1.00 3.14 H new ATOM 0 HZ1 LYS A 65 -15.708 1.526 -14.444 1.00 64.14 H new ATOM 0 HZ2 LYS A 65 -14.520 2.724 -14.639 1.00 64.14 H new ATOM 0 HZ3 LYS A 65 -14.160 1.104 -15.000 1.00 64.14 H new ATOM 1114 N LYS A 66 -9.262 1.868 -13.845 1.00 31.22 N ATOM 1115 CA LYS A 66 -9.340 2.082 -15.285 1.00 54.13 C ATOM 1116 C LYS A 66 -8.300 1.240 -16.023 1.00 34.10 C ATOM 1117 O LYS A 66 -8.648 0.369 -16.819 1.00 63.35 O ATOM 1118 CB LYS A 66 -9.156 3.577 -15.598 1.00 20.41 C ATOM 1119 CG LYS A 66 -9.677 4.013 -16.964 1.00 12.33 C ATOM 1120 CD LYS A 66 -8.792 3.528 -18.099 1.00 72.42 C ATOM 1121 CE LYS A 66 -9.399 3.857 -19.448 1.00 12.01 C ATOM 1122 NZ LYS A 66 -8.567 3.344 -20.568 1.00 32.12 N ATOM 0 H LYS A 66 -8.717 2.569 -13.343 1.00 31.22 H new ATOM 0 HA LYS A 66 -10.324 1.766 -15.632 1.00 54.13 H new ATOM 0 HB2 LYS A 66 -9.662 4.160 -14.829 1.00 20.41 H new ATOM 0 HB3 LYS A 66 -8.095 3.819 -15.535 1.00 20.41 H new ATOM 0 HG2 LYS A 66 -10.688 3.629 -17.105 1.00 12.33 H new ATOM 0 HG3 LYS A 66 -9.742 5.101 -16.996 1.00 12.33 H new ATOM 0 HD2 LYS A 66 -7.808 3.989 -18.018 1.00 72.42 H new ATOM 0 HD3 LYS A 66 -8.647 2.451 -18.016 1.00 72.42 H new ATOM 0 HE2 LYS A 66 -10.399 3.427 -19.511 1.00 12.01 H new ATOM 0 HE3 LYS A 66 -9.510 4.937 -19.543 1.00 12.01 H new ATOM 0 HZ1 LYS A 66 -9.015 3.589 -21.474 1.00 32.12 H new ATOM 0 HZ2 LYS A 66 -7.621 3.773 -20.523 1.00 32.12 H new ATOM 0 HZ3 LYS A 66 -8.482 2.310 -20.492 1.00 32.12 H new ATOM 1136 N THR A 67 -7.030 1.490 -15.741 1.00 41.01 N ATOM 1137 CA THR A 67 -5.941 0.868 -16.481 1.00 5.32 C ATOM 1138 C THR A 67 -5.799 -0.618 -16.142 1.00 35.21 C ATOM 1139 O THR A 67 -5.605 -1.449 -17.029 1.00 15.40 O ATOM 1140 CB THR A 67 -4.614 1.598 -16.200 1.00 42.32 C ATOM 1141 OG1 THR A 67 -4.818 3.016 -16.292 1.00 71.25 O ATOM 1142 CG2 THR A 67 -3.539 1.173 -17.188 1.00 53.32 C ATOM 0 H THR A 67 -6.727 2.123 -15.001 1.00 41.01 H new ATOM 0 HA THR A 67 -6.181 0.949 -17.541 1.00 5.32 H new ATOM 0 HB THR A 67 -4.282 1.335 -15.196 1.00 42.32 H new ATOM 0 HG1 THR A 67 -3.974 3.480 -16.111 1.00 71.25 H new ATOM 0 HG21 THR A 67 -2.612 1.703 -16.968 1.00 53.32 H new ATOM 0 HG22 THR A 67 -3.372 0.099 -17.104 1.00 53.32 H new ATOM 0 HG23 THR A 67 -3.861 1.412 -18.201 1.00 53.32 H new ATOM 1150 N LEU A 68 -5.904 -0.950 -14.861 1.00 2.11 N ATOM 1151 CA LEU A 68 -5.772 -2.338 -14.426 1.00 52.32 C ATOM 1152 C LEU A 68 -7.104 -3.073 -14.517 1.00 65.41 C ATOM 1153 O LEU A 68 -7.138 -4.308 -14.523 1.00 54.41 O ATOM 1154 CB LEU A 68 -5.254 -2.407 -12.992 1.00 64.23 C ATOM 1155 CG LEU A 68 -3.864 -1.820 -12.757 1.00 11.25 C ATOM 1156 CD1 LEU A 68 -3.485 -1.960 -11.292 1.00 63.22 C ATOM 1157 CD2 LEU A 68 -2.836 -2.503 -13.646 1.00 54.51 C ATOM 0 H LEU A 68 -6.079 -0.284 -14.109 1.00 2.11 H new ATOM 0 HA LEU A 68 -5.057 -2.822 -15.092 1.00 52.32 H new ATOM 0 HB2 LEU A 68 -5.961 -1.887 -12.345 1.00 64.23 H new ATOM 0 HB3 LEU A 68 -5.244 -3.451 -12.679 1.00 64.23 H new ATOM 0 HG LEU A 68 -3.881 -0.761 -13.015 1.00 11.25 H new ATOM 0 HD11 LEU A 68 -2.492 -1.539 -11.131 1.00 63.22 H new ATOM 0 HD12 LEU A 68 -4.209 -1.427 -10.676 1.00 63.22 H new ATOM 0 HD13 LEU A 68 -3.481 -3.015 -11.016 1.00 63.22 H new ATOM 0 HD21 LEU A 68 -1.852 -2.070 -13.463 1.00 54.51 H new ATOM 0 HD22 LEU A 68 -2.811 -3.569 -13.421 1.00 54.51 H new ATOM 0 HD23 LEU A 68 -3.107 -2.360 -14.692 1.00 54.51 H new ATOM 1169 N CYS A 69 -8.190 -2.304 -14.573 1.00 2.42 N ATOM 1170 CA CYS A 69 -9.544 -2.849 -14.651 1.00 13.51 C ATOM 1171 C CYS A 69 -9.882 -3.624 -13.373 1.00 44.22 C ATOM 1172 O CYS A 69 -10.598 -4.628 -13.403 1.00 64.24 O ATOM 1173 CB CYS A 69 -9.697 -3.742 -15.892 1.00 11.34 C ATOM 1174 SG CYS A 69 -11.409 -4.104 -16.353 1.00 0.52 S ATOM 0 H CYS A 69 -8.156 -1.285 -14.566 1.00 2.42 H new ATOM 0 HA CYS A 69 -10.247 -2.021 -14.743 1.00 13.51 H new ATOM 0 HB2 CYS A 69 -9.202 -3.259 -16.734 1.00 11.34 H new ATOM 0 HB3 CYS A 69 -9.176 -4.683 -15.713 1.00 11.34 H new ATOM 0 HG CYS A 69 -11.423 -4.860 -17.410 1.00 0.52 H new ATOM 1180 N ASN A 70 -9.371 -3.144 -12.246 1.00 44.43 N ATOM 1181 CA ASN A 70 -9.635 -3.771 -10.958 1.00 63.33 C ATOM 1182 C ASN A 70 -10.767 -3.059 -10.235 1.00 1.31 C ATOM 1183 O ASN A 70 -10.968 -1.856 -10.407 1.00 0.31 O ATOM 1184 CB ASN A 70 -8.382 -3.765 -10.078 1.00 63.12 C ATOM 1185 CG ASN A 70 -7.308 -4.719 -10.567 1.00 12.20 C ATOM 1186 OD1 ASN A 70 -7.718 -5.849 -11.117 1.00 15.03 O flip ATOM 1187 ND2 ASN A 70 -6.116 -4.445 -10.442 1.00 1.24 N flip ATOM 0 H ASN A 70 -8.770 -2.321 -12.199 1.00 44.43 H new ATOM 0 HA ASN A 70 -9.927 -4.804 -11.148 1.00 63.33 H new ATOM 0 HB2 ASN A 70 -7.974 -2.755 -10.043 1.00 63.12 H new ATOM 0 HB3 ASN A 70 -8.660 -4.032 -9.058 1.00 63.12 H new ATOM 0 HD21 ASN A 70 -5.838 -3.563 -10.012 1.00 1.24 H new ATOM 0 HD22 ASN A 70 -5.405 -5.100 -10.768 1.00 1.24 H new ATOM 1194 N ALA A 71 -11.506 -3.807 -9.428 1.00 41.31 N ATOM 1195 CA ALA A 71 -12.623 -3.248 -8.680 1.00 4.21 C ATOM 1196 C ALA A 71 -12.139 -2.535 -7.419 1.00 2.03 C ATOM 1197 O ALA A 71 -10.962 -2.621 -7.059 1.00 75.42 O ATOM 1198 CB ALA A 71 -13.620 -4.339 -8.320 1.00 60.33 C ATOM 0 H ALA A 71 -11.352 -4.804 -9.274 1.00 41.31 H new ATOM 0 HA ALA A 71 -13.119 -2.514 -9.315 1.00 4.21 H new ATOM 0 HB1 ALA A 71 -14.449 -3.904 -7.761 1.00 60.33 H new ATOM 0 HB2 ALA A 71 -13.999 -4.800 -9.232 1.00 60.33 H new ATOM 0 HB3 ALA A 71 -13.127 -5.095 -7.709 1.00 60.33 H new ATOM 1204 N ASP A 72 -13.063 -1.855 -6.744 1.00 13.43 N ATOM 1205 CA ASP A 72 -12.748 -1.067 -5.549 1.00 54.52 C ATOM 1206 C ASP A 72 -12.067 -1.918 -4.487 1.00 54.13 C ATOM 1207 O ASP A 72 -11.039 -1.528 -3.928 1.00 22.25 O ATOM 1208 CB ASP A 72 -14.023 -0.460 -4.957 1.00 31.45 C ATOM 1209 CG ASP A 72 -14.746 0.461 -5.918 1.00 45.04 C ATOM 1210 OD1 ASP A 72 -15.366 -0.045 -6.879 1.00 21.51 O ATOM 1211 OD2 ASP A 72 -14.715 1.688 -5.705 1.00 61.13 O ATOM 0 H ASP A 72 -14.048 -1.833 -7.007 1.00 13.43 H new ATOM 0 HA ASP A 72 -12.067 -0.272 -5.854 1.00 54.52 H new ATOM 0 HB2 ASP A 72 -14.696 -1.264 -4.658 1.00 31.45 H new ATOM 0 HB3 ASP A 72 -13.768 0.095 -4.054 1.00 31.45 H new ATOM 1216 N SER A 73 -12.645 -3.081 -4.223 1.00 1.23 N ATOM 1217 CA SER A 73 -12.143 -3.984 -3.198 1.00 63.52 C ATOM 1218 C SER A 73 -10.684 -4.358 -3.465 1.00 65.11 C ATOM 1219 O SER A 73 -9.840 -4.296 -2.570 1.00 24.24 O ATOM 1220 CB SER A 73 -13.014 -5.238 -3.165 1.00 21.30 C ATOM 1221 OG SER A 73 -14.387 -4.896 -3.279 1.00 52.41 O ATOM 0 H SER A 73 -13.472 -3.424 -4.711 1.00 1.23 H new ATOM 0 HA SER A 73 -12.186 -3.482 -2.231 1.00 63.52 H new ATOM 0 HB2 SER A 73 -12.731 -5.905 -3.979 1.00 21.30 H new ATOM 0 HB3 SER A 73 -12.845 -5.780 -2.235 1.00 21.30 H new ATOM 0 HG SER A 73 -14.930 -5.711 -3.258 1.00 52.41 H new ATOM 1227 N THR A 74 -10.394 -4.720 -4.711 1.00 0.32 N ATOM 1228 CA THR A 74 -9.044 -5.091 -5.111 1.00 33.54 C ATOM 1229 C THR A 74 -8.093 -3.901 -4.986 1.00 3.02 C ATOM 1230 O THR A 74 -6.969 -4.038 -4.500 1.00 54.21 O ATOM 1231 CB THR A 74 -9.033 -5.605 -6.565 1.00 3.21 C ATOM 1232 OG1 THR A 74 -9.981 -6.669 -6.714 1.00 74.54 O ATOM 1233 CG2 THR A 74 -7.649 -6.097 -6.967 1.00 23.31 C ATOM 0 H THR A 74 -11.081 -4.764 -5.464 1.00 0.32 H new ATOM 0 HA THR A 74 -8.706 -5.885 -4.446 1.00 33.54 H new ATOM 0 HB THR A 74 -9.305 -4.775 -7.217 1.00 3.21 H new ATOM 0 HG1 THR A 74 -9.970 -6.990 -7.640 1.00 74.54 H new ATOM 0 HG21 THR A 74 -7.674 -6.453 -7.997 1.00 23.31 H new ATOM 0 HG22 THR A 74 -6.933 -5.279 -6.883 1.00 23.31 H new ATOM 0 HG23 THR A 74 -7.347 -6.912 -6.309 1.00 23.31 H new ATOM 1241 N ALA A 75 -8.566 -2.734 -5.407 1.00 71.13 N ATOM 1242 CA ALA A 75 -7.758 -1.521 -5.398 1.00 1.02 C ATOM 1243 C ALA A 75 -7.339 -1.133 -3.985 1.00 11.11 C ATOM 1244 O ALA A 75 -6.166 -0.860 -3.733 1.00 12.22 O ATOM 1245 CB ALA A 75 -8.525 -0.380 -6.048 1.00 0.33 C ATOM 0 H ALA A 75 -9.513 -2.602 -5.762 1.00 71.13 H new ATOM 0 HA ALA A 75 -6.851 -1.721 -5.969 1.00 1.02 H new ATOM 0 HB1 ALA A 75 -7.914 0.522 -6.037 1.00 0.33 H new ATOM 0 HB2 ALA A 75 -8.765 -0.643 -7.078 1.00 0.33 H new ATOM 0 HB3 ALA A 75 -9.447 -0.200 -5.495 1.00 0.33 H new ATOM 1251 N GLN A 76 -8.297 -1.131 -3.066 1.00 4.44 N ATOM 1252 CA GLN A 76 -8.055 -0.700 -1.703 1.00 54.44 C ATOM 1253 C GLN A 76 -7.039 -1.591 -1.002 1.00 4.03 C ATOM 1254 O GLN A 76 -6.096 -1.090 -0.395 1.00 35.51 O ATOM 1255 CB GLN A 76 -9.372 -0.677 -0.932 1.00 13.53 C ATOM 1256 CG GLN A 76 -10.285 0.481 -1.312 1.00 64.21 C ATOM 1257 CD GLN A 76 -9.676 1.841 -1.017 1.00 52.54 C ATOM 1258 OE1 GLN A 76 -8.892 2.001 -0.081 1.00 71.21 O ATOM 1259 NE2 GLN A 76 -10.038 2.837 -1.812 1.00 20.10 N ATOM 0 H GLN A 76 -9.256 -1.427 -3.247 1.00 4.44 H new ATOM 0 HA GLN A 76 -7.635 0.305 -1.733 1.00 54.44 H new ATOM 0 HB2 GLN A 76 -9.900 -1.615 -1.104 1.00 13.53 H new ATOM 0 HB3 GLN A 76 -9.157 -0.623 0.135 1.00 13.53 H new ATOM 0 HG2 GLN A 76 -10.520 0.417 -2.375 1.00 64.21 H new ATOM 0 HG3 GLN A 76 -11.227 0.386 -0.771 1.00 64.21 H new ATOM 0 HE21 GLN A 76 -10.690 2.667 -2.578 1.00 20.10 H new ATOM 0 HE22 GLN A 76 -9.665 3.774 -1.658 1.00 20.10 H new ATOM 1268 N ARG A 77 -7.208 -2.908 -1.106 1.00 35.41 N ATOM 1269 CA ARG A 77 -6.297 -3.837 -0.440 1.00 11.51 C ATOM 1270 C ARG A 77 -4.902 -3.796 -1.066 1.00 52.11 C ATOM 1271 O ARG A 77 -3.913 -4.131 -0.413 1.00 31.21 O ATOM 1272 CB ARG A 77 -6.865 -5.268 -0.396 1.00 21.21 C ATOM 1273 CG ARG A 77 -7.298 -5.854 -1.733 1.00 24.31 C ATOM 1274 CD ARG A 77 -6.194 -6.661 -2.398 1.00 43.31 C ATOM 1275 NE ARG A 77 -6.750 -7.649 -3.326 1.00 12.21 N ATOM 1276 CZ ARG A 77 -6.109 -8.144 -4.382 1.00 32.45 C ATOM 1277 NH1 ARG A 77 -4.882 -7.744 -4.682 1.00 11.51 N ATOM 1278 NH2 ARG A 77 -6.713 -9.039 -5.149 1.00 11.55 N ATOM 0 H ARG A 77 -7.957 -3.352 -1.638 1.00 35.41 H new ATOM 0 HA ARG A 77 -6.198 -3.507 0.594 1.00 11.51 H new ATOM 0 HB2 ARG A 77 -6.111 -5.924 0.039 1.00 21.21 H new ATOM 0 HB3 ARG A 77 -7.722 -5.277 0.277 1.00 21.21 H new ATOM 0 HG2 ARG A 77 -8.169 -6.491 -1.582 1.00 24.31 H new ATOM 0 HG3 ARG A 77 -7.605 -5.047 -2.398 1.00 24.31 H new ATOM 0 HD2 ARG A 77 -5.522 -5.991 -2.935 1.00 43.31 H new ATOM 0 HD3 ARG A 77 -5.600 -7.166 -1.637 1.00 43.31 H new ATOM 0 HE ARG A 77 -7.698 -7.982 -3.150 1.00 12.21 H new ATOM 0 HH11 ARG A 77 -4.416 -7.048 -4.100 1.00 11.51 H new ATOM 0 HH12 ARG A 77 -4.403 -8.132 -5.495 1.00 11.51 H new ATOM 0 HH21 ARG A 77 -7.661 -9.343 -4.928 1.00 11.55 H new ATOM 0 HH22 ARG A 77 -6.230 -9.424 -5.961 1.00 11.55 H new ATOM 1292 N ASN A 78 -4.822 -3.392 -2.330 1.00 64.41 N ATOM 1293 CA ASN A 78 -3.528 -3.177 -2.966 1.00 3.02 C ATOM 1294 C ASN A 78 -2.888 -1.900 -2.441 1.00 60.14 C ATOM 1295 O ASN A 78 -1.688 -1.855 -2.183 1.00 61.32 O ATOM 1296 CB ASN A 78 -3.650 -3.110 -4.492 1.00 24.41 C ATOM 1297 CG ASN A 78 -3.836 -4.476 -5.121 1.00 45.35 C ATOM 1298 OD1 ASN A 78 -3.427 -5.489 -4.552 1.00 35.31 O ATOM 1299 ND2 ASN A 78 -4.423 -4.513 -6.309 1.00 32.30 N ATOM 0 H ASN A 78 -5.628 -3.209 -2.928 1.00 64.41 H new ATOM 0 HA ASN A 78 -2.895 -4.029 -2.717 1.00 3.02 H new ATOM 0 HB2 ASN A 78 -4.494 -2.473 -4.758 1.00 24.41 H new ATOM 0 HB3 ASN A 78 -2.756 -2.643 -4.904 1.00 24.41 H new ATOM 0 HD21 ASN A 78 -4.551 -5.405 -6.787 1.00 32.30 H new ATOM 0 HD22 ASN A 78 -4.747 -3.650 -6.745 1.00 32.30 H new ATOM 1306 N LEU A 79 -3.703 -0.869 -2.269 1.00 51.11 N ATOM 1307 CA LEU A 79 -3.232 0.408 -1.744 1.00 25.53 C ATOM 1308 C LEU A 79 -2.825 0.277 -0.281 1.00 53.35 C ATOM 1309 O LEU A 79 -1.954 1.007 0.198 1.00 31.44 O ATOM 1310 CB LEU A 79 -4.314 1.483 -1.893 1.00 2.14 C ATOM 1311 CG LEU A 79 -4.610 1.919 -3.332 1.00 44.41 C ATOM 1312 CD1 LEU A 79 -5.754 2.921 -3.359 1.00 22.25 C ATOM 1313 CD2 LEU A 79 -3.366 2.513 -3.975 1.00 55.14 C ATOM 0 H LEU A 79 -4.699 -0.891 -2.486 1.00 51.11 H new ATOM 0 HA LEU A 79 -2.357 0.706 -2.321 1.00 25.53 H new ATOM 0 HB2 LEU A 79 -5.236 1.111 -1.446 1.00 2.14 H new ATOM 0 HB3 LEU A 79 -4.013 2.360 -1.320 1.00 2.14 H new ATOM 0 HG LEU A 79 -4.907 1.041 -3.905 1.00 44.41 H new ATOM 0 HD11 LEU A 79 -5.951 3.220 -4.388 1.00 22.25 H new ATOM 0 HD12 LEU A 79 -6.648 2.463 -2.936 1.00 22.25 H new ATOM 0 HD13 LEU A 79 -5.483 3.798 -2.772 1.00 22.25 H new ATOM 0 HD21 LEU A 79 -3.594 2.817 -4.996 1.00 55.14 H new ATOM 0 HD22 LEU A 79 -3.040 3.381 -3.402 1.00 55.14 H new ATOM 0 HD23 LEU A 79 -2.571 1.767 -3.988 1.00 55.14 H new ATOM 1325 N SER A 80 -3.462 -0.656 0.421 1.00 54.33 N ATOM 1326 CA SER A 80 -3.146 -0.932 1.819 1.00 42.23 C ATOM 1327 C SER A 80 -1.662 -1.241 2.036 1.00 55.54 C ATOM 1328 O SER A 80 -1.142 -1.026 3.128 1.00 41.14 O ATOM 1329 CB SER A 80 -4.002 -2.087 2.339 1.00 42.12 C ATOM 1330 OG SER A 80 -5.372 -1.728 2.363 1.00 41.42 O ATOM 0 H SER A 80 -4.207 -1.239 0.040 1.00 54.33 H new ATOM 0 HA SER A 80 -3.373 -0.026 2.380 1.00 42.23 H new ATOM 0 HB2 SER A 80 -3.862 -2.963 1.705 1.00 42.12 H new ATOM 0 HB3 SER A 80 -3.677 -2.364 3.342 1.00 42.12 H new ATOM 0 HG SER A 80 -5.663 -1.486 1.459 1.00 41.42 H new ATOM 1336 N THR A 81 -0.979 -1.719 1.003 1.00 55.53 N ATOM 1337 CA THR A 81 0.444 -2.014 1.116 1.00 13.34 C ATOM 1338 C THR A 81 1.228 -0.750 1.471 1.00 41.02 C ATOM 1339 O THR A 81 1.974 -0.719 2.452 1.00 45.11 O ATOM 1340 CB THR A 81 0.998 -2.622 -0.187 1.00 13.24 C ATOM 1341 OG1 THR A 81 0.776 -1.730 -1.287 1.00 23.21 O ATOM 1342 CG2 THR A 81 0.338 -3.958 -0.474 1.00 34.34 C ATOM 0 H THR A 81 -1.383 -1.909 0.086 1.00 55.53 H new ATOM 0 HA THR A 81 0.564 -2.747 1.914 1.00 13.34 H new ATOM 0 HB THR A 81 2.070 -2.776 -0.062 1.00 13.24 H new ATOM 0 HG1 THR A 81 -0.161 -1.786 -1.570 1.00 23.21 H new ATOM 0 HG21 THR A 81 0.742 -4.372 -1.398 1.00 34.34 H new ATOM 0 HG22 THR A 81 0.535 -4.645 0.349 1.00 34.34 H new ATOM 0 HG23 THR A 81 -0.738 -3.817 -0.579 1.00 34.34 H new ATOM 1350 N ILE A 82 1.031 0.294 0.676 1.00 53.34 N ATOM 1351 CA ILE A 82 1.640 1.591 0.935 1.00 54.23 C ATOM 1352 C ILE A 82 0.998 2.242 2.158 1.00 71.43 C ATOM 1353 O ILE A 82 1.663 2.940 2.920 1.00 22.10 O ATOM 1354 CB ILE A 82 1.530 2.516 -0.303 1.00 15.41 C ATOM 1355 CG1 ILE A 82 2.367 1.951 -1.454 1.00 51.13 C ATOM 1356 CG2 ILE A 82 1.967 3.938 0.026 1.00 51.15 C ATOM 1357 CD1 ILE A 82 2.042 2.564 -2.798 1.00 65.15 C ATOM 0 H ILE A 82 0.449 0.266 -0.161 1.00 53.34 H new ATOM 0 HA ILE A 82 2.699 1.437 1.140 1.00 54.23 H new ATOM 0 HB ILE A 82 0.484 2.554 -0.607 1.00 15.41 H new ATOM 0 HG12 ILE A 82 3.423 2.111 -1.237 1.00 51.13 H new ATOM 0 HG13 ILE A 82 2.213 0.873 -1.509 1.00 51.13 H new ATOM 0 HG21 ILE A 82 1.878 4.561 -0.864 1.00 51.15 H new ATOM 0 HG22 ILE A 82 1.332 4.340 0.816 1.00 51.15 H new ATOM 0 HG23 ILE A 82 3.004 3.931 0.362 1.00 51.15 H new ATOM 0 HD11 ILE A 82 2.674 2.115 -3.565 1.00 65.15 H new ATOM 0 HD12 ILE A 82 0.995 2.381 -3.038 1.00 65.15 H new ATOM 0 HD13 ILE A 82 2.223 3.638 -2.761 1.00 65.15 H new ATOM 1369 N LYS A 83 -0.293 1.984 2.356 1.00 34.10 N ATOM 1370 CA LYS A 83 -1.009 2.477 3.527 1.00 71.34 C ATOM 1371 C LYS A 83 -0.302 2.085 4.813 1.00 40.31 C ATOM 1372 O LYS A 83 -0.025 2.938 5.644 1.00 31.22 O ATOM 1373 CB LYS A 83 -2.436 1.933 3.548 1.00 2.04 C ATOM 1374 CG LYS A 83 -3.411 2.693 2.669 1.00 22.22 C ATOM 1375 CD LYS A 83 -3.741 4.052 3.259 1.00 72.24 C ATOM 1376 CE LYS A 83 -4.861 4.736 2.491 1.00 43.43 C ATOM 1377 NZ LYS A 83 -6.131 3.954 2.532 1.00 32.10 N ATOM 0 H LYS A 83 -0.866 1.433 1.716 1.00 34.10 H new ATOM 0 HA LYS A 83 -1.034 3.565 3.461 1.00 71.34 H new ATOM 0 HB2 LYS A 83 -2.419 0.890 3.232 1.00 2.04 H new ATOM 0 HB3 LYS A 83 -2.803 1.949 4.574 1.00 2.04 H new ATOM 0 HG2 LYS A 83 -2.984 2.820 1.674 1.00 22.22 H new ATOM 0 HG3 LYS A 83 -4.326 2.113 2.552 1.00 22.22 H new ATOM 0 HD2 LYS A 83 -4.033 3.936 4.303 1.00 72.24 H new ATOM 0 HD3 LYS A 83 -2.851 4.682 3.245 1.00 72.24 H new ATOM 0 HE2 LYS A 83 -5.033 5.728 2.909 1.00 43.43 H new ATOM 0 HE3 LYS A 83 -4.556 4.876 1.454 1.00 43.43 H new ATOM 0 HZ1 LYS A 83 -6.929 4.575 2.291 1.00 32.10 H new ATOM 0 HZ2 LYS A 83 -6.080 3.173 1.847 1.00 32.10 H new ATOM 0 HZ3 LYS A 83 -6.270 3.567 3.487 1.00 32.10 H new ATOM 1391 N ILE A 84 0.007 0.805 4.963 1.00 52.13 N ATOM 1392 CA ILE A 84 0.648 0.318 6.179 1.00 35.42 C ATOM 1393 C ILE A 84 2.027 0.952 6.363 1.00 41.24 C ATOM 1394 O ILE A 84 2.446 1.242 7.487 1.00 12.11 O ATOM 1395 CB ILE A 84 0.761 -1.223 6.172 1.00 32.12 C ATOM 1396 CG1 ILE A 84 -0.632 -1.847 6.060 1.00 74.14 C ATOM 1397 CG2 ILE A 84 1.455 -1.720 7.429 1.00 0.13 C ATOM 1398 CD1 ILE A 84 -0.626 -3.358 5.966 1.00 14.33 C ATOM 0 H ILE A 84 -0.174 0.087 4.262 1.00 52.13 H new ATOM 0 HA ILE A 84 0.020 0.610 7.021 1.00 35.42 H new ATOM 0 HB ILE A 84 1.359 -1.521 5.311 1.00 32.12 H new ATOM 0 HG12 ILE A 84 -1.222 -1.550 6.927 1.00 74.14 H new ATOM 0 HG13 ILE A 84 -1.131 -1.441 5.180 1.00 74.14 H new ATOM 0 HG21 ILE A 84 1.523 -2.808 7.401 1.00 0.13 H new ATOM 0 HG22 ILE A 84 2.457 -1.295 7.483 1.00 0.13 H new ATOM 0 HG23 ILE A 84 0.883 -1.414 8.305 1.00 0.13 H new ATOM 0 HD11 ILE A 84 -1.651 -3.722 5.890 1.00 14.33 H new ATOM 0 HD12 ILE A 84 -0.065 -3.665 5.083 1.00 14.33 H new ATOM 0 HD13 ILE A 84 -0.158 -3.776 6.857 1.00 14.33 H new ATOM 1410 N TYR A 85 2.708 1.195 5.252 1.00 33.10 N ATOM 1411 CA TYR A 85 4.031 1.805 5.280 1.00 64.53 C ATOM 1412 C TYR A 85 3.933 3.267 5.696 1.00 52.14 C ATOM 1413 O TYR A 85 4.587 3.702 6.647 1.00 14.32 O ATOM 1414 CB TYR A 85 4.697 1.693 3.906 1.00 32.33 C ATOM 1415 CG TYR A 85 6.013 2.440 3.797 1.00 44.14 C ATOM 1416 CD1 TYR A 85 7.176 1.929 4.358 1.00 52.02 C ATOM 1417 CD2 TYR A 85 6.088 3.661 3.133 1.00 3.31 C ATOM 1418 CE1 TYR A 85 8.375 2.612 4.262 1.00 3.21 C ATOM 1419 CE2 TYR A 85 7.283 4.349 3.033 1.00 4.24 C ATOM 1420 CZ TYR A 85 8.424 3.819 3.598 1.00 23.14 C ATOM 1421 OH TYR A 85 9.619 4.501 3.502 1.00 40.42 O ATOM 0 H TYR A 85 2.365 0.978 4.316 1.00 33.10 H new ATOM 0 HA TYR A 85 4.641 1.274 6.011 1.00 64.53 H new ATOM 0 HB2 TYR A 85 4.869 0.640 3.681 1.00 32.33 H new ATOM 0 HB3 TYR A 85 4.011 2.073 3.149 1.00 32.33 H new ATOM 0 HD1 TYR A 85 7.144 0.983 4.878 1.00 52.02 H new ATOM 0 HD2 TYR A 85 5.197 4.078 2.688 1.00 3.31 H new ATOM 0 HE1 TYR A 85 9.270 2.201 4.706 1.00 3.21 H new ATOM 0 HE2 TYR A 85 7.323 5.296 2.515 1.00 4.24 H new ATOM 0 HH TYR A 85 9.482 5.333 3.002 1.00 40.42 H new ATOM 1431 N VAL A 86 3.100 4.012 4.988 1.00 63.44 N ATOM 1432 CA VAL A 86 2.930 5.429 5.246 1.00 5.45 C ATOM 1433 C VAL A 86 2.343 5.653 6.631 1.00 14.21 C ATOM 1434 O VAL A 86 2.836 6.482 7.386 1.00 23.23 O ATOM 1435 CB VAL A 86 2.030 6.083 4.178 1.00 51.11 C ATOM 1436 CG1 VAL A 86 1.735 7.537 4.518 1.00 11.52 C ATOM 1437 CG2 VAL A 86 2.684 5.983 2.809 1.00 73.21 C ATOM 0 H VAL A 86 2.527 3.653 4.224 1.00 63.44 H new ATOM 0 HA VAL A 86 3.913 5.897 5.200 1.00 5.45 H new ATOM 0 HB VAL A 86 1.082 5.545 4.160 1.00 51.11 H new ATOM 0 HG11 VAL A 86 1.099 7.969 3.746 1.00 11.52 H new ATOM 0 HG12 VAL A 86 1.225 7.589 5.480 1.00 11.52 H new ATOM 0 HG13 VAL A 86 2.670 8.095 4.572 1.00 11.52 H new ATOM 0 HG21 VAL A 86 2.039 6.448 2.063 1.00 73.21 H new ATOM 0 HG22 VAL A 86 3.646 6.495 2.827 1.00 73.21 H new ATOM 0 HG23 VAL A 86 2.836 4.934 2.554 1.00 73.21 H new ATOM 1447 N SER A 87 1.316 4.882 6.969 1.00 0.23 N ATOM 1448 CA SER A 87 0.661 4.982 8.265 1.00 72.44 C ATOM 1449 C SER A 87 1.648 4.761 9.420 1.00 62.24 C ATOM 1450 O SER A 87 1.555 5.422 10.456 1.00 4.04 O ATOM 1451 CB SER A 87 -0.495 3.981 8.334 1.00 54.33 C ATOM 1452 OG SER A 87 -1.658 4.491 7.695 1.00 0.00 O ATOM 0 H SER A 87 0.916 4.173 6.354 1.00 0.23 H new ATOM 0 HA SER A 87 0.267 5.993 8.373 1.00 72.44 H new ATOM 0 HB2 SER A 87 -0.198 3.045 7.860 1.00 54.33 H new ATOM 0 HB3 SER A 87 -0.720 3.753 9.376 1.00 54.33 H new ATOM 0 HG SER A 87 -1.641 4.252 6.745 1.00 0.00 H new ATOM 1458 N ALA A 88 2.600 3.852 9.232 1.00 43.13 N ATOM 1459 CA ALA A 88 3.629 3.609 10.240 1.00 5.12 C ATOM 1460 C ALA A 88 4.606 4.782 10.304 1.00 12.25 C ATOM 1461 O ALA A 88 5.130 5.121 11.370 1.00 40.22 O ATOM 1462 CB ALA A 88 4.370 2.315 9.941 1.00 21.50 C ATOM 0 H ALA A 88 2.681 3.274 8.396 1.00 43.13 H new ATOM 0 HA ALA A 88 3.144 3.513 11.211 1.00 5.12 H new ATOM 0 HB1 ALA A 88 5.133 2.149 10.701 1.00 21.50 H new ATOM 0 HB2 ALA A 88 3.666 1.483 9.946 1.00 21.50 H new ATOM 0 HB3 ALA A 88 4.843 2.385 8.961 1.00 21.50 H new ATOM 1468 N ALA A 89 4.832 5.408 9.157 1.00 32.24 N ATOM 1469 CA ALA A 89 5.721 6.560 9.060 1.00 45.05 C ATOM 1470 C ALA A 89 5.058 7.811 9.613 1.00 1.22 C ATOM 1471 O ALA A 89 5.733 8.769 9.988 1.00 14.52 O ATOM 1472 CB ALA A 89 6.154 6.778 7.619 1.00 24.14 C ATOM 0 H ALA A 89 4.407 5.134 8.271 1.00 32.24 H new ATOM 0 HA ALA A 89 6.606 6.355 9.662 1.00 45.05 H new ATOM 0 HB1 ALA A 89 6.817 7.642 7.565 1.00 24.14 H new ATOM 0 HB2 ALA A 89 6.680 5.894 7.259 1.00 24.14 H new ATOM 0 HB3 ALA A 89 5.276 6.955 6.998 1.00 24.14 H new ATOM 1478 N ILE A 90 3.735 7.806 9.633 1.00 12.32 N ATOM 1479 CA ILE A 90 2.973 8.928 10.152 1.00 53.32 C ATOM 1480 C ILE A 90 3.027 8.962 11.676 1.00 20.20 C ATOM 1481 O ILE A 90 3.004 10.030 12.287 1.00 3.03 O ATOM 1482 CB ILE A 90 1.494 8.864 9.695 1.00 31.34 C ATOM 1483 CG1 ILE A 90 1.401 8.917 8.169 1.00 63.51 C ATOM 1484 CG2 ILE A 90 0.687 10.003 10.308 1.00 25.14 C ATOM 1485 CD1 ILE A 90 0.022 8.603 7.638 1.00 14.40 C ATOM 0 H ILE A 90 3.164 7.032 9.293 1.00 12.32 H new ATOM 0 HA ILE A 90 3.426 9.836 9.754 1.00 53.32 H new ATOM 0 HB ILE A 90 1.075 7.919 10.040 1.00 31.34 H new ATOM 0 HG12 ILE A 90 1.695 9.910 7.829 1.00 63.51 H new ATOM 0 HG13 ILE A 90 2.115 8.211 7.745 1.00 63.51 H new ATOM 0 HG21 ILE A 90 -0.348 9.937 9.973 1.00 25.14 H new ATOM 0 HG22 ILE A 90 0.722 9.930 11.395 1.00 25.14 H new ATOM 0 HG23 ILE A 90 1.110 10.958 9.995 1.00 25.14 H new ATOM 0 HD11 ILE A 90 0.030 8.659 6.549 1.00 14.40 H new ATOM 0 HD12 ILE A 90 -0.267 7.599 7.948 1.00 14.40 H new ATOM 0 HD13 ILE A 90 -0.693 9.324 8.033 1.00 14.40 H new ATOM 1497 N LYS A 91 3.119 7.790 12.288 1.00 14.41 N ATOM 1498 CA LYS A 91 3.079 7.700 13.740 1.00 20.13 C ATOM 1499 C LYS A 91 4.395 8.151 14.351 1.00 32.14 C ATOM 1500 O LYS A 91 4.405 8.918 15.315 1.00 44.12 O ATOM 1501 CB LYS A 91 2.734 6.277 14.182 1.00 23.35 C ATOM 1502 CG LYS A 91 1.263 5.943 14.006 1.00 1.44 C ATOM 1503 CD LYS A 91 0.397 6.879 14.830 1.00 13.33 C ATOM 1504 CE LYS A 91 -1.081 6.577 14.662 1.00 12.24 C ATOM 1505 NZ LYS A 91 -1.910 7.421 15.559 1.00 64.31 N ATOM 0 H LYS A 91 3.221 6.896 11.807 1.00 14.41 H new ATOM 0 HA LYS A 91 2.297 8.369 14.099 1.00 20.13 H new ATOM 0 HB2 LYS A 91 3.333 5.569 13.609 1.00 23.35 H new ATOM 0 HB3 LYS A 91 3.007 6.151 15.230 1.00 23.35 H new ATOM 0 HG2 LYS A 91 0.991 6.020 12.953 1.00 1.44 H new ATOM 0 HG3 LYS A 91 1.081 4.911 14.307 1.00 1.44 H new ATOM 0 HD2 LYS A 91 0.668 6.792 15.882 1.00 13.33 H new ATOM 0 HD3 LYS A 91 0.593 7.910 14.534 1.00 13.33 H new ATOM 0 HE2 LYS A 91 -1.374 6.747 13.626 1.00 12.24 H new ATOM 0 HE3 LYS A 91 -1.266 5.524 14.876 1.00 12.24 H new ATOM 0 HZ1 LYS A 91 -2.915 7.191 15.421 1.00 64.31 H new ATOM 0 HZ2 LYS A 91 -1.646 7.239 16.548 1.00 64.31 H new ATOM 0 HZ3 LYS A 91 -1.751 8.424 15.337 1.00 64.31 H new ATOM 1519 N LYS A 92 5.499 7.688 13.787 1.00 74.54 N ATOM 1520 CA LYS A 92 6.805 8.153 14.192 1.00 41.33 C ATOM 1521 C LYS A 92 7.843 7.782 13.143 1.00 42.43 C ATOM 1522 O LYS A 92 8.644 6.860 13.328 1.00 71.34 O ATOM 1523 CB LYS A 92 7.176 7.564 15.547 1.00 2.42 C ATOM 1524 CG LYS A 92 8.231 8.362 16.274 1.00 22.54 C ATOM 1525 CD LYS A 92 8.415 7.849 17.682 1.00 61.32 C ATOM 1526 CE LYS A 92 9.333 8.756 18.479 1.00 11.34 C ATOM 1527 NZ LYS A 92 9.399 8.368 19.910 1.00 25.54 N ATOM 0 H LYS A 92 5.511 6.988 13.045 1.00 74.54 H new ATOM 0 HA LYS A 92 6.781 9.239 14.284 1.00 41.33 H new ATOM 0 HB2 LYS A 92 6.282 7.506 16.168 1.00 2.42 H new ATOM 0 HB3 LYS A 92 7.534 6.544 15.407 1.00 2.42 H new ATOM 0 HG2 LYS A 92 9.176 8.302 15.734 1.00 22.54 H new ATOM 0 HG3 LYS A 92 7.945 9.413 16.300 1.00 22.54 H new ATOM 0 HD2 LYS A 92 7.446 7.781 18.177 1.00 61.32 H new ATOM 0 HD3 LYS A 92 8.829 6.841 17.654 1.00 61.32 H new ATOM 0 HE2 LYS A 92 10.334 8.725 18.049 1.00 11.34 H new ATOM 0 HE3 LYS A 92 8.983 9.785 18.399 1.00 11.34 H new ATOM 0 HZ1 LYS A 92 10.037 9.015 20.416 1.00 25.54 H new ATOM 0 HZ2 LYS A 92 8.448 8.422 20.329 1.00 25.54 H new ATOM 0 HZ3 LYS A 92 9.758 7.395 19.990 1.00 25.54 H new ATOM 1541 N GLY A 93 7.780 8.465 12.015 1.00 54.43 N ATOM 1542 CA GLY A 93 8.757 8.261 10.966 1.00 45.22 C ATOM 1543 C GLY A 93 9.171 9.569 10.328 1.00 42.24 C ATOM 1544 O GLY A 93 10.324 9.983 10.440 1.00 64.42 O ATOM 0 H GLY A 93 7.066 9.162 11.804 1.00 54.43 H new ATOM 0 HA2 GLY A 93 9.635 7.762 11.377 1.00 45.22 H new ATOM 0 HA3 GLY A 93 8.342 7.600 10.205 1.00 45.22 H new ATOM 1548 N TYR A 94 8.225 10.219 9.664 1.00 34.20 N ATOM 1549 CA TYR A 94 8.459 11.512 9.041 1.00 71.43 C ATOM 1550 C TYR A 94 7.136 12.153 8.650 1.00 64.22 C ATOM 1551 O TYR A 94 6.968 13.367 8.745 1.00 22.42 O ATOM 1552 CB TYR A 94 9.341 11.356 7.808 1.00 1.23 C ATOM 1553 CG TYR A 94 9.835 12.676 7.246 1.00 74.13 C ATOM 1554 CD1 TYR A 94 10.915 13.338 7.819 1.00 14.14 C ATOM 1555 CD2 TYR A 94 9.217 13.263 6.149 1.00 40.25 C ATOM 1556 CE1 TYR A 94 11.361 14.547 7.313 1.00 21.12 C ATOM 1557 CE2 TYR A 94 9.658 14.467 5.637 1.00 42.24 C ATOM 1558 CZ TYR A 94 10.729 15.105 6.222 1.00 0.05 C ATOM 1559 OH TYR A 94 11.166 16.308 5.714 1.00 34.23 O ATOM 0 H TYR A 94 7.276 9.865 9.543 1.00 34.20 H new ATOM 0 HA TYR A 94 8.968 12.154 9.759 1.00 71.43 H new ATOM 0 HB2 TYR A 94 10.200 10.734 8.062 1.00 1.23 H new ATOM 0 HB3 TYR A 94 8.782 10.828 7.036 1.00 1.23 H new ATOM 0 HD1 TYR A 94 11.414 12.902 8.672 1.00 14.14 H new ATOM 0 HD2 TYR A 94 8.375 12.768 5.688 1.00 40.25 H new ATOM 0 HE1 TYR A 94 12.200 15.051 7.771 1.00 21.12 H new ATOM 0 HE2 TYR A 94 9.166 14.906 4.782 1.00 42.24 H new ATOM 0 HH TYR A 94 10.612 16.559 4.945 1.00 34.23 H new ATOM 1569 N MET A 95 6.200 11.325 8.207 1.00 42.31 N ATOM 1570 CA MET A 95 4.884 11.800 7.825 1.00 15.40 C ATOM 1571 C MET A 95 4.115 12.271 9.050 1.00 64.13 C ATOM 1572 O MET A 95 4.319 11.770 10.158 1.00 55.31 O ATOM 1573 CB MET A 95 4.115 10.691 7.109 1.00 33.53 C ATOM 1574 CG MET A 95 4.675 10.329 5.743 1.00 40.44 C ATOM 1575 SD MET A 95 4.477 11.653 4.532 1.00 1.32 S ATOM 1576 CE MET A 95 2.694 11.656 4.313 1.00 20.43 C ATOM 0 H MET A 95 6.331 10.319 8.104 1.00 42.31 H new ATOM 0 HA MET A 95 4.999 12.644 7.144 1.00 15.40 H new ATOM 0 HB2 MET A 95 4.114 9.800 7.737 1.00 33.53 H new ATOM 0 HB3 MET A 95 3.076 11.000 6.994 1.00 33.53 H new ATOM 0 HG2 MET A 95 5.734 10.088 5.842 1.00 40.44 H new ATOM 0 HG3 MET A 95 4.177 9.431 5.378 1.00 40.44 H new ATOM 0 HE1 MET A 95 2.442 12.175 3.388 1.00 20.43 H new ATOM 0 HE2 MET A 95 2.332 10.629 4.263 1.00 20.43 H new ATOM 0 HE3 MET A 95 2.225 12.165 5.155 1.00 20.43 H new ATOM 1586 N GLU A 96 3.242 13.241 8.847 1.00 55.44 N ATOM 1587 CA GLU A 96 2.475 13.819 9.937 1.00 23.33 C ATOM 1588 C GLU A 96 0.994 13.831 9.580 1.00 75.44 C ATOM 1589 O GLU A 96 0.141 13.415 10.366 1.00 52.01 O ATOM 1590 CB GLU A 96 2.978 15.235 10.202 1.00 71.23 C ATOM 1591 CG GLU A 96 2.322 15.927 11.381 1.00 52.02 C ATOM 1592 CD GLU A 96 2.869 17.322 11.581 1.00 4.51 C ATOM 1593 OE1 GLU A 96 2.471 18.233 10.826 1.00 41.22 O ATOM 1594 OE2 GLU A 96 3.726 17.511 12.472 1.00 4.12 O ATOM 0 H GLU A 96 3.045 13.647 7.932 1.00 55.44 H new ATOM 0 HA GLU A 96 2.602 13.221 10.839 1.00 23.33 H new ATOM 0 HB2 GLU A 96 4.054 15.199 10.372 1.00 71.23 H new ATOM 0 HB3 GLU A 96 2.816 15.837 9.308 1.00 71.23 H new ATOM 0 HG2 GLU A 96 1.245 15.977 11.221 1.00 52.02 H new ATOM 0 HG3 GLU A 96 2.483 15.339 12.285 1.00 52.02 H new ATOM 1601 N ASN A 97 0.698 14.296 8.378 1.00 35.40 N ATOM 1602 CA ASN A 97 -0.669 14.331 7.892 1.00 60.35 C ATOM 1603 C ASN A 97 -0.919 13.125 7.010 1.00 53.22 C ATOM 1604 O ASN A 97 -0.229 12.925 6.011 1.00 53.21 O ATOM 1605 CB ASN A 97 -0.937 15.619 7.108 1.00 12.00 C ATOM 1606 CG ASN A 97 -0.696 16.874 7.927 1.00 31.33 C ATOM 1607 OD1 ASN A 97 -0.979 16.813 9.223 1.00 54.23 O flip ATOM 1608 ND2 ASN A 97 -0.257 17.894 7.397 1.00 51.33 N flip ATOM 0 H ASN A 97 1.389 14.655 7.720 1.00 35.40 H new ATOM 0 HA ASN A 97 -1.346 14.308 8.746 1.00 60.35 H new ATOM 0 HB2 ASN A 97 -0.298 15.640 6.225 1.00 12.00 H new ATOM 0 HB3 ASN A 97 -1.968 15.615 6.755 1.00 12.00 H new ATOM 0 HD21 ASN A 97 -0.052 17.902 6.398 1.00 51.33 H new ATOM 0 HD22 ASN A 97 -0.098 18.732 7.957 1.00 51.33 H new ATOM 1615 N ASP A 98 -1.888 12.312 7.390 1.00 61.52 N ATOM 1616 CA ASP A 98 -2.187 11.100 6.659 1.00 24.32 C ATOM 1617 C ASP A 98 -2.970 11.425 5.395 1.00 12.33 C ATOM 1618 O ASP A 98 -3.718 12.401 5.351 1.00 74.42 O ATOM 1619 CB ASP A 98 -2.999 10.145 7.524 1.00 35.31 C ATOM 1620 CG ASP A 98 -4.194 10.809 8.157 1.00 21.33 C ATOM 1621 OD1 ASP A 98 -4.032 11.477 9.202 1.00 51.41 O ATOM 1622 OD2 ASP A 98 -5.298 10.672 7.598 1.00 71.31 O ATOM 0 H ASP A 98 -2.482 12.472 8.204 1.00 61.52 H new ATOM 0 HA ASP A 98 -1.245 10.625 6.387 1.00 24.32 H new ATOM 0 HB2 ASP A 98 -3.335 9.306 6.915 1.00 35.31 H new ATOM 0 HB3 ASP A 98 -2.359 9.736 8.306 1.00 35.31 H new ATOM 1627 N PRO A 99 -2.807 10.606 4.352 1.00 65.44 N ATOM 1628 CA PRO A 99 -3.465 10.820 3.070 1.00 63.33 C ATOM 1629 C PRO A 99 -4.879 10.235 3.013 1.00 63.34 C ATOM 1630 O PRO A 99 -5.575 10.390 2.012 1.00 51.44 O ATOM 1631 CB PRO A 99 -2.543 10.085 2.103 1.00 4.23 C ATOM 1632 CG PRO A 99 -2.005 8.944 2.898 1.00 42.03 C ATOM 1633 CD PRO A 99 -1.938 9.414 4.328 1.00 60.42 C ATOM 0 HA PRO A 99 -3.604 11.879 2.851 1.00 63.33 H new ATOM 0 HB2 PRO A 99 -3.086 9.736 1.224 1.00 4.23 H new ATOM 0 HB3 PRO A 99 -1.743 10.733 1.747 1.00 4.23 H new ATOM 0 HG2 PRO A 99 -2.649 8.069 2.807 1.00 42.03 H new ATOM 0 HG3 PRO A 99 -1.018 8.652 2.539 1.00 42.03 H new ATOM 0 HD2 PRO A 99 -2.292 8.648 5.017 1.00 60.42 H new ATOM 0 HD3 PRO A 99 -0.917 9.658 4.621 1.00 60.42 H new ATOM 1641 N PHE A 100 -5.308 9.557 4.074 1.00 61.14 N ATOM 1642 CA PHE A 100 -6.597 8.875 4.042 1.00 75.22 C ATOM 1643 C PHE A 100 -7.717 9.727 4.633 1.00 3.03 C ATOM 1644 O PHE A 100 -8.878 9.563 4.257 1.00 64.13 O ATOM 1645 CB PHE A 100 -6.534 7.504 4.727 1.00 53.12 C ATOM 1646 CG PHE A 100 -6.179 7.514 6.188 1.00 44.44 C ATOM 1647 CD1 PHE A 100 -7.140 7.774 7.153 1.00 71.32 C ATOM 1648 CD2 PHE A 100 -4.887 7.226 6.596 1.00 51.32 C ATOM 1649 CE1 PHE A 100 -6.819 7.750 8.495 1.00 0.03 C ATOM 1650 CE2 PHE A 100 -4.560 7.204 7.937 1.00 60.12 C ATOM 1651 CZ PHE A 100 -5.527 7.466 8.889 1.00 42.24 C ATOM 0 H PHE A 100 -4.794 9.466 4.950 1.00 61.14 H new ATOM 0 HA PHE A 100 -6.832 8.713 2.990 1.00 75.22 H new ATOM 0 HB2 PHE A 100 -7.503 7.017 4.612 1.00 53.12 H new ATOM 0 HB3 PHE A 100 -5.804 6.890 4.200 1.00 53.12 H new ATOM 0 HD1 PHE A 100 -8.152 7.998 6.851 1.00 71.32 H new ATOM 0 HD2 PHE A 100 -4.128 7.016 5.857 1.00 51.32 H new ATOM 0 HE1 PHE A 100 -7.578 7.953 9.236 1.00 0.03 H new ATOM 0 HE2 PHE A 100 -3.548 6.982 8.242 1.00 60.12 H new ATOM 0 HZ PHE A 100 -5.272 7.449 9.938 1.00 42.24 H new ATOM 1661 N LYS A 101 -7.379 10.619 5.559 1.00 23.32 N ATOM 1662 CA LYS A 101 -8.344 11.543 6.117 1.00 21.20 C ATOM 1663 C LYS A 101 -9.062 12.311 5.016 1.00 20.53 C ATOM 1664 O LYS A 101 -10.284 12.373 4.984 1.00 13.10 O ATOM 1665 CB LYS A 101 -7.623 12.519 7.032 1.00 61.45 C ATOM 1666 CG LYS A 101 -7.770 12.199 8.504 1.00 34.21 C ATOM 1667 CD LYS A 101 -9.208 12.262 8.974 1.00 65.23 C ATOM 1668 CE LYS A 101 -9.285 11.894 10.440 1.00 15.10 C ATOM 1669 NZ LYS A 101 -10.593 12.251 11.047 1.00 1.52 N ATOM 0 H LYS A 101 -6.437 10.717 5.937 1.00 23.32 H new ATOM 0 HA LYS A 101 -9.087 10.978 6.680 1.00 21.20 H new ATOM 0 HB2 LYS A 101 -6.564 12.528 6.776 1.00 61.45 H new ATOM 0 HB3 LYS A 101 -8.004 13.524 6.848 1.00 61.45 H new ATOM 0 HG2 LYS A 101 -7.372 11.203 8.697 1.00 34.21 H new ATOM 0 HG3 LYS A 101 -7.171 12.899 9.086 1.00 34.21 H new ATOM 0 HD2 LYS A 101 -9.607 13.265 8.820 1.00 65.23 H new ATOM 0 HD3 LYS A 101 -9.823 11.581 8.386 1.00 65.23 H new ATOM 0 HE2 LYS A 101 -9.116 10.823 10.552 1.00 15.10 H new ATOM 0 HE3 LYS A 101 -8.486 12.401 10.981 1.00 15.10 H new ATOM 0 HZ1 LYS A 101 -10.596 11.979 12.051 1.00 1.52 H new ATOM 0 HZ2 LYS A 101 -10.745 13.277 10.966 1.00 1.52 H new ATOM 0 HZ3 LYS A 101 -11.355 11.748 10.550 1.00 1.52 H new ATOM 1683 N ASP A 102 -8.294 12.857 4.093 1.00 3.10 N ATOM 1684 CA ASP A 102 -8.845 13.714 3.054 1.00 12.41 C ATOM 1685 C ASP A 102 -9.274 12.910 1.837 1.00 64.42 C ATOM 1686 O ASP A 102 -9.828 13.459 0.886 1.00 64.43 O ATOM 1687 CB ASP A 102 -7.821 14.768 2.644 1.00 42.43 C ATOM 1688 CG ASP A 102 -7.776 15.938 3.602 1.00 42.25 C ATOM 1689 OD1 ASP A 102 -7.229 15.785 4.717 1.00 23.13 O ATOM 1690 OD2 ASP A 102 -8.287 17.020 3.246 1.00 4.43 O ATOM 0 H ASP A 102 -7.284 12.724 4.039 1.00 3.10 H new ATOM 0 HA ASP A 102 -9.728 14.205 3.463 1.00 12.41 H new ATOM 0 HB2 ASP A 102 -6.834 14.309 2.590 1.00 42.43 H new ATOM 0 HB3 ASP A 102 -8.059 15.131 1.644 1.00 42.43 H new ATOM 1695 N PHE A 103 -9.028 11.610 1.872 1.00 53.13 N ATOM 1696 CA PHE A 103 -9.370 10.744 0.752 1.00 13.14 C ATOM 1697 C PHE A 103 -10.883 10.593 0.631 1.00 34.24 C ATOM 1698 O PHE A 103 -11.428 10.589 -0.474 1.00 42.32 O ATOM 1699 CB PHE A 103 -8.709 9.373 0.916 1.00 33.30 C ATOM 1700 CG PHE A 103 -8.944 8.443 -0.243 1.00 75.33 C ATOM 1701 CD1 PHE A 103 -8.227 8.585 -1.419 1.00 60.44 C ATOM 1702 CD2 PHE A 103 -9.882 7.425 -0.152 1.00 33.22 C ATOM 1703 CE1 PHE A 103 -8.439 7.729 -2.484 1.00 54.31 C ATOM 1704 CE2 PHE A 103 -10.098 6.569 -1.214 1.00 53.12 C ATOM 1705 CZ PHE A 103 -9.376 6.721 -2.380 1.00 54.52 C ATOM 0 H PHE A 103 -8.594 11.131 2.661 1.00 53.13 H new ATOM 0 HA PHE A 103 -8.996 11.203 -0.163 1.00 13.14 H new ATOM 0 HB2 PHE A 103 -7.636 9.511 1.047 1.00 33.30 H new ATOM 0 HB3 PHE A 103 -9.084 8.906 1.827 1.00 33.30 H new ATOM 0 HD1 PHE A 103 -7.494 9.373 -1.505 1.00 60.44 H new ATOM 0 HD2 PHE A 103 -10.449 7.301 0.759 1.00 33.22 H new ATOM 0 HE1 PHE A 103 -7.872 7.849 -3.396 1.00 54.31 H new ATOM 0 HE2 PHE A 103 -10.832 5.781 -1.132 1.00 53.12 H new ATOM 0 HZ PHE A 103 -9.544 6.052 -3.211 1.00 54.52 H new