USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 863 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 97 CYS SG : rot 78:sc= -1.1 USER MOD Set 1.2: A 102 CYS SG : rot 125:sc= -3.05! USER MOD Set 1.3: A 103 GLN : amide:sc= -0.203 K(o=-5.2,f=-8.9) USER MOD Set 1.4: A 104 LYS NZ :NH3+ -138:sc= 1.52 (180deg=-0.012) USER MOD Set 1.5: A 115 HIS : no HE2:sc= -1.15 K(o=-5.2,f=-9.3) USER MOD Set 1.6: A 116 HIS : no HD1:sc= -0.466 K(o=-5.2,f=-10!) USER MOD Set 1.7: A 119 HIS : no HE2:sc= -0.719 K(o=-5.2,f=-10) USER MOD Set 2.1: A 68 GLN : amide:sc= 0.279 K(o=2.2,f=-1.5!) USER MOD Set 2.2: A 73 GLN : amide:sc= 1.75 K(o=2.2,f=-1.5) USER MOD Set 2.3: A 75 LYS NZ :NH3+ -128:sc= 0.21 (180deg=-0.304) USER MOD Set 3.1: A 69 CYS SG : rot 147:sc= 1.93 USER MOD Set 3.2: A 70 LYS NZ :NH3+ 148:sc= 0.82 (180deg=-0.0304) USER MOD Set 3.3: A 71 THR OG1 : rot 77:sc= 0.431 USER MOD Set 3.4: A 72 CYS SG : rot -53:sc= -0.339 USER MOD Set 3.5: A 85 HIS : no HE2:sc= -0.549 K(o=3.8,f=2.8) USER MOD Set 3.6: A 86 THR OG1 : rot 79:sc= 1.49 USER MOD Set 3.7: A 89 HIS : no HD1:sc= 0.0349 K(o=3.8,f=1.1) USER MOD Set 4.1: A 39 CYS SG : rot 170:sc= 1.12 USER MOD Set 4.2: A 57 HIS : no HE2:sc= -2.21! C(o=-1.1!,f=-0.44!) USER MOD Set 4.3: A 58 GLN : amide:sc= -0.135 K(o=-1.1,f=-0.41) USER MOD Set 4.4: A 61 HIS : no HE2:sc= 0.0829 K(o=-1.1,f=-0.42) USER MOD Set 5.1: A 49 SER OG : rot 180:sc= 0.785 USER MOD Set 5.2: A 53 GLN : amide:sc= 1.89 K(o=2.7,f=-3.4!) USER MOD Set 6.1: A 37 TYR OH : rot 130:sc= 0.87 USER MOD Set 6.2: A 51 SER OG : rot -57:sc= 1.69 USER MOD Set 7.1: A 9 CYS SG : rot 32:sc= -0.142! USER MOD Set 7.2: A 14 CYS SG : rot 174:sc= 0.453 USER MOD Set 7.3: A 16 LYS NZ :NH3+ -147:sc= 1.2 (180deg=-0.593) USER MOD Set 7.4: A 18 TYR OH : rot 143:sc= -0.0499 USER MOD Set 7.5: A 27 HIS : no HE2:sc= -2.8 K(o=-4.4,f=-7.1) USER MOD Set 7.6: A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 7.7: A 31 HIS : no HE2:sc= -3.03 K(o=-4.4,f=-7.9!) USER MOD Single : A 8 MET CE :methyl -171:sc=-0.00861 (180deg=-0.145) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 1.15 K(o=1.1,f=-0.091) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0.00186 USER MOD Single : A 23 HIS : no HE2:sc= -3.11! C(o=-3.1!,f=-9.3!) USER MOD Single : A 25 GLN : amide:sc= 0.273 X(o=0.27,f=-0.12) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -35:sc= 1.11 USER MOD Single : A 38 GLN : amide:sc= 1.16 K(o=1.2,f=-1.9) USER MOD Single : A 55 LYS NZ :NH3+ 170:sc=-0.00335 (180deg=-0.113) USER MOD Single : A 62 THR OG1 : rot -76:sc= -0.3 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -59:sc= 1.04 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= -0.435 K(o=-0.44,f=-1.8!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 99:sc= 1.22 USER MOD Single : A 88 THR OG1 : rot -94:sc= 1.17 USER MOD Single : A 90 THR OG1 : rot 75:sc= 1.2 USER MOD Single : A 93 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0771) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -43:sc= 1.06 USER MOD Single : A 105 LYS NZ :NH3+ 177:sc= 0.71 (180deg=0.701) USER MOD Single : A 109 SER OG : rot 180:sc= 0.00541 USER MOD Single : A 117 ASN : amide:sc= 1.23 K(o=1.2,f=-0.033) USER MOD Single : A 118 MET CE :methyl 175:sc= 0 (180deg=-0.0279) USER MOD ----------------------------------------------------------------- ATOM 97 N PHE A 7 9.454 21.116 -4.861 1.00 0.00 N ATOM 98 CA PHE A 7 8.876 20.137 -3.940 1.00 0.00 C ATOM 99 C PHE A 7 9.967 19.178 -3.460 1.00 0.00 C ATOM 100 O PHE A 7 10.967 19.008 -4.129 1.00 0.00 O ATOM 101 CB PHE A 7 7.760 19.340 -4.648 1.00 0.00 C ATOM 102 CG PHE A 7 6.586 20.143 -5.188 1.00 0.00 C ATOM 103 CD1 PHE A 7 5.466 20.401 -4.374 1.00 0.00 C ATOM 104 CD2 PHE A 7 6.585 20.595 -6.524 1.00 0.00 C ATOM 105 CE1 PHE A 7 4.382 21.146 -4.875 1.00 0.00 C ATOM 106 CE2 PHE A 7 5.490 21.325 -7.027 1.00 0.00 C ATOM 107 CZ PHE A 7 4.406 21.631 -6.192 1.00 0.00 C ATOM 0 HA PHE A 7 8.450 20.661 -3.084 1.00 0.00 H new ATOM 0 HB2 PHE A 7 8.207 18.791 -5.477 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.373 18.600 -3.947 1.00 0.00 H new ATOM 0 HD1 PHE A 7 5.439 20.026 -3.362 1.00 0.00 H new ATOM 0 HD2 PHE A 7 7.428 20.380 -7.165 1.00 0.00 H new ATOM 0 HE1 PHE A 7 3.529 21.345 -4.244 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.486 21.649 -8.057 1.00 0.00 H new ATOM 0 HZ PHE A 7 3.592 22.238 -6.561 1.00 0.00 H new ATOM 117 N MET A 8 9.802 18.608 -2.267 1.00 0.00 N ATOM 118 CA MET A 8 10.680 17.509 -1.824 1.00 0.00 C ATOM 119 C MET A 8 9.888 16.393 -1.160 1.00 0.00 C ATOM 120 O MET A 8 8.836 16.630 -0.563 1.00 0.00 O ATOM 121 CB MET A 8 11.769 18.025 -0.866 1.00 0.00 C ATOM 122 CG MET A 8 11.286 18.597 0.480 1.00 0.00 C ATOM 123 SD MET A 8 10.274 20.111 0.454 1.00 0.00 S ATOM 124 CE MET A 8 11.409 21.277 -0.346 1.00 0.00 C ATOM 0 H MET A 8 9.084 18.878 -1.595 1.00 0.00 H new ATOM 0 HA MET A 8 11.160 17.102 -2.714 1.00 0.00 H new ATOM 0 HB2 MET A 8 12.459 17.206 -0.661 1.00 0.00 H new ATOM 0 HB3 MET A 8 12.338 18.799 -1.381 1.00 0.00 H new ATOM 0 HG2 MET A 8 10.712 17.821 0.986 1.00 0.00 H new ATOM 0 HG3 MET A 8 12.165 18.794 1.094 1.00 0.00 H new ATOM 0 HE1 MET A 8 10.996 22.284 -0.289 1.00 0.00 H new ATOM 0 HE2 MET A 8 12.374 21.252 0.161 1.00 0.00 H new ATOM 0 HE3 MET A 8 11.541 20.997 -1.391 1.00 0.00 H new ATOM 134 N CYS A 9 10.451 15.184 -1.209 1.00 0.00 N ATOM 135 CA CYS A 9 9.937 14.047 -0.434 1.00 0.00 C ATOM 136 C CYS A 9 10.380 14.166 1.058 1.00 0.00 C ATOM 137 O CYS A 9 11.054 15.127 1.442 1.00 0.00 O ATOM 138 CB CYS A 9 10.460 12.728 -1.042 1.00 0.00 C ATOM 139 SG CYS A 9 9.828 11.235 -0.220 1.00 0.00 S ATOM 0 H CYS A 9 11.267 14.964 -1.780 1.00 0.00 H new ATOM 0 HA CYS A 9 8.848 14.052 -0.472 1.00 0.00 H new ATOM 0 HB2 CYS A 9 10.188 12.693 -2.097 1.00 0.00 H new ATOM 0 HB3 CYS A 9 11.549 12.724 -0.994 1.00 0.00 H new ATOM 0 HG CYS A 9 8.628 11.460 0.226 1.00 0.00 H new ATOM 144 N ALA A 10 10.005 13.173 1.871 1.00 0.00 N ATOM 145 CA ALA A 10 10.351 13.150 3.301 1.00 0.00 C ATOM 146 C ALA A 10 10.918 11.764 3.732 1.00 0.00 C ATOM 147 O ALA A 10 11.486 11.636 4.817 1.00 0.00 O ATOM 148 CB ALA A 10 9.105 13.487 4.132 1.00 0.00 C ATOM 0 H ALA A 10 9.458 12.369 1.563 1.00 0.00 H new ATOM 0 HA ALA A 10 11.128 13.894 3.476 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.359 13.470 5.192 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.744 14.479 3.861 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.326 12.751 3.934 1.00 0.00 H new ATOM 154 N TYR A 11 10.704 10.727 2.901 1.00 0.00 N ATOM 155 CA TYR A 11 11.126 9.358 3.248 1.00 0.00 C ATOM 156 C TYR A 11 12.676 9.272 3.359 1.00 0.00 C ATOM 157 O TYR A 11 13.390 9.750 2.482 1.00 0.00 O ATOM 158 CB TYR A 11 10.625 8.374 2.189 1.00 0.00 C ATOM 159 CG TYR A 11 10.810 6.910 2.559 1.00 0.00 C ATOM 160 CD1 TYR A 11 9.971 6.303 3.514 1.00 0.00 C ATOM 161 CD2 TYR A 11 11.821 6.150 1.941 1.00 0.00 C ATOM 162 CE1 TYR A 11 10.166 4.953 3.873 1.00 0.00 C ATOM 163 CE2 TYR A 11 12.034 4.813 2.305 1.00 0.00 C ATOM 164 CZ TYR A 11 11.224 4.219 3.290 1.00 0.00 C ATOM 165 OH TYR A 11 11.482 2.944 3.678 1.00 0.00 O ATOM 0 H TYR A 11 10.246 10.810 1.993 1.00 0.00 H new ATOM 0 HA TYR A 11 10.695 9.098 4.215 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.566 8.560 2.008 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.147 8.569 1.252 1.00 0.00 H new ATOM 0 HD1 TYR A 11 9.176 6.873 3.972 1.00 0.00 H new ATOM 0 HD2 TYR A 11 12.439 6.601 1.179 1.00 0.00 H new ATOM 0 HE1 TYR A 11 9.510 4.482 4.590 1.00 0.00 H new ATOM 0 HE2 TYR A 11 12.818 4.241 1.831 1.00 0.00 H new ATOM 0 HH TYR A 11 12.244 2.595 3.170 1.00 0.00 H new ATOM 175 N PRO A 12 13.200 8.639 4.444 1.00 0.00 N ATOM 176 CA PRO A 12 14.654 8.528 4.678 1.00 0.00 C ATOM 177 C PRO A 12 15.421 7.949 3.471 1.00 0.00 C ATOM 178 O PRO A 12 16.570 8.309 3.229 1.00 0.00 O ATOM 179 CB PRO A 12 14.756 7.584 5.885 1.00 0.00 C ATOM 180 CG PRO A 12 13.455 7.812 6.649 1.00 0.00 C ATOM 181 CD PRO A 12 12.434 8.063 5.542 1.00 0.00 C ATOM 0 HA PRO A 12 15.104 9.507 4.844 1.00 0.00 H new ATOM 0 HB2 PRO A 12 14.857 6.545 5.571 1.00 0.00 H new ATOM 0 HB3 PRO A 12 15.625 7.817 6.500 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.187 6.946 7.254 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.531 8.663 7.326 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.945 7.137 5.239 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.650 8.743 5.875 1.00 0.00 H new ATOM 189 N GLY A 13 14.774 7.034 2.731 1.00 0.00 N ATOM 190 CA GLY A 13 15.412 6.392 1.567 1.00 0.00 C ATOM 191 C GLY A 13 15.324 7.254 0.286 1.00 0.00 C ATOM 192 O GLY A 13 15.651 6.783 -0.803 1.00 0.00 O ATOM 0 H GLY A 13 13.820 6.724 2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 13 16.459 6.194 1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.938 5.428 1.384 1.00 0.00 H new ATOM 196 N CYS A 14 14.846 8.501 0.430 1.00 0.00 N ATOM 197 CA CYS A 14 14.670 9.408 -0.703 1.00 0.00 C ATOM 198 C CYS A 14 14.905 10.873 -0.272 1.00 0.00 C ATOM 199 O CYS A 14 16.024 11.383 -0.368 1.00 0.00 O ATOM 200 CB CYS A 14 13.254 9.246 -1.271 1.00 0.00 C ATOM 201 SG CYS A 14 12.834 10.513 -2.494 1.00 0.00 S ATOM 0 H CYS A 14 14.575 8.901 1.328 1.00 0.00 H new ATOM 0 HA CYS A 14 15.401 9.158 -1.472 1.00 0.00 H new ATOM 0 HB2 CYS A 14 13.163 8.261 -1.730 1.00 0.00 H new ATOM 0 HB3 CYS A 14 12.534 9.285 -0.454 1.00 0.00 H new ATOM 0 HG CYS A 14 11.680 10.237 -3.026 1.00 0.00 H new ATOM 206 N ASN A 15 13.827 11.545 0.183 1.00 0.00 N ATOM 207 CA ASN A 15 13.876 12.969 0.534 1.00 0.00 C ATOM 208 C ASN A 15 14.509 13.805 -0.620 1.00 0.00 C ATOM 209 O ASN A 15 15.245 14.770 -0.376 1.00 0.00 O ATOM 210 CB ASN A 15 14.676 13.157 1.847 1.00 0.00 C ATOM 211 CG ASN A 15 14.256 14.393 2.632 1.00 0.00 C ATOM 212 OD1 ASN A 15 13.777 14.315 3.752 1.00 0.00 O ATOM 213 ND2 ASN A 15 14.437 15.572 2.079 1.00 0.00 N ATOM 0 H ASN A 15 12.911 11.117 0.314 1.00 0.00 H new ATOM 0 HA ASN A 15 12.858 13.327 0.685 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.546 12.275 2.474 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.738 13.227 1.611 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.177 16.418 2.586 1.00 0.00 H new ATOM 0 HD22 ASN A 15 14.837 15.640 1.143 1.00 0.00 H new ATOM 220 N LYS A 16 14.167 13.449 -1.873 1.00 0.00 N ATOM 221 CA LYS A 16 14.672 14.174 -3.055 1.00 0.00 C ATOM 222 C LYS A 16 13.650 15.188 -3.546 1.00 0.00 C ATOM 223 O LYS A 16 12.537 15.256 -3.033 1.00 0.00 O ATOM 224 CB LYS A 16 15.013 13.173 -4.183 1.00 0.00 C ATOM 225 CG LYS A 16 13.852 12.708 -5.085 1.00 0.00 C ATOM 226 CD LYS A 16 14.260 11.621 -6.097 1.00 0.00 C ATOM 227 CE LYS A 16 14.127 10.176 -5.592 1.00 0.00 C ATOM 228 NZ LYS A 16 15.090 9.838 -4.526 1.00 0.00 N ATOM 0 H LYS A 16 13.547 12.669 -2.092 1.00 0.00 H new ATOM 0 HA LYS A 16 15.576 14.712 -2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 16 15.774 13.626 -4.818 1.00 0.00 H new ATOM 0 HB3 LYS A 16 15.462 12.290 -3.728 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.046 12.326 -4.459 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.456 13.567 -5.626 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.650 11.734 -6.993 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.295 11.792 -6.393 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.114 10.021 -5.220 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.267 9.492 -6.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.359 8.837 -4.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.938 10.433 -4.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.653 10.006 -3.597 1.00 0.00 H new ATOM 242 N ARG A 17 14.059 16.022 -4.511 1.00 0.00 N ATOM 243 CA ARG A 17 13.256 17.174 -4.918 1.00 0.00 C ATOM 244 C ARG A 17 12.499 16.910 -6.236 1.00 0.00 C ATOM 245 O ARG A 17 13.049 16.356 -7.187 1.00 0.00 O ATOM 246 CB ARG A 17 14.157 18.416 -5.073 1.00 0.00 C ATOM 247 CG ARG A 17 15.356 18.264 -6.029 1.00 0.00 C ATOM 248 CD ARG A 17 16.134 19.576 -6.179 1.00 0.00 C ATOM 249 NE ARG A 17 15.380 20.577 -6.954 1.00 0.00 N ATOM 250 CZ ARG A 17 15.806 21.788 -7.290 1.00 0.00 C ATOM 251 NH1 ARG A 17 16.970 22.257 -6.896 1.00 0.00 N ATOM 252 NH2 ARG A 17 15.058 22.563 -8.042 1.00 0.00 N ATOM 0 H ARG A 17 14.937 15.918 -5.020 1.00 0.00 H new ATOM 0 HA ARG A 17 12.515 17.351 -4.138 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.542 19.246 -5.422 1.00 0.00 H new ATOM 0 HB3 ARG A 17 14.535 18.692 -4.088 1.00 0.00 H new ATOM 0 HG2 ARG A 17 16.023 17.487 -5.655 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.002 17.937 -7.007 1.00 0.00 H new ATOM 0 HD2 ARG A 17 16.362 19.978 -5.192 1.00 0.00 H new ATOM 0 HD3 ARG A 17 17.087 19.379 -6.670 1.00 0.00 H new ATOM 0 HE ARG A 17 14.443 20.315 -7.261 1.00 0.00 H new ATOM 0 HH11 ARG A 17 17.579 21.684 -6.312 1.00 0.00 H new ATOM 0 HH12 ARG A 17 17.263 23.193 -7.175 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.149 22.234 -8.368 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.386 23.494 -8.300 1.00 0.00 H new ATOM 266 N TYR A 18 11.234 17.336 -6.262 1.00 0.00 N ATOM 267 CA TYR A 18 10.356 17.162 -7.408 1.00 0.00 C ATOM 268 C TYR A 18 9.892 18.532 -7.954 1.00 0.00 C ATOM 269 O TYR A 18 10.080 19.572 -7.307 1.00 0.00 O ATOM 270 CB TYR A 18 9.139 16.342 -6.986 1.00 0.00 C ATOM 271 CG TYR A 18 9.435 14.892 -6.684 1.00 0.00 C ATOM 272 CD1 TYR A 18 9.937 14.511 -5.427 1.00 0.00 C ATOM 273 CD2 TYR A 18 9.258 13.924 -7.685 1.00 0.00 C ATOM 274 CE1 TYR A 18 10.325 13.179 -5.205 1.00 0.00 C ATOM 275 CE2 TYR A 18 9.737 12.619 -7.495 1.00 0.00 C ATOM 276 CZ TYR A 18 10.340 12.265 -6.274 1.00 0.00 C ATOM 277 OH TYR A 18 10.951 11.061 -6.119 1.00 0.00 O ATOM 0 H TYR A 18 10.792 17.815 -5.478 1.00 0.00 H new ATOM 0 HA TYR A 18 10.902 16.643 -8.196 1.00 0.00 H new ATOM 0 HB2 TYR A 18 8.696 16.801 -6.102 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.392 16.390 -7.778 1.00 0.00 H new ATOM 0 HD1 TYR A 18 10.024 15.240 -4.635 1.00 0.00 H new ATOM 0 HD2 TYR A 18 8.752 14.184 -8.603 1.00 0.00 H new ATOM 0 HE1 TYR A 18 10.611 12.857 -4.215 1.00 0.00 H new ATOM 0 HE2 TYR A 18 9.643 11.888 -8.284 1.00 0.00 H new ATOM 0 HH TYR A 18 10.439 10.371 -6.591 1.00 0.00 H new ATOM 287 N PHE A 19 9.280 18.518 -9.147 1.00 0.00 N ATOM 288 CA PHE A 19 8.898 19.757 -9.839 1.00 0.00 C ATOM 289 C PHE A 19 7.390 19.788 -10.164 1.00 0.00 C ATOM 290 O PHE A 19 6.778 20.855 -10.178 1.00 0.00 O ATOM 291 CB PHE A 19 9.700 19.885 -11.133 1.00 0.00 C ATOM 292 CG PHE A 19 9.687 21.302 -11.678 1.00 0.00 C ATOM 293 CD1 PHE A 19 10.367 22.318 -10.979 1.00 0.00 C ATOM 294 CD2 PHE A 19 8.977 21.619 -12.851 1.00 0.00 C ATOM 295 CE1 PHE A 19 10.326 23.644 -11.443 1.00 0.00 C ATOM 296 CE2 PHE A 19 8.936 22.946 -13.316 1.00 0.00 C ATOM 297 CZ PHE A 19 9.609 23.958 -12.610 1.00 0.00 C ATOM 0 H PHE A 19 9.040 17.665 -9.651 1.00 0.00 H new ATOM 0 HA PHE A 19 9.116 20.593 -9.175 1.00 0.00 H new ATOM 0 HB2 PHE A 19 10.730 19.577 -10.952 1.00 0.00 H new ATOM 0 HB3 PHE A 19 9.290 19.206 -11.881 1.00 0.00 H new ATOM 0 HD1 PHE A 19 10.922 22.078 -10.084 1.00 0.00 H new ATOM 0 HD2 PHE A 19 8.462 20.841 -13.396 1.00 0.00 H new ATOM 0 HE1 PHE A 19 10.846 24.422 -10.903 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.388 23.187 -14.215 1.00 0.00 H new ATOM 0 HZ PHE A 19 9.575 24.978 -12.965 1.00 0.00 H new ATOM 307 N LYS A 20 6.797 18.608 -10.396 1.00 0.00 N ATOM 308 CA LYS A 20 5.351 18.500 -10.656 1.00 0.00 C ATOM 309 C LYS A 20 4.618 18.046 -9.397 1.00 0.00 C ATOM 310 O LYS A 20 4.852 16.955 -8.895 1.00 0.00 O ATOM 311 CB LYS A 20 5.089 17.504 -11.809 1.00 0.00 C ATOM 312 CG LYS A 20 4.914 18.208 -13.165 1.00 0.00 C ATOM 313 CD LYS A 20 6.189 18.922 -13.643 1.00 0.00 C ATOM 314 CE LYS A 20 6.031 19.506 -15.052 1.00 0.00 C ATOM 315 NZ LYS A 20 5.083 20.639 -15.077 1.00 0.00 N ATOM 0 H LYS A 20 7.293 17.717 -10.409 1.00 0.00 H new ATOM 0 HA LYS A 20 4.976 19.482 -10.945 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.919 16.800 -11.873 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.194 16.923 -11.587 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.614 17.474 -13.913 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.105 18.934 -13.089 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.439 19.722 -12.946 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.022 18.219 -13.634 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.003 19.838 -15.418 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.683 18.727 -15.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.005 21.005 -16.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.149 20.317 -14.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.427 21.393 -14.449 1.00 0.00 H new ATOM 329 N LEU A 21 3.714 18.892 -8.906 1.00 0.00 N ATOM 330 CA LEU A 21 2.961 18.613 -7.675 1.00 0.00 C ATOM 331 C LEU A 21 2.397 17.173 -7.681 1.00 0.00 C ATOM 332 O LEU A 21 2.599 16.417 -6.738 1.00 0.00 O ATOM 333 CB LEU A 21 1.811 19.632 -7.543 1.00 0.00 C ATOM 334 CG LEU A 21 0.876 19.471 -6.327 1.00 0.00 C ATOM 335 CD1 LEU A 21 0.425 20.852 -5.835 1.00 0.00 C ATOM 336 CD2 LEU A 21 -0.388 18.663 -6.646 1.00 0.00 C ATOM 0 H LEU A 21 3.481 19.784 -9.343 1.00 0.00 H new ATOM 0 HA LEU A 21 3.635 18.704 -6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.245 20.631 -7.508 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.205 19.579 -8.447 1.00 0.00 H new ATOM 0 HG LEU A 21 1.449 18.936 -5.570 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.235 20.734 -4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.297 21.438 -5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.108 21.367 -6.634 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.005 18.584 -5.751 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.952 19.165 -7.433 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.107 17.665 -6.981 1.00 0.00 H new ATOM 348 N SER A 22 1.681 16.822 -8.751 1.00 0.00 N ATOM 349 CA SER A 22 1.054 15.496 -8.885 1.00 0.00 C ATOM 350 C SER A 22 2.090 14.376 -9.045 1.00 0.00 C ATOM 351 O SER A 22 1.891 13.272 -8.547 1.00 0.00 O ATOM 352 CB SER A 22 0.114 15.489 -10.086 1.00 0.00 C ATOM 353 OG SER A 22 0.776 15.975 -11.242 1.00 0.00 O ATOM 0 H SER A 22 1.517 17.440 -9.546 1.00 0.00 H new ATOM 0 HA SER A 22 0.498 15.306 -7.967 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.247 14.476 -10.266 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.759 16.106 -9.874 1.00 0.00 H new ATOM 0 HG SER A 22 0.158 15.962 -12.003 1.00 0.00 H new ATOM 359 N HIS A 23 3.193 14.663 -9.748 1.00 0.00 N ATOM 360 CA HIS A 23 4.241 13.651 -9.951 1.00 0.00 C ATOM 361 C HIS A 23 4.927 13.337 -8.613 1.00 0.00 C ATOM 362 O HIS A 23 5.180 12.177 -8.294 1.00 0.00 O ATOM 363 CB HIS A 23 5.268 14.132 -11.025 1.00 0.00 C ATOM 364 CG HIS A 23 6.695 14.647 -10.853 1.00 0.00 C ATOM 365 ND1 HIS A 23 7.643 14.521 -11.850 1.00 0.00 N ATOM 366 CD2 HIS A 23 7.221 15.537 -9.953 1.00 0.00 C ATOM 367 CE1 HIS A 23 8.686 15.317 -11.564 1.00 0.00 C ATOM 368 NE2 HIS A 23 8.463 15.978 -10.420 1.00 0.00 N ATOM 0 H HIS A 23 3.383 15.568 -10.179 1.00 0.00 H new ATOM 0 HA HIS A 23 3.787 12.733 -10.324 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.360 13.291 -11.713 1.00 0.00 H new ATOM 0 HB3 HIS A 23 4.752 14.928 -11.562 1.00 0.00 H new ATOM 0 HD1 HIS A 23 7.564 13.920 -12.671 1.00 0.00 H new ATOM 0 HD2 HIS A 23 6.752 15.848 -9.031 1.00 0.00 H new ATOM 0 HE1 HIS A 23 9.576 15.411 -12.169 1.00 0.00 H new ATOM 376 N LEU A 24 5.079 14.369 -7.783 1.00 0.00 N ATOM 377 CA LEU A 24 5.550 14.197 -6.416 1.00 0.00 C ATOM 378 C LEU A 24 4.472 13.503 -5.537 1.00 0.00 C ATOM 379 O LEU A 24 4.778 12.588 -4.777 1.00 0.00 O ATOM 380 CB LEU A 24 5.926 15.549 -5.813 1.00 0.00 C ATOM 381 CG LEU A 24 6.516 15.539 -4.374 1.00 0.00 C ATOM 382 CD1 LEU A 24 5.473 15.978 -3.339 1.00 0.00 C ATOM 383 CD2 LEU A 24 7.160 14.228 -3.884 1.00 0.00 C ATOM 0 H LEU A 24 4.881 15.336 -8.039 1.00 0.00 H new ATOM 0 HA LEU A 24 6.433 13.559 -6.441 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.651 16.025 -6.473 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.036 16.178 -5.810 1.00 0.00 H new ATOM 0 HG LEU A 24 7.336 16.252 -4.461 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.918 15.960 -2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.137 16.989 -3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.622 15.297 -3.369 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.529 14.362 -2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.417 13.430 -3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.990 13.963 -4.539 1.00 0.00 H new ATOM 395 N GLN A 25 3.218 13.932 -5.667 1.00 0.00 N ATOM 396 CA GLN A 25 2.121 13.341 -4.896 1.00 0.00 C ATOM 397 C GLN A 25 2.014 11.827 -5.169 1.00 0.00 C ATOM 398 O GLN A 25 1.838 11.033 -4.240 1.00 0.00 O ATOM 399 CB GLN A 25 0.794 14.037 -5.256 1.00 0.00 C ATOM 400 CG GLN A 25 -0.406 13.523 -4.444 1.00 0.00 C ATOM 401 CD GLN A 25 -0.207 13.641 -2.934 1.00 0.00 C ATOM 402 OE1 GLN A 25 -0.519 14.649 -2.322 1.00 0.00 O ATOM 403 NE2 GLN A 25 0.351 12.632 -2.290 1.00 0.00 N ATOM 0 H GLN A 25 2.935 14.684 -6.296 1.00 0.00 H new ATOM 0 HA GLN A 25 2.327 13.485 -3.835 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.900 15.110 -5.094 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.593 13.893 -6.318 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.297 14.082 -4.731 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.589 12.479 -4.699 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.614 11.787 -2.797 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.519 12.698 -1.286 1.00 0.00 H new ATOM 412 N MET A 26 2.169 11.437 -6.445 1.00 0.00 N ATOM 413 CA MET A 26 2.222 10.021 -6.823 1.00 0.00 C ATOM 414 C MET A 26 3.510 9.362 -6.289 1.00 0.00 C ATOM 415 O MET A 26 3.469 8.258 -5.753 1.00 0.00 O ATOM 416 CB MET A 26 2.158 9.875 -8.359 1.00 0.00 C ATOM 417 CG MET A 26 1.207 8.738 -8.764 1.00 0.00 C ATOM 418 SD MET A 26 1.635 7.078 -8.168 1.00 0.00 S ATOM 419 CE MET A 26 0.072 6.217 -8.492 1.00 0.00 C ATOM 0 H MET A 26 2.259 12.084 -7.229 1.00 0.00 H new ATOM 0 HA MET A 26 1.363 9.518 -6.380 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.821 10.812 -8.803 1.00 0.00 H new ATOM 0 HB3 MET A 26 3.156 9.677 -8.751 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.208 8.983 -8.404 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.155 8.707 -9.852 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.159 5.176 -8.182 1.00 0.00 H new ATOM 0 HE2 MET A 26 -0.730 6.696 -7.931 1.00 0.00 H new ATOM 0 HE3 MET A 26 -0.154 6.261 -9.557 1.00 0.00 H new ATOM 429 N HIS A 27 4.638 10.098 -6.348 1.00 0.00 N ATOM 430 CA HIS A 27 5.925 9.576 -5.871 1.00 0.00 C ATOM 431 C HIS A 27 5.826 9.171 -4.393 1.00 0.00 C ATOM 432 O HIS A 27 6.289 8.100 -4.006 1.00 0.00 O ATOM 433 CB HIS A 27 7.038 10.646 -6.041 1.00 0.00 C ATOM 434 CG HIS A 27 8.215 10.251 -5.214 1.00 0.00 C ATOM 435 ND1 HIS A 27 8.934 9.077 -5.327 1.00 0.00 N ATOM 436 CD2 HIS A 27 8.572 10.865 -4.050 1.00 0.00 C ATOM 437 CE1 HIS A 27 9.738 9.003 -4.253 1.00 0.00 C ATOM 438 NE2 HIS A 27 9.569 10.090 -3.496 1.00 0.00 N ATOM 0 H HIS A 27 4.680 11.047 -6.719 1.00 0.00 H new ATOM 0 HA HIS A 27 6.177 8.698 -6.465 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.324 10.729 -7.089 1.00 0.00 H new ATOM 0 HB3 HIS A 27 6.671 11.625 -5.732 1.00 0.00 H new ATOM 0 HD1 HIS A 27 8.867 8.395 -6.083 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.157 11.776 -3.644 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.416 8.191 -4.036 1.00 0.00 H new ATOM 446 N SER A 28 5.107 9.971 -3.605 1.00 0.00 N ATOM 447 CA SER A 28 4.939 9.705 -2.181 1.00 0.00 C ATOM 448 C SER A 28 4.285 8.335 -1.952 1.00 0.00 C ATOM 449 O SER A 28 4.657 7.605 -1.025 1.00 0.00 O ATOM 450 CB SER A 28 4.074 10.794 -1.556 1.00 0.00 C ATOM 451 OG SER A 28 4.316 10.826 -0.165 1.00 0.00 O ATOM 0 H SER A 28 4.631 10.811 -3.933 1.00 0.00 H new ATOM 0 HA SER A 28 5.923 9.700 -1.713 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.305 11.762 -2.002 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.020 10.597 -1.751 1.00 0.00 H new ATOM 0 HG SER A 28 3.766 11.524 0.247 1.00 0.00 H new ATOM 457 N ARG A 29 3.366 7.954 -2.859 1.00 0.00 N ATOM 458 CA ARG A 29 2.679 6.662 -2.777 1.00 0.00 C ATOM 459 C ARG A 29 3.692 5.509 -2.735 1.00 0.00 C ATOM 460 O ARG A 29 3.521 4.558 -1.969 1.00 0.00 O ATOM 461 CB ARG A 29 1.745 6.493 -3.991 1.00 0.00 C ATOM 462 CG ARG A 29 0.565 5.528 -3.823 1.00 0.00 C ATOM 463 CD ARG A 29 0.926 4.054 -3.626 1.00 0.00 C ATOM 464 NE ARG A 29 1.753 3.490 -4.712 1.00 0.00 N ATOM 465 CZ ARG A 29 2.726 2.589 -4.610 1.00 0.00 C ATOM 466 NH1 ARG A 29 3.198 2.162 -3.461 1.00 0.00 N ATOM 467 NH2 ARG A 29 3.257 2.087 -5.699 1.00 0.00 N ATOM 0 H ARG A 29 3.086 8.526 -3.655 1.00 0.00 H new ATOM 0 HA ARG A 29 2.092 6.638 -1.859 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.348 7.473 -4.254 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.344 6.154 -4.836 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.026 5.854 -2.967 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.074 5.611 -4.702 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.459 3.944 -2.682 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.007 3.473 -3.543 1.00 0.00 H new ATOM 0 HE ARG A 29 1.554 3.832 -5.652 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.816 2.524 -2.587 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.946 1.469 -3.443 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.923 2.388 -6.615 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.004 1.396 -5.630 1.00 0.00 H new ATOM 481 N LYS A 30 4.783 5.633 -3.514 1.00 0.00 N ATOM 482 CA LYS A 30 5.825 4.588 -3.578 1.00 0.00 C ATOM 483 C LYS A 30 6.393 4.281 -2.182 1.00 0.00 C ATOM 484 O LYS A 30 6.738 3.140 -1.889 1.00 0.00 O ATOM 485 CB LYS A 30 6.964 5.044 -4.516 1.00 0.00 C ATOM 486 CG LYS A 30 8.149 4.072 -4.676 1.00 0.00 C ATOM 487 CD LYS A 30 9.330 4.434 -3.755 1.00 0.00 C ATOM 488 CE LYS A 30 10.547 3.554 -4.048 1.00 0.00 C ATOM 489 NZ LYS A 30 11.696 3.937 -3.202 1.00 0.00 N ATOM 0 H LYS A 30 4.967 6.443 -4.106 1.00 0.00 H new ATOM 0 HA LYS A 30 5.370 3.677 -3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.540 5.231 -5.503 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.349 5.995 -4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.817 3.058 -4.455 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.484 4.079 -5.713 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.594 5.483 -3.892 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.033 4.314 -2.713 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.294 2.508 -3.872 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.820 3.644 -5.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.508 3.325 -3.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.950 4.928 -3.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.441 3.828 -2.200 1.00 0.00 H new ATOM 503 N HIS A 31 6.478 5.307 -1.321 1.00 0.00 N ATOM 504 CA HIS A 31 7.081 5.151 0.005 1.00 0.00 C ATOM 505 C HIS A 31 6.067 4.602 1.023 1.00 0.00 C ATOM 506 O HIS A 31 6.452 3.958 1.993 1.00 0.00 O ATOM 507 CB HIS A 31 7.636 6.488 0.486 1.00 0.00 C ATOM 508 CG HIS A 31 8.895 6.828 -0.270 1.00 0.00 C ATOM 509 ND1 HIS A 31 9.955 5.973 -0.499 1.00 0.00 N ATOM 510 CD2 HIS A 31 9.236 8.047 -0.788 1.00 0.00 C ATOM 511 CE1 HIS A 31 10.931 6.677 -1.085 1.00 0.00 C ATOM 512 NE2 HIS A 31 10.541 7.936 -1.275 1.00 0.00 N ATOM 0 H HIS A 31 6.138 6.248 -1.521 1.00 0.00 H new ATOM 0 HA HIS A 31 7.895 4.430 -0.078 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.893 7.272 0.342 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.846 6.440 1.555 1.00 0.00 H new ATOM 0 HD1 HIS A 31 9.988 4.981 -0.263 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.614 8.929 -0.815 1.00 0.00 H new ATOM 0 HE1 HIS A 31 11.896 6.281 -1.364 1.00 0.00 H new ATOM 520 N THR A 32 4.767 4.893 0.820 1.00 0.00 N ATOM 521 CA THR A 32 3.707 4.351 1.718 1.00 0.00 C ATOM 522 C THR A 32 3.800 2.806 1.843 1.00 0.00 C ATOM 523 O THR A 32 3.375 2.234 2.844 1.00 0.00 O ATOM 524 CB THR A 32 2.300 4.714 1.200 1.00 0.00 C ATOM 525 OG1 THR A 32 2.000 4.080 -0.022 1.00 0.00 O ATOM 526 CG2 THR A 32 2.072 6.218 1.037 1.00 0.00 C ATOM 0 H THR A 32 4.423 5.485 0.064 1.00 0.00 H new ATOM 0 HA THR A 32 3.868 4.803 2.697 1.00 0.00 H new ATOM 0 HB THR A 32 1.629 4.351 1.978 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.812 4.018 -0.567 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.061 6.395 0.669 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.200 6.712 2.000 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.793 6.620 0.325 1.00 0.00 H new ATOM 592 N TYR A 37 7.852 -1.659 9.722 1.00 0.00 N ATOM 593 CA TYR A 37 7.165 -2.112 10.944 1.00 0.00 C ATOM 594 C TYR A 37 7.678 -3.496 11.375 1.00 0.00 C ATOM 595 O TYR A 37 8.251 -4.231 10.575 1.00 0.00 O ATOM 596 CB TYR A 37 5.646 -2.184 10.696 1.00 0.00 C ATOM 597 CG TYR A 37 4.922 -0.857 10.629 1.00 0.00 C ATOM 598 CD1 TYR A 37 4.527 -0.210 11.817 1.00 0.00 C ATOM 599 CD2 TYR A 37 4.575 -0.310 9.380 1.00 0.00 C ATOM 600 CE1 TYR A 37 3.726 0.945 11.761 1.00 0.00 C ATOM 601 CE2 TYR A 37 3.793 0.856 9.318 1.00 0.00 C ATOM 602 CZ TYR A 37 3.339 1.461 10.507 1.00 0.00 C ATOM 603 OH TYR A 37 2.477 2.509 10.429 1.00 0.00 O ATOM 0 HA TYR A 37 7.373 -1.396 11.739 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.475 -2.716 9.760 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.196 -2.781 11.489 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.840 -0.602 12.773 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.909 -0.786 8.470 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.410 1.433 12.671 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.540 1.288 8.361 1.00 0.00 H new ATOM 0 HH TYR A 37 2.848 3.194 9.835 1.00 0.00 H new ATOM 613 N GLN A 38 7.415 -3.861 12.634 1.00 0.00 N ATOM 614 CA GLN A 38 7.648 -5.228 13.114 1.00 0.00 C ATOM 615 C GLN A 38 6.433 -5.732 13.883 1.00 0.00 C ATOM 616 O GLN A 38 5.643 -4.940 14.398 1.00 0.00 O ATOM 617 CB GLN A 38 8.897 -5.276 14.012 1.00 0.00 C ATOM 618 CG GLN A 38 8.792 -4.657 15.425 1.00 0.00 C ATOM 619 CD GLN A 38 9.547 -5.499 16.457 1.00 0.00 C ATOM 620 OE1 GLN A 38 10.731 -5.302 16.695 1.00 0.00 O ATOM 621 NE2 GLN A 38 8.892 -6.461 17.083 1.00 0.00 N ATOM 0 H GLN A 38 7.040 -3.228 13.340 1.00 0.00 H new ATOM 0 HA GLN A 38 7.812 -5.874 12.251 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.189 -6.320 14.124 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.708 -4.773 13.485 1.00 0.00 H new ATOM 0 HG2 GLN A 38 9.196 -3.645 15.412 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.744 -4.578 15.713 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.905 -6.621 16.881 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.373 -7.043 17.768 1.00 0.00 H new ATOM 630 N CYS A 39 6.291 -7.056 13.958 1.00 0.00 N ATOM 631 CA CYS A 39 5.197 -7.669 14.704 1.00 0.00 C ATOM 632 C CYS A 39 5.171 -7.141 16.150 1.00 0.00 C ATOM 633 O CYS A 39 6.211 -7.064 16.815 1.00 0.00 O ATOM 634 CB CYS A 39 5.343 -9.187 14.711 1.00 0.00 C ATOM 635 SG CYS A 39 3.840 -9.788 15.528 1.00 0.00 S ATOM 0 H CYS A 39 6.921 -7.722 13.511 1.00 0.00 H new ATOM 0 HA CYS A 39 4.259 -7.406 14.214 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.429 -9.582 13.699 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.238 -9.497 15.250 1.00 0.00 H new ATOM 0 HG CYS A 39 3.763 -11.079 15.400 1.00 0.00 H new ATOM 731 N ARG A 46 8.579 -10.656 13.520 1.00 0.00 N ATOM 732 CA ARG A 46 8.508 -10.518 12.049 1.00 0.00 C ATOM 733 C ARG A 46 8.567 -9.044 11.654 1.00 0.00 C ATOM 734 O ARG A 46 8.452 -8.165 12.505 1.00 0.00 O ATOM 735 CB ARG A 46 7.198 -11.144 11.516 1.00 0.00 C ATOM 736 CG ARG A 46 7.409 -12.266 10.484 1.00 0.00 C ATOM 737 CD ARG A 46 8.202 -13.470 11.007 1.00 0.00 C ATOM 738 NE ARG A 46 7.606 -14.019 12.230 1.00 0.00 N ATOM 739 CZ ARG A 46 7.758 -15.226 12.749 1.00 0.00 C ATOM 740 NH1 ARG A 46 8.492 -16.155 12.175 1.00 0.00 N ATOM 741 NH2 ARG A 46 7.148 -15.515 13.870 1.00 0.00 N ATOM 0 HA ARG A 46 9.359 -11.041 11.611 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.630 -11.542 12.357 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.591 -10.359 11.064 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.435 -12.611 10.137 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.928 -11.854 9.619 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.238 -14.244 10.240 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.231 -13.170 11.206 1.00 0.00 H new ATOM 0 HE ARG A 46 6.995 -13.387 12.748 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.970 -15.957 11.296 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.583 -17.074 12.609 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.566 -14.814 14.329 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.254 -16.441 14.284 1.00 0.00 H new ATOM 755 N ARG A 47 8.705 -8.778 10.348 1.00 0.00 N ATOM 756 CA ARG A 47 8.771 -7.400 9.838 1.00 0.00 C ATOM 757 C ARG A 47 7.806 -7.206 8.663 1.00 0.00 C ATOM 758 O ARG A 47 7.523 -8.142 7.918 1.00 0.00 O ATOM 759 CB ARG A 47 10.209 -7.068 9.388 1.00 0.00 C ATOM 760 CG ARG A 47 11.345 -7.466 10.347 1.00 0.00 C ATOM 761 CD ARG A 47 11.317 -6.682 11.661 1.00 0.00 C ATOM 762 NE ARG A 47 11.655 -7.546 12.802 1.00 0.00 N ATOM 763 CZ ARG A 47 11.933 -7.155 14.038 1.00 0.00 C ATOM 764 NH1 ARG A 47 12.141 -5.901 14.362 1.00 0.00 N ATOM 765 NH2 ARG A 47 11.976 -8.060 14.978 1.00 0.00 N ATOM 0 H ARG A 47 8.773 -9.496 9.627 1.00 0.00 H new ATOM 0 HA ARG A 47 8.479 -6.726 10.644 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.386 -7.556 8.430 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.271 -5.994 9.215 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.274 -8.532 10.564 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.303 -7.305 9.854 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.022 -5.853 11.608 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.327 -6.250 11.809 1.00 0.00 H new ATOM 0 HE ARG A 47 11.678 -8.550 12.624 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.092 -5.175 13.647 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.352 -5.652 15.328 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.798 -9.039 14.752 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.187 -7.788 15.938 1.00 0.00 H new ATOM 779 N PHE A 48 7.328 -5.969 8.502 1.00 0.00 N ATOM 780 CA PHE A 48 6.384 -5.612 7.439 1.00 0.00 C ATOM 781 C PHE A 48 6.735 -4.236 6.860 1.00 0.00 C ATOM 782 O PHE A 48 7.515 -3.489 7.451 1.00 0.00 O ATOM 783 CB PHE A 48 4.952 -5.591 8.002 1.00 0.00 C ATOM 784 CG PHE A 48 4.565 -6.926 8.605 1.00 0.00 C ATOM 785 CD1 PHE A 48 4.209 -7.981 7.749 1.00 0.00 C ATOM 786 CD2 PHE A 48 4.726 -7.161 9.986 1.00 0.00 C ATOM 787 CE1 PHE A 48 4.081 -9.282 8.258 1.00 0.00 C ATOM 788 CE2 PHE A 48 4.588 -8.463 10.498 1.00 0.00 C ATOM 789 CZ PHE A 48 4.320 -9.527 9.620 1.00 0.00 C ATOM 0 H PHE A 48 7.584 -5.187 9.105 1.00 0.00 H new ATOM 0 HA PHE A 48 6.448 -6.355 6.644 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.871 -4.812 8.760 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.252 -5.335 7.206 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.034 -7.791 6.700 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.955 -6.341 10.650 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.799 -10.094 7.604 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.687 -8.644 11.558 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.298 -10.540 9.995 1.00 0.00 H new ATOM 799 N SER A 49 6.172 -3.915 5.686 1.00 0.00 N ATOM 800 CA SER A 49 6.512 -2.667 4.979 1.00 0.00 C ATOM 801 C SER A 49 5.307 -1.694 4.928 1.00 0.00 C ATOM 802 O SER A 49 5.380 -0.643 4.288 1.00 0.00 O ATOM 803 CB SER A 49 6.986 -2.989 3.551 1.00 0.00 C ATOM 804 OG SER A 49 5.941 -3.046 2.598 1.00 0.00 O ATOM 0 H SER A 49 5.484 -4.496 5.207 1.00 0.00 H new ATOM 0 HA SER A 49 7.314 -2.177 5.530 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.708 -2.234 3.239 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.509 -3.945 3.559 1.00 0.00 H new ATOM 0 HG SER A 49 6.314 -3.253 1.716 1.00 0.00 H new ATOM 810 N ARG A 50 4.214 -2.037 5.633 1.00 0.00 N ATOM 811 CA ARG A 50 3.040 -1.155 5.722 1.00 0.00 C ATOM 812 C ARG A 50 2.220 -1.454 6.984 1.00 0.00 C ATOM 813 O ARG A 50 2.200 -2.590 7.478 1.00 0.00 O ATOM 814 CB ARG A 50 2.156 -1.334 4.469 1.00 0.00 C ATOM 815 CG ARG A 50 1.085 -0.235 4.325 1.00 0.00 C ATOM 816 CD ARG A 50 0.494 -0.172 2.913 1.00 0.00 C ATOM 817 NE ARG A 50 -0.119 -1.453 2.514 1.00 0.00 N ATOM 818 CZ ARG A 50 0.113 -2.134 1.396 1.00 0.00 C ATOM 819 NH1 ARG A 50 1.017 -1.766 0.518 1.00 0.00 N ATOM 820 NH2 ARG A 50 -0.511 -3.257 1.182 1.00 0.00 N ATOM 0 H ARG A 50 4.121 -2.914 6.146 1.00 0.00 H new ATOM 0 HA ARG A 50 3.390 -0.124 5.778 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.789 -1.335 3.582 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.667 -2.307 4.512 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.285 -0.416 5.042 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.524 0.731 4.575 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.255 0.618 2.868 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.278 0.092 2.203 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.792 -1.859 3.164 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.574 -0.927 0.681 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.162 -2.319 -0.327 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.175 -3.611 1.871 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.336 -3.783 0.326 1.00 0.00 H new ATOM 834 N SER A 51 1.502 -0.432 7.472 1.00 0.00 N ATOM 835 CA SER A 51 0.647 -0.568 8.654 1.00 0.00 C ATOM 836 C SER A 51 -0.370 -1.691 8.456 1.00 0.00 C ATOM 837 O SER A 51 -0.594 -2.495 9.350 1.00 0.00 O ATOM 838 CB SER A 51 -0.095 0.755 8.920 1.00 0.00 C ATOM 839 OG SER A 51 0.692 1.884 8.588 1.00 0.00 O ATOM 0 H SER A 51 1.499 0.502 7.062 1.00 0.00 H new ATOM 0 HA SER A 51 1.278 -0.811 9.509 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.018 0.775 8.341 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.377 0.807 9.972 1.00 0.00 H new ATOM 0 HG SER A 51 1.530 1.860 9.096 1.00 0.00 H new ATOM 845 N ASP A 52 -0.991 -1.730 7.268 1.00 0.00 N ATOM 846 CA ASP A 52 -2.014 -2.729 6.962 1.00 0.00 C ATOM 847 C ASP A 52 -1.427 -4.151 6.970 1.00 0.00 C ATOM 848 O ASP A 52 -2.056 -5.077 7.462 1.00 0.00 O ATOM 849 CB ASP A 52 -2.633 -2.440 5.597 1.00 0.00 C ATOM 850 CG ASP A 52 -3.836 -3.359 5.328 1.00 0.00 C ATOM 851 OD1 ASP A 52 -4.602 -3.636 6.281 1.00 0.00 O ATOM 852 OD2 ASP A 52 -3.954 -3.811 4.168 1.00 0.00 O ATOM 0 H ASP A 52 -0.800 -1.079 6.506 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.781 -2.670 7.734 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.950 -1.398 5.552 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.884 -2.579 4.818 1.00 0.00 H new ATOM 857 N GLN A 53 -0.194 -4.302 6.465 1.00 0.00 N ATOM 858 CA GLN A 53 0.488 -5.602 6.475 1.00 0.00 C ATOM 859 C GLN A 53 0.684 -6.086 7.911 1.00 0.00 C ATOM 860 O GLN A 53 0.310 -7.208 8.252 1.00 0.00 O ATOM 861 CB GLN A 53 1.851 -5.491 5.785 1.00 0.00 C ATOM 862 CG GLN A 53 1.827 -5.345 4.263 1.00 0.00 C ATOM 863 CD GLN A 53 3.220 -4.961 3.762 1.00 0.00 C ATOM 864 OE1 GLN A 53 4.234 -5.374 4.308 1.00 0.00 O ATOM 865 NE2 GLN A 53 3.334 -4.139 2.737 1.00 0.00 N ATOM 0 H GLN A 53 0.347 -3.545 6.047 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.131 -6.319 5.936 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.378 -4.633 6.203 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.435 -6.377 6.035 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.509 -6.281 3.803 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.102 -4.584 3.972 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.498 -3.786 2.271 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.258 -3.856 2.410 1.00 0.00 H new ATOM 874 N LEU A 54 1.224 -5.205 8.763 1.00 0.00 N ATOM 875 CA LEU A 54 1.408 -5.510 10.183 1.00 0.00 C ATOM 876 C LEU A 54 0.047 -5.786 10.873 1.00 0.00 C ATOM 877 O LEU A 54 -0.096 -6.759 11.607 1.00 0.00 O ATOM 878 CB LEU A 54 2.124 -4.329 10.873 1.00 0.00 C ATOM 879 CG LEU A 54 2.201 -4.359 12.409 1.00 0.00 C ATOM 880 CD1 LEU A 54 2.812 -5.656 12.932 1.00 0.00 C ATOM 881 CD2 LEU A 54 3.055 -3.190 12.915 1.00 0.00 C ATOM 0 H LEU A 54 1.541 -4.275 8.491 1.00 0.00 H new ATOM 0 HA LEU A 54 2.018 -6.409 10.271 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.141 -4.276 10.484 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.621 -3.408 10.577 1.00 0.00 H new ATOM 0 HG LEU A 54 1.178 -4.282 12.777 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.845 -5.629 14.021 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.205 -6.501 12.608 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.824 -5.765 12.541 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.104 -3.219 14.004 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.061 -3.270 12.504 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.608 -2.248 12.597 1.00 0.00 H new ATOM 893 N LYS A 55 -0.947 -4.923 10.615 1.00 0.00 N ATOM 894 CA LYS A 55 -2.285 -5.058 11.227 1.00 0.00 C ATOM 895 C LYS A 55 -2.950 -6.379 10.815 1.00 0.00 C ATOM 896 O LYS A 55 -3.522 -7.074 11.649 1.00 0.00 O ATOM 897 CB LYS A 55 -3.172 -3.873 10.804 1.00 0.00 C ATOM 898 CG LYS A 55 -4.486 -3.823 11.596 1.00 0.00 C ATOM 899 CD LYS A 55 -5.259 -2.528 11.295 1.00 0.00 C ATOM 900 CE LYS A 55 -6.532 -2.413 12.139 1.00 0.00 C ATOM 901 NZ LYS A 55 -6.232 -2.266 13.579 1.00 0.00 N ATOM 0 H LYS A 55 -0.854 -4.124 9.988 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.168 -5.059 12.311 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.625 -2.941 10.950 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.394 -3.949 9.739 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.101 -4.686 11.342 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.275 -3.885 12.663 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.617 -1.669 11.488 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.521 -2.499 10.237 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.115 -1.556 11.801 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.149 -3.298 11.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.103 -2.023 14.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.851 -3.161 13.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.530 -1.510 13.712 1.00 0.00 H new ATOM 915 N ARG A 56 -2.828 -6.740 9.529 1.00 0.00 N ATOM 916 CA ARG A 56 -3.289 -8.048 9.039 1.00 0.00 C ATOM 917 C ARG A 56 -2.544 -9.172 9.753 1.00 0.00 C ATOM 918 O ARG A 56 -3.159 -10.102 10.269 1.00 0.00 O ATOM 919 CB ARG A 56 -3.062 -8.157 7.517 1.00 0.00 C ATOM 920 CG ARG A 56 -4.063 -7.327 6.697 1.00 0.00 C ATOM 921 CD ARG A 56 -3.572 -7.093 5.260 1.00 0.00 C ATOM 922 NE ARG A 56 -3.747 -8.274 4.395 1.00 0.00 N ATOM 923 CZ ARG A 56 -2.855 -8.843 3.588 1.00 0.00 C ATOM 924 NH1 ARG A 56 -1.553 -8.625 3.656 1.00 0.00 N ATOM 925 NH2 ARG A 56 -3.288 -9.669 2.667 1.00 0.00 N ATOM 0 H ARG A 56 -2.415 -6.146 8.810 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.355 -8.140 9.247 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.049 -7.829 7.282 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.136 -9.203 7.219 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.025 -7.839 6.673 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.225 -6.367 7.186 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.113 -6.250 4.829 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.518 -6.818 5.282 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.669 -8.710 4.418 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.179 -7.987 4.359 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.923 -9.094 3.006 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.286 -9.861 2.583 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.627 -10.120 2.034 1.00 0.00 H new ATOM 939 N HIS A 57 -1.219 -9.032 9.856 1.00 0.00 N ATOM 940 CA HIS A 57 -0.378 -10.047 10.482 1.00 0.00 C ATOM 941 C HIS A 57 -0.774 -10.265 11.956 1.00 0.00 C ATOM 942 O HIS A 57 -0.867 -11.400 12.413 1.00 0.00 O ATOM 943 CB HIS A 57 1.093 -9.622 10.402 1.00 0.00 C ATOM 944 CG HIS A 57 1.940 -10.615 11.144 1.00 0.00 C ATOM 945 ND1 HIS A 57 2.096 -11.937 10.803 1.00 0.00 N ATOM 946 CD2 HIS A 57 2.548 -10.421 12.352 1.00 0.00 C ATOM 947 CE1 HIS A 57 2.777 -12.541 11.787 1.00 0.00 C ATOM 948 NE2 HIS A 57 3.046 -11.659 12.748 1.00 0.00 N ATOM 0 H HIS A 57 -0.707 -8.220 9.511 1.00 0.00 H new ATOM 0 HA HIS A 57 -0.520 -10.985 9.946 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.410 -9.563 9.361 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.220 -8.628 10.830 1.00 0.00 H new ATOM 0 HD1 HIS A 57 1.754 -12.381 9.951 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.627 -9.490 12.893 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.063 -13.582 11.799 1.00 0.00 H new ATOM 956 N GLN A 58 -1.089 -9.171 12.661 1.00 0.00 N ATOM 957 CA GLN A 58 -1.539 -9.246 14.058 1.00 0.00 C ATOM 958 C GLN A 58 -2.732 -10.217 14.210 1.00 0.00 C ATOM 959 O GLN A 58 -2.851 -10.906 15.226 1.00 0.00 O ATOM 960 CB GLN A 58 -1.917 -7.846 14.587 1.00 0.00 C ATOM 961 CG GLN A 58 -0.692 -6.977 14.959 1.00 0.00 C ATOM 962 CD GLN A 58 0.407 -7.778 15.663 1.00 0.00 C ATOM 963 OE1 GLN A 58 0.228 -8.268 16.768 1.00 0.00 O ATOM 964 NE2 GLN A 58 1.533 -7.982 15.002 1.00 0.00 N ATOM 0 H GLN A 58 -1.041 -8.223 12.287 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.710 -9.631 14.652 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.505 -7.327 13.830 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.554 -7.957 15.465 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.284 -6.525 14.055 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.013 -6.161 15.607 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.666 -7.565 14.080 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.269 -8.556 15.413 1.00 0.00 H new ATOM 973 N ARG A 59 -3.638 -10.233 13.215 1.00 0.00 N ATOM 974 CA ARG A 59 -4.824 -11.117 13.259 1.00 0.00 C ATOM 975 C ARG A 59 -4.409 -12.594 13.459 1.00 0.00 C ATOM 976 O ARG A 59 -5.110 -13.349 14.124 1.00 0.00 O ATOM 977 CB ARG A 59 -5.646 -10.975 11.966 1.00 0.00 C ATOM 978 CG ARG A 59 -6.047 -9.510 11.740 1.00 0.00 C ATOM 979 CD ARG A 59 -6.902 -9.276 10.498 1.00 0.00 C ATOM 980 NE ARG A 59 -6.921 -7.837 10.188 1.00 0.00 N ATOM 981 CZ ARG A 59 -7.158 -7.278 9.009 1.00 0.00 C ATOM 982 NH1 ARG A 59 -7.629 -7.961 7.990 1.00 0.00 N ATOM 983 NH2 ARG A 59 -6.904 -5.999 8.838 1.00 0.00 N ATOM 0 H ARG A 59 -3.576 -9.652 12.379 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.437 -10.813 14.107 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.064 -11.334 11.117 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.539 -11.597 12.026 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.593 -9.156 12.614 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.143 -8.906 11.663 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.500 -9.837 9.654 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.916 -9.637 10.667 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.732 -7.202 10.963 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.825 -8.957 8.091 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.798 -7.495 7.098 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.528 -5.446 9.608 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.083 -5.560 7.935 1.00 0.00 H new ATOM 997 N ARG A 60 -3.243 -12.981 12.903 1.00 0.00 N ATOM 998 CA ARG A 60 -2.709 -14.357 13.064 1.00 0.00 C ATOM 999 C ARG A 60 -2.461 -14.695 14.555 1.00 0.00 C ATOM 1000 O ARG A 60 -2.630 -15.838 14.969 1.00 0.00 O ATOM 1001 CB ARG A 60 -1.389 -14.502 12.273 1.00 0.00 C ATOM 1002 CG ARG A 60 -0.750 -15.899 12.339 1.00 0.00 C ATOM 1003 CD ARG A 60 0.563 -15.909 11.542 1.00 0.00 C ATOM 1004 NE ARG A 60 1.223 -17.225 11.584 1.00 0.00 N ATOM 1005 CZ ARG A 60 2.177 -17.669 10.771 1.00 0.00 C ATOM 1006 NH1 ARG A 60 2.601 -16.996 9.722 1.00 0.00 N ATOM 1007 NH2 ARG A 60 2.728 -18.840 10.995 1.00 0.00 N ATOM 0 H ARG A 60 -2.653 -12.367 12.341 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.451 -15.054 12.676 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.578 -14.253 11.229 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.673 -13.772 12.650 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.558 -16.173 13.377 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.437 -16.643 11.935 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.360 -15.638 10.506 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.237 -15.152 11.944 1.00 0.00 H new ATOM 0 HE ARG A 60 0.915 -17.865 12.316 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.194 -16.087 9.500 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.336 -17.383 9.131 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.424 -19.403 11.789 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.460 -19.186 10.375 1.00 0.00 H new ATOM 1021 N HIS A 61 -2.058 -13.687 15.349 1.00 0.00 N ATOM 1022 CA HIS A 61 -1.767 -13.889 16.785 1.00 0.00 C ATOM 1023 C HIS A 61 -3.019 -13.656 17.638 1.00 0.00 C ATOM 1024 O HIS A 61 -3.266 -14.378 18.600 1.00 0.00 O ATOM 1025 CB HIS A 61 -0.657 -12.928 17.236 1.00 0.00 C ATOM 1026 CG HIS A 61 0.693 -13.284 16.688 1.00 0.00 C ATOM 1027 ND1 HIS A 61 1.360 -14.469 16.914 1.00 0.00 N ATOM 1028 CD2 HIS A 61 1.504 -12.475 15.939 1.00 0.00 C ATOM 1029 CE1 HIS A 61 2.555 -14.375 16.309 1.00 0.00 C ATOM 1030 NE2 HIS A 61 2.678 -13.186 15.712 1.00 0.00 N ATOM 0 H HIS A 61 -1.926 -12.729 15.026 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.439 -14.920 16.921 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.913 -11.916 16.924 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.610 -12.923 18.325 1.00 0.00 H new ATOM 0 HD1 HIS A 61 1.011 -15.268 17.442 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.277 -11.478 15.592 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.308 -15.149 16.305 1.00 0.00 H new ATOM 1038 N THR A 62 -3.783 -12.615 17.297 1.00 0.00 N ATOM 1039 CA THR A 62 -4.976 -12.226 18.075 1.00 0.00 C ATOM 1040 C THR A 62 -6.176 -13.151 17.766 1.00 0.00 C ATOM 1041 O THR A 62 -7.135 -13.203 18.529 1.00 0.00 O ATOM 1042 CB THR A 62 -5.379 -10.778 17.763 1.00 0.00 C ATOM 1043 OG1 THR A 62 -5.549 -10.606 16.385 1.00 0.00 O ATOM 1044 CG2 THR A 62 -4.304 -9.768 18.154 1.00 0.00 C ATOM 0 H THR A 62 -3.601 -12.022 16.487 1.00 0.00 H new ATOM 0 HA THR A 62 -4.715 -12.319 19.129 1.00 0.00 H new ATOM 0 HB THR A 62 -6.293 -10.607 18.331 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.672 -10.549 15.952 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.644 -8.762 17.910 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.112 -9.837 19.225 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.386 -9.983 17.607 1.00 0.00 H new ATOM 1052 N GLY A 63 -6.087 -13.899 16.653 1.00 0.00 N ATOM 1053 CA GLY A 63 -7.104 -14.911 16.318 1.00 0.00 C ATOM 1054 C GLY A 63 -8.440 -14.294 15.854 1.00 0.00 C ATOM 1055 O GLY A 63 -9.429 -15.006 15.687 1.00 0.00 O ATOM 0 H GLY A 63 -5.328 -13.823 15.975 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.718 -15.560 15.532 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.284 -15.539 17.190 1.00 0.00 H new ATOM 1059 N VAL A 64 -8.468 -12.965 15.674 1.00 0.00 N ATOM 1060 CA VAL A 64 -9.709 -12.257 15.326 1.00 0.00 C ATOM 1061 C VAL A 64 -10.151 -12.592 13.894 1.00 0.00 C ATOM 1062 O VAL A 64 -9.340 -12.595 12.961 1.00 0.00 O ATOM 1063 CB VAL A 64 -9.519 -10.728 15.468 1.00 0.00 C ATOM 1064 CG1 VAL A 64 -9.236 -10.357 16.928 1.00 0.00 C ATOM 1065 CG2 VAL A 64 -8.452 -10.104 14.561 1.00 0.00 C ATOM 0 H VAL A 64 -7.650 -12.362 15.763 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.485 -12.587 16.017 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.465 -10.304 15.132 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.105 -9.278 17.010 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.074 -10.669 17.552 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.328 -10.859 17.262 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.403 -9.030 14.743 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.483 -10.553 14.777 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.711 -10.284 13.518 1.00 0.00 H new ATOM 1075 N LYS A 65 -11.460 -12.817 13.725 1.00 0.00 N ATOM 1076 CA LYS A 65 -12.059 -13.031 12.401 1.00 0.00 C ATOM 1077 C LYS A 65 -13.294 -12.124 12.225 1.00 0.00 C ATOM 1078 O LYS A 65 -14.430 -12.564 12.415 1.00 0.00 O ATOM 1079 CB LYS A 65 -12.463 -14.508 12.238 1.00 0.00 C ATOM 1080 CG LYS A 65 -11.290 -15.486 12.100 1.00 0.00 C ATOM 1081 CD LYS A 65 -11.770 -16.941 12.047 1.00 0.00 C ATOM 1082 CE LYS A 65 -10.609 -17.866 11.671 1.00 0.00 C ATOM 1083 NZ LYS A 65 -11.081 -19.241 11.414 1.00 0.00 N ATOM 0 H LYS A 65 -12.129 -12.856 14.494 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.324 -12.778 11.637 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.064 -14.803 13.099 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.100 -14.601 11.358 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.728 -15.255 11.195 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.608 -15.358 12.941 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.179 -17.233 13.015 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.575 -17.040 11.318 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.106 -17.480 10.784 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.874 -17.876 12.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.272 -19.844 11.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.539 -19.616 12.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.764 -19.233 10.630 1.00 0.00 H new ATOM 1097 N PRO A 66 -13.072 -10.821 11.939 1.00 0.00 N ATOM 1098 CA PRO A 66 -14.146 -9.831 11.885 1.00 0.00 C ATOM 1099 C PRO A 66 -15.021 -9.955 10.622 1.00 0.00 C ATOM 1100 O PRO A 66 -16.125 -9.417 10.579 1.00 0.00 O ATOM 1101 CB PRO A 66 -13.405 -8.486 11.901 1.00 0.00 C ATOM 1102 CG PRO A 66 -12.041 -8.786 11.286 1.00 0.00 C ATOM 1103 CD PRO A 66 -11.761 -10.205 11.770 1.00 0.00 C ATOM 0 HA PRO A 66 -14.843 -9.958 12.713 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.941 -7.732 11.325 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -13.305 -8.101 12.916 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.065 -8.727 10.198 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.280 -8.084 11.627 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -11.158 -10.755 11.047 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -11.206 -10.198 12.708 1.00 0.00 H new ATOM 1111 N PHE A 67 -14.539 -10.701 9.610 1.00 0.00 N ATOM 1112 CA PHE A 67 -15.325 -10.935 8.392 1.00 0.00 C ATOM 1113 C PHE A 67 -16.189 -12.197 8.558 1.00 0.00 C ATOM 1114 O PHE A 67 -15.695 -13.229 8.959 1.00 0.00 O ATOM 1115 CB PHE A 67 -14.379 -11.091 7.184 1.00 0.00 C ATOM 1116 CG PHE A 67 -13.473 -9.888 6.975 1.00 0.00 C ATOM 1117 CD1 PHE A 67 -13.922 -8.790 6.215 1.00 0.00 C ATOM 1118 CD2 PHE A 67 -12.201 -9.840 7.575 1.00 0.00 C ATOM 1119 CE1 PHE A 67 -13.113 -7.648 6.075 1.00 0.00 C ATOM 1120 CE2 PHE A 67 -11.389 -8.700 7.430 1.00 0.00 C ATOM 1121 CZ PHE A 67 -11.847 -7.603 6.682 1.00 0.00 C ATOM 0 H PHE A 67 -13.621 -11.145 9.614 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.982 -10.082 8.220 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -13.765 -11.981 7.324 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -14.973 -11.252 6.284 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -14.890 -8.825 5.738 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -11.846 -10.683 8.150 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -13.466 -6.805 5.500 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.414 -8.669 7.894 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.226 -6.726 6.574 1.00 0.00 H new ATOM 1131 N GLN A 68 -17.498 -12.073 8.320 1.00 0.00 N ATOM 1132 CA GLN A 68 -18.423 -13.226 8.418 1.00 0.00 C ATOM 1133 C GLN A 68 -19.192 -13.411 7.110 1.00 0.00 C ATOM 1134 O GLN A 68 -19.736 -12.448 6.564 1.00 0.00 O ATOM 1135 CB GLN A 68 -19.407 -13.002 9.578 1.00 0.00 C ATOM 1136 CG GLN A 68 -20.363 -14.179 9.816 1.00 0.00 C ATOM 1137 CD GLN A 68 -21.131 -14.041 11.129 1.00 0.00 C ATOM 1138 OE1 GLN A 68 -20.559 -13.806 12.184 1.00 0.00 O ATOM 1139 NE2 GLN A 68 -22.441 -14.194 11.141 1.00 0.00 N ATOM 0 H GLN A 68 -17.947 -11.195 8.059 1.00 0.00 H new ATOM 0 HA GLN A 68 -17.840 -14.128 8.606 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -18.841 -12.815 10.491 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.993 -12.105 9.377 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -21.070 -14.244 8.989 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -19.796 -15.110 9.825 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -22.939 -14.391 10.273 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -22.956 -14.116 12.018 1.00 0.00 H new ATOM 1148 N CYS A 69 -19.251 -14.657 6.613 1.00 0.00 N ATOM 1149 CA CYS A 69 -19.990 -14.954 5.387 1.00 0.00 C ATOM 1150 C CYS A 69 -21.492 -14.702 5.589 1.00 0.00 C ATOM 1151 O CYS A 69 -22.115 -15.270 6.484 1.00 0.00 O ATOM 1152 CB CYS A 69 -19.768 -16.417 4.977 1.00 0.00 C ATOM 1153 SG CYS A 69 -20.832 -16.784 3.546 1.00 0.00 S ATOM 0 H CYS A 69 -18.798 -15.465 7.041 1.00 0.00 H new ATOM 0 HA CYS A 69 -19.623 -14.297 4.598 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -18.721 -16.585 4.724 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -20.006 -17.083 5.806 1.00 0.00 H new ATOM 0 HG CYS A 69 -20.241 -17.649 2.776 1.00 0.00 H new ATOM 1158 N LYS A 70 -22.066 -13.852 4.730 1.00 0.00 N ATOM 1159 CA LYS A 70 -23.503 -13.535 4.793 1.00 0.00 C ATOM 1160 C LYS A 70 -24.377 -14.791 4.539 1.00 0.00 C ATOM 1161 O LYS A 70 -25.583 -14.765 4.778 1.00 0.00 O ATOM 1162 CB LYS A 70 -23.845 -12.443 3.754 1.00 0.00 C ATOM 1163 CG LYS A 70 -23.646 -12.745 2.249 1.00 0.00 C ATOM 1164 CD LYS A 70 -22.186 -12.761 1.751 1.00 0.00 C ATOM 1165 CE LYS A 70 -21.646 -14.189 1.651 1.00 0.00 C ATOM 1166 NZ LYS A 70 -20.171 -14.247 1.663 1.00 0.00 N ATOM 0 H LYS A 70 -21.562 -13.371 3.985 1.00 0.00 H new ATOM 0 HA LYS A 70 -23.721 -13.171 5.797 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -24.890 -12.168 3.898 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -23.248 -11.563 3.994 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -24.094 -13.714 2.031 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -24.198 -12.002 1.673 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -22.128 -12.279 0.775 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -21.562 -12.181 2.431 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -22.035 -14.778 2.482 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -22.015 -14.648 0.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -19.862 -15.128 2.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -19.815 -14.222 0.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -19.796 -13.432 2.189 1.00 0.00 H new ATOM 1180 N THR A 71 -23.752 -15.882 4.071 1.00 0.00 N ATOM 1181 CA THR A 71 -24.473 -17.121 3.741 1.00 0.00 C ATOM 1182 C THR A 71 -24.360 -18.144 4.890 1.00 0.00 C ATOM 1183 O THR A 71 -25.318 -18.351 5.637 1.00 0.00 O ATOM 1184 CB THR A 71 -23.919 -17.760 2.431 1.00 0.00 C ATOM 1185 OG1 THR A 71 -22.982 -16.935 1.773 1.00 0.00 O ATOM 1186 CG2 THR A 71 -25.035 -18.025 1.426 1.00 0.00 C ATOM 0 H THR A 71 -22.746 -15.931 3.912 1.00 0.00 H new ATOM 0 HA THR A 71 -25.520 -16.858 3.594 1.00 0.00 H new ATOM 0 HB THR A 71 -23.442 -18.686 2.753 1.00 0.00 H new ATOM 0 HG1 THR A 71 -22.121 -16.981 2.239 1.00 0.00 H new ATOM 0 HG21 THR A 71 -24.615 -18.470 0.524 1.00 0.00 H new ATOM 0 HG22 THR A 71 -25.763 -18.708 1.863 1.00 0.00 H new ATOM 0 HG23 THR A 71 -25.526 -17.086 1.171 1.00 0.00 H new ATOM 1194 N CYS A 72 -23.181 -18.776 5.025 1.00 0.00 N ATOM 1195 CA CYS A 72 -22.987 -19.871 5.987 1.00 0.00 C ATOM 1196 C CYS A 72 -22.429 -19.355 7.333 1.00 0.00 C ATOM 1197 O CYS A 72 -22.211 -20.138 8.261 1.00 0.00 O ATOM 1198 CB CYS A 72 -22.023 -20.898 5.398 1.00 0.00 C ATOM 1199 SG CYS A 72 -20.431 -20.097 5.147 1.00 0.00 S ATOM 0 H CYS A 72 -22.350 -18.546 4.480 1.00 0.00 H new ATOM 0 HA CYS A 72 -23.958 -20.329 6.178 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -21.918 -21.750 6.070 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -22.408 -21.283 4.454 1.00 0.00 H new ATOM 0 HG CYS A 72 -20.596 -19.011 4.452 1.00 0.00 H new ATOM 1204 N GLN A 73 -22.230 -18.027 7.434 1.00 0.00 N ATOM 1205 CA GLN A 73 -21.727 -17.388 8.668 1.00 0.00 C ATOM 1206 C GLN A 73 -20.281 -17.842 8.992 1.00 0.00 C ATOM 1207 O GLN A 73 -19.788 -17.624 10.102 1.00 0.00 O ATOM 1208 CB GLN A 73 -22.668 -17.700 9.858 1.00 0.00 C ATOM 1209 CG GLN A 73 -24.168 -17.524 9.527 1.00 0.00 C ATOM 1210 CD GLN A 73 -24.483 -16.230 8.772 1.00 0.00 C ATOM 1211 OE1 GLN A 73 -24.205 -15.134 9.247 1.00 0.00 O ATOM 1212 NE2 GLN A 73 -25.059 -16.305 7.583 1.00 0.00 N ATOM 0 H GLN A 73 -22.410 -17.372 6.673 1.00 0.00 H new ATOM 0 HA GLN A 73 -21.710 -16.311 8.503 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -22.495 -18.725 10.187 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -22.411 -17.049 10.694 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -24.502 -18.373 8.930 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -24.740 -17.542 10.454 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -25.291 -17.215 7.185 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -25.271 -15.453 7.064 1.00 0.00 H new ATOM 1221 N ARG A 74 -19.586 -18.412 7.989 1.00 0.00 N ATOM 1222 CA ARG A 74 -18.182 -18.795 8.134 1.00 0.00 C ATOM 1223 C ARG A 74 -17.315 -17.561 8.304 1.00 0.00 C ATOM 1224 O ARG A 74 -17.364 -16.638 7.489 1.00 0.00 O ATOM 1225 CB ARG A 74 -17.719 -19.591 6.901 1.00 0.00 C ATOM 1226 CG ARG A 74 -16.264 -20.081 6.951 1.00 0.00 C ATOM 1227 CD ARG A 74 -15.989 -21.001 8.147 1.00 0.00 C ATOM 1228 NE ARG A 74 -14.792 -21.837 7.947 1.00 0.00 N ATOM 1229 CZ ARG A 74 -13.520 -21.455 7.911 1.00 0.00 C ATOM 1230 NH1 ARG A 74 -13.132 -20.204 8.040 1.00 0.00 N ATOM 1231 NH2 ARG A 74 -12.588 -22.368 7.754 1.00 0.00 N ATOM 0 H ARG A 74 -19.981 -18.615 7.071 1.00 0.00 H new ATOM 0 HA ARG A 74 -18.083 -19.422 9.020 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -18.373 -20.454 6.779 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -17.846 -18.967 6.016 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -16.032 -20.613 6.028 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -15.597 -19.220 6.999 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -15.861 -20.397 9.045 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -16.854 -21.643 8.315 1.00 0.00 H new ATOM 0 HE ARG A 74 -14.961 -22.835 7.820 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -13.824 -19.467 8.176 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.139 -19.972 8.004 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.847 -23.350 7.662 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.606 -22.094 7.724 1.00 0.00 H new ATOM 1245 N LYS A 75 -16.580 -17.510 9.414 1.00 0.00 N ATOM 1246 CA LYS A 75 -15.796 -16.337 9.757 1.00 0.00 C ATOM 1247 C LYS A 75 -14.379 -16.417 9.160 1.00 0.00 C ATOM 1248 O LYS A 75 -13.785 -17.495 9.068 1.00 0.00 O ATOM 1249 CB LYS A 75 -15.715 -16.197 11.285 1.00 0.00 C ATOM 1250 CG LYS A 75 -16.900 -15.356 11.786 1.00 0.00 C ATOM 1251 CD LYS A 75 -16.757 -15.009 13.275 1.00 0.00 C ATOM 1252 CE LYS A 75 -17.719 -13.894 13.701 1.00 0.00 C ATOM 1253 NZ LYS A 75 -17.392 -12.611 13.043 1.00 0.00 N ATOM 0 H LYS A 75 -16.515 -18.272 10.089 1.00 0.00 H new ATOM 0 HA LYS A 75 -16.289 -15.461 9.335 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -15.731 -17.182 11.752 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.774 -15.725 11.568 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -16.968 -14.438 11.203 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.829 -15.904 11.627 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.946 -15.900 13.874 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.732 -14.700 13.478 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -18.741 -14.180 13.453 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -17.676 -13.770 14.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.306 -11.864 13.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -16.492 -12.703 12.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -18.148 -12.362 12.373 1.00 0.00 H new ATOM 1267 N PHE A 76 -13.850 -15.250 8.786 1.00 0.00 N ATOM 1268 CA PHE A 76 -12.505 -15.118 8.227 1.00 0.00 C ATOM 1269 C PHE A 76 -11.822 -13.830 8.758 1.00 0.00 C ATOM 1270 O PHE A 76 -12.494 -12.911 9.252 1.00 0.00 O ATOM 1271 CB PHE A 76 -12.585 -15.057 6.685 1.00 0.00 C ATOM 1272 CG PHE A 76 -13.258 -16.233 5.998 1.00 0.00 C ATOM 1273 CD1 PHE A 76 -12.532 -17.412 5.741 1.00 0.00 C ATOM 1274 CD2 PHE A 76 -14.609 -16.147 5.601 1.00 0.00 C ATOM 1275 CE1 PHE A 76 -13.152 -18.495 5.092 1.00 0.00 C ATOM 1276 CE2 PHE A 76 -15.230 -17.231 4.954 1.00 0.00 C ATOM 1277 CZ PHE A 76 -14.497 -18.403 4.698 1.00 0.00 C ATOM 0 H PHE A 76 -14.348 -14.363 8.864 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.915 -15.983 8.530 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -13.117 -14.148 6.406 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.572 -14.966 6.293 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.498 -17.485 6.043 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -15.169 -15.244 5.795 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -12.593 -19.398 4.896 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -16.266 -17.163 4.655 1.00 0.00 H new ATOM 0 HZ PHE A 76 -14.969 -19.235 4.197 1.00 0.00 H new ATOM 1287 N SER A 77 -10.484 -13.771 8.640 1.00 0.00 N ATOM 1288 CA SER A 77 -9.700 -12.619 9.144 1.00 0.00 C ATOM 1289 C SER A 77 -9.287 -11.669 8.003 1.00 0.00 C ATOM 1290 O SER A 77 -8.663 -10.634 8.248 1.00 0.00 O ATOM 1291 CB SER A 77 -8.433 -13.115 9.860 1.00 0.00 C ATOM 1292 OG SER A 77 -8.699 -13.968 10.945 1.00 0.00 O ATOM 0 H SER A 77 -9.921 -14.501 8.203 1.00 0.00 H new ATOM 0 HA SER A 77 -10.337 -12.072 9.839 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.802 -13.639 9.143 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.866 -12.255 10.215 1.00 0.00 H new ATOM 0 HG SER A 77 -9.253 -13.498 11.603 1.00 0.00 H new ATOM 1298 N ARG A 78 -9.618 -12.040 6.755 1.00 0.00 N ATOM 1299 CA ARG A 78 -9.223 -11.256 5.577 1.00 0.00 C ATOM 1300 C ARG A 78 -10.401 -11.086 4.617 1.00 0.00 C ATOM 1301 O ARG A 78 -11.047 -12.065 4.226 1.00 0.00 O ATOM 1302 CB ARG A 78 -8.053 -11.953 4.853 1.00 0.00 C ATOM 1303 CG ARG A 78 -6.702 -11.641 5.528 1.00 0.00 C ATOM 1304 CD ARG A 78 -5.616 -12.693 5.277 1.00 0.00 C ATOM 1305 NE ARG A 78 -5.307 -12.889 3.850 1.00 0.00 N ATOM 1306 CZ ARG A 78 -4.104 -13.021 3.299 1.00 0.00 C ATOM 1307 NH1 ARG A 78 -2.999 -12.722 3.942 1.00 0.00 N ATOM 1308 NH2 ARG A 78 -4.013 -13.467 2.070 1.00 0.00 N ATOM 0 H ARG A 78 -10.158 -12.878 6.538 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.906 -10.268 5.911 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.218 -13.030 4.848 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.024 -11.630 3.812 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.345 -10.675 5.172 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.859 -11.546 6.602 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.707 -12.397 5.800 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.936 -13.643 5.705 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.104 -12.928 3.214 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.044 -12.374 4.900 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.095 -12.837 3.484 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.857 -13.707 1.551 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.098 -13.574 1.633 1.00 0.00 H new ATOM 1322 N SER A 79 -10.640 -9.835 4.200 1.00 0.00 N ATOM 1323 CA SER A 79 -11.716 -9.517 3.249 1.00 0.00 C ATOM 1324 C SER A 79 -11.533 -10.293 1.942 1.00 0.00 C ATOM 1325 O SER A 79 -12.500 -10.737 1.340 1.00 0.00 O ATOM 1326 CB SER A 79 -11.721 -8.009 2.954 1.00 0.00 C ATOM 1327 OG SER A 79 -12.938 -7.613 2.358 1.00 0.00 O ATOM 0 H SER A 79 -10.102 -9.025 4.507 1.00 0.00 H new ATOM 0 HA SER A 79 -12.667 -9.807 3.697 1.00 0.00 H new ATOM 0 HB2 SER A 79 -11.568 -7.454 3.879 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.891 -7.762 2.292 1.00 0.00 H new ATOM 0 HG SER A 79 -12.917 -6.649 2.181 1.00 0.00 H new ATOM 1333 N ASP A 80 -10.278 -10.416 1.494 1.00 0.00 N ATOM 1334 CA ASP A 80 -9.965 -11.084 0.225 1.00 0.00 C ATOM 1335 C ASP A 80 -10.309 -12.603 0.278 1.00 0.00 C ATOM 1336 O ASP A 80 -10.785 -13.170 -0.710 1.00 0.00 O ATOM 1337 CB ASP A 80 -8.478 -10.884 -0.111 1.00 0.00 C ATOM 1338 CG ASP A 80 -7.444 -11.182 0.986 1.00 0.00 C ATOM 1339 OD1 ASP A 80 -7.398 -12.329 1.473 1.00 0.00 O ATOM 1340 OD2 ASP A 80 -6.694 -10.236 1.321 1.00 0.00 O ATOM 0 H ASP A 80 -9.462 -10.061 1.992 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.578 -10.636 -0.557 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -8.243 -11.511 -0.971 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.343 -9.849 -0.425 1.00 0.00 H new ATOM 1345 N HIS A 81 -10.120 -13.228 1.451 1.00 0.00 N ATOM 1346 CA HIS A 81 -10.476 -14.646 1.644 1.00 0.00 C ATOM 1347 C HIS A 81 -11.992 -14.813 1.789 1.00 0.00 C ATOM 1348 O HIS A 81 -12.555 -15.780 1.293 1.00 0.00 O ATOM 1349 CB HIS A 81 -9.774 -15.211 2.886 1.00 0.00 C ATOM 1350 CG HIS A 81 -8.294 -15.418 2.742 1.00 0.00 C ATOM 1351 ND1 HIS A 81 -7.461 -15.676 3.793 1.00 0.00 N ATOM 1352 CD2 HIS A 81 -7.529 -15.342 1.605 1.00 0.00 C ATOM 1353 CE1 HIS A 81 -6.215 -15.747 3.308 1.00 0.00 C ATOM 1354 NE2 HIS A 81 -6.199 -15.501 1.989 1.00 0.00 N ATOM 0 H HIS A 81 -9.725 -12.778 2.277 1.00 0.00 H new ATOM 0 HA HIS A 81 -10.145 -15.197 0.764 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.951 -14.536 3.723 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -10.235 -16.165 3.143 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -7.737 -15.793 4.768 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -7.891 -15.188 0.599 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.340 -15.972 3.899 1.00 0.00 H new ATOM 1362 N LEU A 82 -12.659 -13.832 2.420 1.00 0.00 N ATOM 1363 CA LEU A 82 -14.127 -13.834 2.506 1.00 0.00 C ATOM 1364 C LEU A 82 -14.752 -13.626 1.114 1.00 0.00 C ATOM 1365 O LEU A 82 -15.654 -14.358 0.718 1.00 0.00 O ATOM 1366 CB LEU A 82 -14.611 -12.732 3.467 1.00 0.00 C ATOM 1367 CG LEU A 82 -16.156 -12.795 3.596 1.00 0.00 C ATOM 1368 CD1 LEU A 82 -16.642 -12.548 5.018 1.00 0.00 C ATOM 1369 CD2 LEU A 82 -16.885 -11.783 2.697 1.00 0.00 C ATOM 0 H LEU A 82 -12.210 -13.036 2.873 1.00 0.00 H new ATOM 0 HA LEU A 82 -14.444 -14.803 2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -14.149 -12.860 4.446 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -14.307 -11.753 3.097 1.00 0.00 H new ATOM 0 HG LEU A 82 -16.395 -13.811 3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -17.730 -12.605 5.046 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -16.222 -13.303 5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -16.322 -11.559 5.345 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -17.961 -11.881 2.837 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -16.575 -10.772 2.962 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -16.636 -11.977 1.654 1.00 0.00 H new ATOM 1381 N LYS A 83 -14.241 -12.636 0.368 1.00 0.00 N ATOM 1382 CA LYS A 83 -14.684 -12.378 -1.016 1.00 0.00 C ATOM 1383 C LYS A 83 -14.387 -13.588 -1.913 1.00 0.00 C ATOM 1384 O LYS A 83 -15.156 -13.905 -2.809 1.00 0.00 O ATOM 1385 CB LYS A 83 -13.963 -11.132 -1.564 1.00 0.00 C ATOM 1386 CG LYS A 83 -14.489 -10.612 -2.910 1.00 0.00 C ATOM 1387 CD LYS A 83 -13.617 -9.440 -3.394 1.00 0.00 C ATOM 1388 CE LYS A 83 -14.168 -8.790 -4.668 1.00 0.00 C ATOM 1389 NZ LYS A 83 -15.327 -7.919 -4.385 1.00 0.00 N ATOM 0 H LYS A 83 -13.518 -11.997 0.699 1.00 0.00 H new ATOM 0 HA LYS A 83 -15.760 -12.206 -1.013 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -14.043 -10.332 -0.827 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.903 -11.363 -1.671 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.479 -11.414 -3.649 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -15.524 -10.288 -2.805 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.551 -8.690 -2.606 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.604 -9.797 -3.580 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.382 -8.205 -5.146 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -14.461 -9.567 -5.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.670 -7.499 -5.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -16.087 -8.482 -3.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.041 -7.162 -3.731 1.00 0.00 H new ATOM 1403 N THR A 84 -13.277 -14.275 -1.634 1.00 0.00 N ATOM 1404 CA THR A 84 -12.920 -15.501 -2.355 1.00 0.00 C ATOM 1405 C THR A 84 -13.891 -16.640 -2.004 1.00 0.00 C ATOM 1406 O THR A 84 -14.518 -17.223 -2.887 1.00 0.00 O ATOM 1407 CB THR A 84 -11.494 -15.933 -1.990 1.00 0.00 C ATOM 1408 OG1 THR A 84 -10.615 -14.975 -2.531 1.00 0.00 O ATOM 1409 CG2 THR A 84 -11.052 -17.320 -2.424 1.00 0.00 C ATOM 0 H THR A 84 -12.608 -14.003 -0.913 1.00 0.00 H new ATOM 0 HA THR A 84 -12.981 -15.293 -3.423 1.00 0.00 H new ATOM 0 HB THR A 84 -11.477 -15.992 -0.902 1.00 0.00 H new ATOM 0 HG1 THR A 84 -10.345 -14.346 -1.830 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.025 -17.492 -2.101 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.705 -18.068 -1.973 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.108 -17.397 -3.510 1.00 0.00 H new ATOM 1417 N HIS A 85 -14.113 -16.850 -0.700 1.00 0.00 N ATOM 1418 CA HIS A 85 -15.057 -17.862 -0.216 1.00 0.00 C ATOM 1419 C HIS A 85 -16.491 -17.549 -0.695 1.00 0.00 C ATOM 1420 O HIS A 85 -17.254 -18.451 -1.023 1.00 0.00 O ATOM 1421 CB HIS A 85 -15.016 -17.907 1.317 1.00 0.00 C ATOM 1422 CG HIS A 85 -16.192 -18.612 1.915 1.00 0.00 C ATOM 1423 ND1 HIS A 85 -16.426 -19.971 1.928 1.00 0.00 N ATOM 1424 CD2 HIS A 85 -17.308 -17.980 2.385 1.00 0.00 C ATOM 1425 CE1 HIS A 85 -17.687 -20.149 2.356 1.00 0.00 C ATOM 1426 NE2 HIS A 85 -18.243 -18.968 2.646 1.00 0.00 N ATOM 0 H HIS A 85 -13.647 -16.328 0.042 1.00 0.00 H new ATOM 0 HA HIS A 85 -14.767 -18.832 -0.619 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -14.101 -18.406 1.636 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.975 -16.889 1.703 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -15.767 -20.703 1.663 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -17.436 -16.917 2.526 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -18.179 -21.105 2.452 1.00 0.00 H new ATOM 1434 N THR A 86 -16.799 -16.261 -0.824 1.00 0.00 N ATOM 1435 CA THR A 86 -18.090 -15.803 -1.352 1.00 0.00 C ATOM 1436 C THR A 86 -18.371 -16.438 -2.726 1.00 0.00 C ATOM 1437 O THR A 86 -19.506 -16.835 -3.016 1.00 0.00 O ATOM 1438 CB THR A 86 -18.109 -14.268 -1.485 1.00 0.00 C ATOM 1439 OG1 THR A 86 -17.946 -13.693 -0.210 1.00 0.00 O ATOM 1440 CG2 THR A 86 -19.364 -13.618 -2.042 1.00 0.00 C ATOM 0 H THR A 86 -16.165 -15.504 -0.567 1.00 0.00 H new ATOM 0 HA THR A 86 -18.865 -16.111 -0.651 1.00 0.00 H new ATOM 0 HB THR A 86 -17.309 -14.085 -2.202 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.000 -13.723 0.044 1.00 0.00 H new ATOM 0 HG21 THR A 86 -19.229 -12.537 -2.076 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.552 -13.992 -3.048 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.213 -13.858 -1.402 1.00 0.00 H new ATOM 1448 N ARG A 87 -17.329 -16.523 -3.579 1.00 0.00 N ATOM 1449 CA ARG A 87 -17.480 -17.076 -4.939 1.00 0.00 C ATOM 1450 C ARG A 87 -17.927 -18.555 -4.902 1.00 0.00 C ATOM 1451 O ARG A 87 -18.558 -19.034 -5.839 1.00 0.00 O ATOM 1452 CB ARG A 87 -16.153 -16.963 -5.703 1.00 0.00 C ATOM 1453 CG ARG A 87 -15.672 -15.515 -5.879 1.00 0.00 C ATOM 1454 CD ARG A 87 -14.456 -15.420 -6.814 1.00 0.00 C ATOM 1455 NE ARG A 87 -13.291 -14.827 -6.137 1.00 0.00 N ATOM 1456 CZ ARG A 87 -13.015 -13.533 -6.014 1.00 0.00 C ATOM 1457 NH1 ARG A 87 -13.749 -12.593 -6.575 1.00 0.00 N ATOM 1458 NH2 ARG A 87 -11.968 -13.157 -5.313 1.00 0.00 N ATOM 0 H ARG A 87 -16.382 -16.218 -3.352 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.251 -16.497 -5.448 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -15.388 -17.530 -5.173 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -16.267 -17.422 -6.685 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -16.485 -14.909 -6.280 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -15.414 -15.098 -4.905 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.198 -16.415 -7.177 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -14.714 -14.819 -7.686 1.00 0.00 H new ATOM 0 HE ARG A 87 -12.626 -15.478 -5.719 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -14.566 -12.847 -7.130 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -13.500 -11.611 -6.454 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.374 -13.857 -4.868 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.750 -12.166 -5.214 1.00 0.00 H new ATOM 1472 N THR A 88 -17.655 -19.249 -3.779 1.00 0.00 N ATOM 1473 CA THR A 88 -18.093 -20.658 -3.604 1.00 0.00 C ATOM 1474 C THR A 88 -19.628 -20.748 -3.505 1.00 0.00 C ATOM 1475 O THR A 88 -20.223 -21.725 -3.951 1.00 0.00 O ATOM 1476 CB THR A 88 -17.478 -21.295 -2.337 1.00 0.00 C ATOM 1477 OG1 THR A 88 -18.022 -20.803 -1.138 1.00 0.00 O ATOM 1478 CG2 THR A 88 -15.952 -21.188 -2.264 1.00 0.00 C ATOM 0 H THR A 88 -17.141 -18.867 -2.985 1.00 0.00 H new ATOM 0 HA THR A 88 -17.746 -21.205 -4.481 1.00 0.00 H new ATOM 0 HB THR A 88 -17.745 -22.347 -2.439 1.00 0.00 H new ATOM 0 HG1 THR A 88 -17.466 -20.068 -0.804 1.00 0.00 H new ATOM 0 HG21 THR A 88 -15.598 -21.658 -1.347 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.510 -21.692 -3.124 1.00 0.00 H new ATOM 0 HG23 THR A 88 -15.660 -20.138 -2.270 1.00 0.00 H new ATOM 1486 N HIS A 89 -20.265 -19.682 -2.988 1.00 0.00 N ATOM 1487 CA HIS A 89 -21.734 -19.597 -2.937 1.00 0.00 C ATOM 1488 C HIS A 89 -22.282 -18.875 -4.181 1.00 0.00 C ATOM 1489 O HIS A 89 -23.448 -19.032 -4.534 1.00 0.00 O ATOM 1490 CB HIS A 89 -22.170 -18.838 -1.675 1.00 0.00 C ATOM 1491 CG HIS A 89 -21.892 -19.541 -0.372 1.00 0.00 C ATOM 1492 ND1 HIS A 89 -22.423 -20.749 0.029 1.00 0.00 N ATOM 1493 CD2 HIS A 89 -21.186 -19.027 0.682 1.00 0.00 C ATOM 1494 CE1 HIS A 89 -22.045 -20.950 1.305 1.00 0.00 C ATOM 1495 NE2 HIS A 89 -21.308 -19.922 1.743 1.00 0.00 N ATOM 0 H HIS A 89 -19.786 -18.869 -2.600 1.00 0.00 H new ATOM 0 HA HIS A 89 -22.134 -20.610 -2.913 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -21.668 -17.871 -1.661 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -23.240 -18.641 -1.741 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -20.635 -18.098 0.690 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -22.301 -21.819 1.893 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -20.911 -19.814 2.676 1.00 0.00 H new ATOM 1503 N THR A 90 -21.434 -18.050 -4.809 1.00 0.00 N ATOM 1504 CA THR A 90 -21.861 -17.187 -5.925 1.00 0.00 C ATOM 1505 C THR A 90 -21.655 -17.886 -7.289 1.00 0.00 C ATOM 1506 O THR A 90 -22.069 -17.370 -8.322 1.00 0.00 O ATOM 1507 CB THR A 90 -21.052 -15.871 -5.919 1.00 0.00 C ATOM 1508 OG1 THR A 90 -21.012 -15.337 -4.611 1.00 0.00 O ATOM 1509 CG2 THR A 90 -21.585 -14.746 -6.798 1.00 0.00 C ATOM 0 H THR A 90 -20.448 -17.960 -4.565 1.00 0.00 H new ATOM 0 HA THR A 90 -22.922 -16.979 -5.789 1.00 0.00 H new ATOM 0 HB THR A 90 -20.083 -16.174 -6.314 1.00 0.00 H new ATOM 0 HG1 THR A 90 -20.391 -15.860 -4.063 1.00 0.00 H new ATOM 0 HG21 THR A 90 -20.934 -13.876 -6.710 1.00 0.00 H new ATOM 0 HG22 THR A 90 -21.611 -15.077 -7.836 1.00 0.00 H new ATOM 0 HG23 THR A 90 -22.592 -14.479 -6.477 1.00 0.00 H new ATOM 1517 N GLY A 91 -21.023 -19.074 -7.271 1.00 0.00 N ATOM 1518 CA GLY A 91 -20.718 -19.802 -8.519 1.00 0.00 C ATOM 1519 C GLY A 91 -19.774 -19.008 -9.451 1.00 0.00 C ATOM 1520 O GLY A 91 -19.671 -19.305 -10.640 1.00 0.00 O ATOM 0 H GLY A 91 -20.717 -19.546 -6.420 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -20.260 -20.760 -8.274 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -21.647 -20.018 -9.046 1.00 0.00 H new ATOM 1524 N GLU A 92 -19.113 -17.983 -8.900 1.00 0.00 N ATOM 1525 CA GLU A 92 -18.275 -17.079 -9.686 1.00 0.00 C ATOM 1526 C GLU A 92 -16.914 -17.731 -9.999 1.00 0.00 C ATOM 1527 O GLU A 92 -15.981 -17.658 -9.198 1.00 0.00 O ATOM 1528 CB GLU A 92 -18.069 -15.760 -8.913 1.00 0.00 C ATOM 1529 CG GLU A 92 -17.235 -14.687 -9.631 1.00 0.00 C ATOM 1530 CD GLU A 92 -17.252 -13.363 -8.857 1.00 0.00 C ATOM 1531 OE1 GLU A 92 -18.303 -12.688 -8.906 1.00 0.00 O ATOM 1532 OE2 GLU A 92 -16.217 -13.043 -8.223 1.00 0.00 O ATOM 0 H GLU A 92 -19.145 -17.761 -7.905 1.00 0.00 H new ATOM 0 HA GLU A 92 -18.776 -16.868 -10.631 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -19.048 -15.339 -8.683 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -17.589 -15.990 -7.962 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -16.208 -15.034 -9.741 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -17.627 -14.529 -10.636 1.00 0.00 H new ATOM 1539 N LYS A 93 -16.809 -18.348 -11.190 1.00 0.00 N ATOM 1540 CA LYS A 93 -15.553 -18.972 -11.645 1.00 0.00 C ATOM 1541 C LYS A 93 -15.089 -18.343 -12.979 1.00 0.00 C ATOM 1542 O LYS A 93 -15.326 -18.899 -14.051 1.00 0.00 O ATOM 1543 CB LYS A 93 -15.750 -20.494 -11.822 1.00 0.00 C ATOM 1544 CG LYS A 93 -15.914 -21.227 -10.483 1.00 0.00 C ATOM 1545 CD LYS A 93 -16.196 -22.721 -10.693 1.00 0.00 C ATOM 1546 CE LYS A 93 -16.228 -23.488 -9.365 1.00 0.00 C ATOM 1547 NZ LYS A 93 -14.888 -23.576 -8.746 1.00 0.00 N ATOM 0 H LYS A 93 -17.579 -18.428 -11.855 1.00 0.00 H new ATOM 0 HA LYS A 93 -14.786 -18.797 -10.890 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -16.629 -20.673 -12.440 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.895 -20.908 -12.356 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -15.009 -21.106 -9.887 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -16.730 -20.777 -9.918 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -17.150 -22.842 -11.205 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -15.430 -23.148 -11.341 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -16.914 -22.994 -8.677 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -16.616 -24.492 -9.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -14.914 -24.252 -7.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -14.199 -23.898 -9.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -14.608 -22.640 -8.391 1.00 0.00 H new ATOM 1561 N PRO A 94 -14.461 -17.146 -12.917 1.00 0.00 N ATOM 1562 CA PRO A 94 -14.055 -16.409 -14.107 1.00 0.00 C ATOM 1563 C PRO A 94 -12.701 -16.878 -14.674 1.00 0.00 C ATOM 1564 O PRO A 94 -12.370 -16.581 -15.821 1.00 0.00 O ATOM 1565 CB PRO A 94 -13.957 -14.960 -13.612 1.00 0.00 C ATOM 1566 CG PRO A 94 -13.497 -15.109 -12.159 1.00 0.00 C ATOM 1567 CD PRO A 94 -14.194 -16.391 -11.701 1.00 0.00 C ATOM 0 HA PRO A 94 -14.760 -16.552 -14.926 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.245 -14.382 -14.201 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -14.917 -14.447 -13.679 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.413 -15.192 -12.087 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.792 -14.252 -11.553 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.562 -16.958 -11.018 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -15.118 -16.166 -11.168 1.00 0.00 H new ATOM 1575 N PHE A 95 -11.907 -17.591 -13.855 1.00 0.00 N ATOM 1576 CA PHE A 95 -10.560 -18.015 -14.270 1.00 0.00 C ATOM 1577 C PHE A 95 -10.624 -19.306 -15.115 1.00 0.00 C ATOM 1578 O PHE A 95 -10.326 -20.395 -14.629 1.00 0.00 O ATOM 1579 CB PHE A 95 -9.673 -18.235 -13.039 1.00 0.00 C ATOM 1580 CG PHE A 95 -9.467 -16.997 -12.200 1.00 0.00 C ATOM 1581 CD1 PHE A 95 -8.531 -16.018 -12.589 1.00 0.00 C ATOM 1582 CD2 PHE A 95 -10.229 -16.816 -11.036 1.00 0.00 C ATOM 1583 CE1 PHE A 95 -8.348 -14.865 -11.804 1.00 0.00 C ATOM 1584 CE2 PHE A 95 -10.059 -15.653 -10.261 1.00 0.00 C ATOM 1585 CZ PHE A 95 -9.118 -14.679 -10.642 1.00 0.00 C ATOM 0 H PHE A 95 -12.171 -17.882 -12.914 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.128 -17.225 -14.884 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -10.118 -19.012 -12.418 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.701 -18.606 -13.366 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.953 -16.153 -13.491 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.944 -17.567 -10.735 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.617 -14.124 -12.093 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -10.653 -15.508 -9.371 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.987 -13.790 -10.043 1.00 0.00 H new ATOM 1595 N SER A 96 -11.006 -19.161 -16.388 1.00 0.00 N ATOM 1596 CA SER A 96 -11.059 -20.293 -17.327 1.00 0.00 C ATOM 1597 C SER A 96 -9.659 -20.640 -17.848 1.00 0.00 C ATOM 1598 O SER A 96 -8.856 -19.748 -18.132 1.00 0.00 O ATOM 1599 CB SER A 96 -11.966 -19.943 -18.511 1.00 0.00 C ATOM 1600 OG SER A 96 -11.502 -18.772 -19.158 1.00 0.00 O ATOM 0 H SER A 96 -11.285 -18.268 -16.796 1.00 0.00 H new ATOM 0 HA SER A 96 -11.459 -21.157 -16.796 1.00 0.00 H new ATOM 0 HB2 SER A 96 -11.988 -20.772 -19.218 1.00 0.00 H new ATOM 0 HB3 SER A 96 -12.988 -19.793 -18.163 1.00 0.00 H new ATOM 0 HG SER A 96 -12.090 -18.561 -19.913 1.00 0.00 H new ATOM 1606 N CYS A 97 -9.407 -21.936 -18.046 1.00 0.00 N ATOM 1607 CA CYS A 97 -8.148 -22.400 -18.624 1.00 0.00 C ATOM 1608 C CYS A 97 -8.057 -22.038 -20.114 1.00 0.00 C ATOM 1609 O CYS A 97 -9.063 -21.714 -20.756 1.00 0.00 O ATOM 1610 CB CYS A 97 -8.020 -23.912 -18.447 1.00 0.00 C ATOM 1611 SG CYS A 97 -6.347 -24.514 -18.770 1.00 0.00 S ATOM 0 H CYS A 97 -10.061 -22.683 -17.813 1.00 0.00 H new ATOM 0 HA CYS A 97 -7.330 -21.903 -18.102 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -8.308 -24.180 -17.431 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -8.718 -24.412 -19.119 1.00 0.00 H new ATOM 0 HG CYS A 97 -5.588 -24.255 -17.747 1.00 0.00 H new ATOM 1616 N ARG A 98 -6.828 -22.057 -20.640 1.00 0.00 N ATOM 1617 CA ARG A 98 -6.556 -21.693 -22.038 1.00 0.00 C ATOM 1618 C ARG A 98 -5.837 -22.845 -22.777 1.00 0.00 C ATOM 1619 O ARG A 98 -5.391 -22.678 -23.913 1.00 0.00 O ATOM 1620 CB ARG A 98 -5.682 -20.418 -22.080 1.00 0.00 C ATOM 1621 CG ARG A 98 -6.465 -19.095 -22.114 1.00 0.00 C ATOM 1622 CD ARG A 98 -7.200 -18.713 -20.823 1.00 0.00 C ATOM 1623 NE ARG A 98 -7.701 -17.330 -20.920 1.00 0.00 N ATOM 1624 CZ ARG A 98 -8.314 -16.620 -19.979 1.00 0.00 C ATOM 1625 NH1 ARG A 98 -8.606 -17.095 -18.789 1.00 0.00 N ATOM 1626 NH2 ARG A 98 -8.659 -15.378 -20.225 1.00 0.00 N ATOM 0 H ARG A 98 -5.996 -22.323 -20.113 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.505 -21.504 -22.539 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -5.029 -20.414 -21.207 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.039 -20.465 -22.959 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.772 -18.292 -22.364 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.195 -19.149 -22.921 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.030 -19.398 -20.651 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.527 -18.806 -19.970 1.00 0.00 H new ATOM 0 HE ARG A 98 -7.560 -16.863 -21.816 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -8.361 -18.055 -18.549 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -9.078 -16.503 -18.105 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -8.456 -14.963 -21.134 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -9.130 -14.828 -19.507 1.00 0.00 H new ATOM 1640 N TRP A 99 -5.713 -24.003 -22.114 1.00 0.00 N ATOM 1641 CA TRP A 99 -5.013 -25.155 -22.686 1.00 0.00 C ATOM 1642 C TRP A 99 -5.798 -25.742 -23.888 1.00 0.00 C ATOM 1643 O TRP A 99 -7.005 -25.516 -24.027 1.00 0.00 O ATOM 1644 CB TRP A 99 -4.825 -26.232 -21.611 1.00 0.00 C ATOM 1645 CG TRP A 99 -3.586 -26.048 -20.781 1.00 0.00 C ATOM 1646 CD1 TRP A 99 -3.339 -24.991 -19.978 1.00 0.00 C ATOM 1647 CD2 TRP A 99 -2.410 -26.909 -20.672 1.00 0.00 C ATOM 1648 NE1 TRP A 99 -2.124 -25.151 -19.345 1.00 0.00 N ATOM 1649 CE2 TRP A 99 -1.505 -26.315 -19.741 1.00 0.00 C ATOM 1650 CE3 TRP A 99 -2.011 -28.132 -21.256 1.00 0.00 C ATOM 1651 CZ2 TRP A 99 -0.266 -26.893 -19.417 1.00 0.00 C ATOM 1652 CZ3 TRP A 99 -0.772 -28.724 -20.938 1.00 0.00 C ATOM 1653 CH2 TRP A 99 0.101 -28.106 -20.024 1.00 0.00 C ATOM 0 H TRP A 99 -6.090 -24.164 -21.180 1.00 0.00 H new ATOM 0 HA TRP A 99 -4.039 -24.822 -23.044 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -5.695 -26.233 -20.954 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -4.788 -27.210 -22.092 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -3.997 -24.144 -19.850 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -1.735 -24.492 -18.671 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -2.668 -28.623 -21.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 0.395 -26.412 -18.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -0.491 -29.659 -21.399 1.00 0.00 H new ATOM 0 HH2 TRP A 99 1.051 -28.563 -19.789 1.00 0.00 H new ATOM 1664 N PRO A 100 -5.100 -26.493 -24.776 1.00 0.00 N ATOM 1665 CA PRO A 100 -5.701 -27.061 -25.984 1.00 0.00 C ATOM 1666 C PRO A 100 -6.998 -27.838 -25.697 1.00 0.00 C ATOM 1667 O PRO A 100 -6.974 -28.898 -25.072 1.00 0.00 O ATOM 1668 CB PRO A 100 -4.609 -27.999 -26.528 1.00 0.00 C ATOM 1669 CG PRO A 100 -3.309 -27.340 -26.074 1.00 0.00 C ATOM 1670 CD PRO A 100 -3.673 -26.784 -24.700 1.00 0.00 C ATOM 0 HA PRO A 100 -5.998 -26.284 -26.688 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -4.709 -29.007 -26.125 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -4.658 -28.083 -27.614 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.491 -28.058 -26.016 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.994 -26.552 -26.759 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -3.459 -27.507 -23.913 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -3.099 -25.886 -24.473 1.00 0.00 H new ATOM 1678 N SER A 101 -8.126 -27.308 -26.201 1.00 0.00 N ATOM 1679 CA SER A 101 -9.442 -27.975 -26.095 1.00 0.00 C ATOM 1680 C SER A 101 -9.872 -28.173 -24.614 1.00 0.00 C ATOM 1681 O SER A 101 -10.666 -29.075 -24.311 1.00 0.00 O ATOM 1682 CB SER A 101 -9.402 -29.338 -26.816 1.00 0.00 C ATOM 1683 OG SER A 101 -10.694 -29.901 -26.799 1.00 0.00 O ATOM 0 H SER A 101 -8.155 -26.413 -26.690 1.00 0.00 H new ATOM 0 HA SER A 101 -10.179 -27.329 -26.572 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.059 -29.211 -27.843 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.694 -30.004 -26.324 1.00 0.00 H new ATOM 0 HG SER A 101 -11.089 -29.786 -25.910 1.00 0.00 H new ATOM 1689 N CYS A 102 -9.397 -27.289 -23.720 1.00 0.00 N ATOM 1690 CA CYS A 102 -9.852 -27.282 -22.325 1.00 0.00 C ATOM 1691 C CYS A 102 -11.222 -26.563 -22.197 1.00 0.00 C ATOM 1692 O CYS A 102 -11.718 -25.960 -23.153 1.00 0.00 O ATOM 1693 CB CYS A 102 -8.808 -26.584 -21.435 1.00 0.00 C ATOM 1694 SG CYS A 102 -9.251 -26.786 -19.680 1.00 0.00 S ATOM 0 H CYS A 102 -8.702 -26.575 -23.940 1.00 0.00 H new ATOM 0 HA CYS A 102 -9.972 -28.314 -21.997 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -7.820 -27.006 -21.620 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -8.754 -25.525 -21.686 1.00 0.00 H new ATOM 0 HG CYS A 102 -8.251 -27.314 -19.038 1.00 0.00 H new ATOM 1699 N GLN A 103 -11.817 -26.657 -21.006 1.00 0.00 N ATOM 1700 CA GLN A 103 -13.112 -26.033 -20.716 1.00 0.00 C ATOM 1701 C GLN A 103 -13.331 -25.914 -19.189 1.00 0.00 C ATOM 1702 O GLN A 103 -14.470 -25.870 -18.719 1.00 0.00 O ATOM 1703 CB GLN A 103 -14.257 -26.870 -21.346 1.00 0.00 C ATOM 1704 CG GLN A 103 -14.354 -28.355 -20.923 1.00 0.00 C ATOM 1705 CD GLN A 103 -13.207 -29.219 -21.449 1.00 0.00 C ATOM 1706 OE1 GLN A 103 -12.535 -29.919 -20.704 1.00 0.00 O ATOM 1707 NE2 GLN A 103 -12.954 -29.178 -22.742 1.00 0.00 N ATOM 0 H GLN A 103 -11.417 -27.166 -20.217 1.00 0.00 H new ATOM 0 HA GLN A 103 -13.116 -25.032 -21.148 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -15.203 -26.386 -21.104 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -14.148 -26.833 -22.430 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -14.372 -28.413 -19.835 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -15.299 -28.764 -21.280 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -13.521 -28.591 -23.354 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -12.192 -29.733 -23.130 1.00 0.00 H new ATOM 1716 N LYS A 104 -12.225 -25.886 -18.421 1.00 0.00 N ATOM 1717 CA LYS A 104 -12.295 -25.850 -16.955 1.00 0.00 C ATOM 1718 C LYS A 104 -12.188 -24.414 -16.449 1.00 0.00 C ATOM 1719 O LYS A 104 -11.432 -23.609 -16.996 1.00 0.00 O ATOM 1720 CB LYS A 104 -11.159 -26.707 -16.353 1.00 0.00 C ATOM 1721 CG LYS A 104 -11.497 -28.212 -16.294 1.00 0.00 C ATOM 1722 CD LYS A 104 -11.420 -28.988 -17.623 1.00 0.00 C ATOM 1723 CE LYS A 104 -9.987 -29.394 -17.977 1.00 0.00 C ATOM 1724 NZ LYS A 104 -9.880 -29.818 -19.385 1.00 0.00 N ATOM 0 H LYS A 104 -11.276 -25.888 -18.795 1.00 0.00 H new ATOM 0 HA LYS A 104 -13.256 -26.258 -16.642 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.255 -26.567 -16.945 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.939 -26.351 -15.347 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.820 -28.686 -15.583 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.505 -28.320 -15.894 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -12.042 -29.881 -17.556 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.829 -28.373 -18.424 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -9.314 -28.556 -17.796 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -9.666 -30.207 -17.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -9.275 -30.661 -19.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -10.827 -30.043 -19.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -9.463 -29.049 -19.948 1.00 0.00 H new ATOM 1738 N LYS A 105 -12.975 -24.089 -15.413 1.00 0.00 N ATOM 1739 CA LYS A 105 -13.003 -22.735 -14.844 1.00 0.00 C ATOM 1740 C LYS A 105 -12.804 -22.775 -13.337 1.00 0.00 C ATOM 1741 O LYS A 105 -13.261 -23.700 -12.665 1.00 0.00 O ATOM 1742 CB LYS A 105 -14.343 -22.051 -15.171 1.00 0.00 C ATOM 1743 CG LYS A 105 -14.625 -21.854 -16.670 1.00 0.00 C ATOM 1744 CD LYS A 105 -15.510 -22.954 -17.267 1.00 0.00 C ATOM 1745 CE LYS A 105 -15.652 -22.743 -18.776 1.00 0.00 C ATOM 1746 NZ LYS A 105 -16.440 -23.828 -19.391 1.00 0.00 N ATOM 0 H LYS A 105 -13.602 -24.748 -14.951 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.187 -22.164 -15.287 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -15.150 -22.643 -14.740 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.365 -21.077 -14.682 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -15.107 -20.888 -16.819 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -13.679 -21.824 -17.210 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -15.074 -23.933 -17.067 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -16.492 -22.940 -16.795 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -16.134 -21.785 -18.969 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.664 -22.701 -19.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.565 -23.635 -20.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.940 -24.732 -19.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -17.372 -23.883 -18.932 1.00 0.00 H new ATOM 1760 N PHE A 106 -12.143 -21.743 -12.810 1.00 0.00 N ATOM 1761 CA PHE A 106 -11.855 -21.648 -11.374 1.00 0.00 C ATOM 1762 C PHE A 106 -12.280 -20.300 -10.824 1.00 0.00 C ATOM 1763 O PHE A 106 -12.494 -19.349 -11.577 1.00 0.00 O ATOM 1764 CB PHE A 106 -10.354 -21.857 -11.131 1.00 0.00 C ATOM 1765 CG PHE A 106 -9.926 -23.212 -11.638 1.00 0.00 C ATOM 1766 CD1 PHE A 106 -10.182 -24.359 -10.865 1.00 0.00 C ATOM 1767 CD2 PHE A 106 -9.472 -23.339 -12.962 1.00 0.00 C ATOM 1768 CE1 PHE A 106 -10.025 -25.630 -11.438 1.00 0.00 C ATOM 1769 CE2 PHE A 106 -9.344 -24.609 -13.545 1.00 0.00 C ATOM 1770 CZ PHE A 106 -9.641 -25.754 -12.784 1.00 0.00 C ATOM 0 H PHE A 106 -11.795 -20.956 -13.358 1.00 0.00 H new ATOM 0 HA PHE A 106 -12.421 -22.424 -10.858 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.785 -21.076 -11.635 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.136 -21.774 -10.066 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.497 -24.262 -9.837 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.221 -22.457 -13.532 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -10.200 -26.515 -10.844 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -9.020 -24.707 -14.571 1.00 0.00 H new ATOM 0 HZ PHE A 106 -9.574 -26.733 -13.236 1.00 0.00 H new ATOM 1780 N ALA A 107 -12.400 -20.220 -9.497 1.00 0.00 N ATOM 1781 CA ALA A 107 -12.839 -19.002 -8.834 1.00 0.00 C ATOM 1782 C ALA A 107 -11.647 -18.230 -8.250 1.00 0.00 C ATOM 1783 O ALA A 107 -11.815 -17.138 -7.710 1.00 0.00 O ATOM 1784 CB ALA A 107 -13.829 -19.363 -7.716 1.00 0.00 C ATOM 0 H ALA A 107 -12.197 -20.992 -8.862 1.00 0.00 H new ATOM 0 HA ALA A 107 -13.327 -18.361 -9.568 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.161 -18.453 -7.216 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.690 -19.876 -8.144 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.340 -20.016 -6.993 1.00 0.00 H new ATOM 1790 N ARG A 108 -10.438 -18.791 -8.399 1.00 0.00 N ATOM 1791 CA ARG A 108 -9.220 -18.128 -7.953 1.00 0.00 C ATOM 1792 C ARG A 108 -8.136 -18.211 -9.028 1.00 0.00 C ATOM 1793 O ARG A 108 -7.976 -19.242 -9.697 1.00 0.00 O ATOM 1794 CB ARG A 108 -8.716 -18.771 -6.660 1.00 0.00 C ATOM 1795 CG ARG A 108 -9.656 -18.651 -5.451 1.00 0.00 C ATOM 1796 CD ARG A 108 -9.423 -19.753 -4.411 1.00 0.00 C ATOM 1797 NE ARG A 108 -8.003 -19.913 -4.061 1.00 0.00 N ATOM 1798 CZ ARG A 108 -7.526 -20.405 -2.928 1.00 0.00 C ATOM 1799 NH1 ARG A 108 -8.310 -20.641 -1.905 1.00 0.00 N ATOM 1800 NH2 ARG A 108 -6.251 -20.667 -2.846 1.00 0.00 N ATOM 0 H ARG A 108 -10.285 -19.704 -8.827 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.448 -17.078 -7.768 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -8.529 -19.828 -6.849 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.758 -18.320 -6.400 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.515 -17.678 -4.981 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.690 -18.693 -5.794 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.991 -19.522 -3.510 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.807 -20.698 -4.797 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.320 -19.616 -4.758 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.309 -20.445 -1.972 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.921 -21.020 -1.042 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.642 -20.492 -3.645 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -5.863 -21.046 -1.982 1.00 0.00 H new ATOM 1814 N SER A 109 -7.372 -17.132 -9.161 1.00 0.00 N ATOM 1815 CA SER A 109 -6.282 -17.066 -10.124 1.00 0.00 C ATOM 1816 C SER A 109 -5.271 -18.191 -9.875 1.00 0.00 C ATOM 1817 O SER A 109 -4.861 -18.879 -10.803 1.00 0.00 O ATOM 1818 CB SER A 109 -5.579 -15.701 -10.020 1.00 0.00 C ATOM 1819 OG SER A 109 -5.325 -15.370 -8.666 1.00 0.00 O ATOM 0 H SER A 109 -7.491 -16.284 -8.607 1.00 0.00 H new ATOM 0 HA SER A 109 -6.695 -17.187 -11.125 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.641 -15.726 -10.575 1.00 0.00 H new ATOM 0 HB3 SER A 109 -6.200 -14.931 -10.477 1.00 0.00 H new ATOM 0 HG SER A 109 -4.876 -14.500 -8.621 1.00 0.00 H new ATOM 1825 N ASP A 110 -4.909 -18.399 -8.604 1.00 0.00 N ATOM 1826 CA ASP A 110 -3.969 -19.454 -8.229 1.00 0.00 C ATOM 1827 C ASP A 110 -4.567 -20.866 -8.466 1.00 0.00 C ATOM 1828 O ASP A 110 -3.841 -21.791 -8.791 1.00 0.00 O ATOM 1829 CB ASP A 110 -3.548 -19.296 -6.769 1.00 0.00 C ATOM 1830 CG ASP A 110 -4.582 -19.721 -5.736 1.00 0.00 C ATOM 1831 OD1 ASP A 110 -5.740 -19.272 -5.840 1.00 0.00 O ATOM 1832 OD2 ASP A 110 -4.193 -20.463 -4.808 1.00 0.00 O ATOM 0 H ASP A 110 -5.255 -17.848 -7.819 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.091 -19.355 -8.867 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.639 -19.876 -6.607 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.294 -18.250 -6.594 1.00 0.00 H new ATOM 1837 N GLU A 111 -5.896 -21.022 -8.281 1.00 0.00 N ATOM 1838 CA GLU A 111 -6.570 -22.307 -8.596 1.00 0.00 C ATOM 1839 C GLU A 111 -6.407 -22.640 -10.079 1.00 0.00 C ATOM 1840 O GLU A 111 -6.165 -23.793 -10.437 1.00 0.00 O ATOM 1841 CB GLU A 111 -8.071 -22.245 -8.249 1.00 0.00 C ATOM 1842 CG GLU A 111 -8.417 -22.664 -6.813 1.00 0.00 C ATOM 1843 CD GLU A 111 -9.938 -22.746 -6.554 1.00 0.00 C ATOM 1844 OE1 GLU A 111 -10.705 -22.086 -7.301 1.00 0.00 O ATOM 1845 OE2 GLU A 111 -10.314 -23.436 -5.580 1.00 0.00 O ATOM 0 H GLU A 111 -6.514 -20.294 -7.923 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.103 -23.085 -7.993 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.425 -21.227 -8.411 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.617 -22.886 -8.941 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -7.967 -23.635 -6.606 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.974 -21.952 -6.117 1.00 0.00 H new ATOM 1852 N LEU A 112 -6.480 -21.614 -10.938 1.00 0.00 N ATOM 1853 CA LEU A 112 -6.216 -21.795 -12.365 1.00 0.00 C ATOM 1854 C LEU A 112 -4.723 -22.137 -12.610 1.00 0.00 C ATOM 1855 O LEU A 112 -4.410 -23.054 -13.368 1.00 0.00 O ATOM 1856 CB LEU A 112 -6.607 -20.531 -13.143 1.00 0.00 C ATOM 1857 CG LEU A 112 -6.291 -20.650 -14.645 1.00 0.00 C ATOM 1858 CD1 LEU A 112 -7.002 -21.843 -15.286 1.00 0.00 C ATOM 1859 CD2 LEU A 112 -6.692 -19.381 -15.400 1.00 0.00 C ATOM 0 H LEU A 112 -6.718 -20.659 -10.669 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.821 -22.629 -12.722 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.672 -20.341 -13.012 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.077 -19.673 -12.729 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.213 -20.796 -14.718 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.751 -21.889 -16.346 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.682 -22.763 -14.797 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.080 -21.728 -15.173 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.456 -19.497 -16.458 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.762 -19.211 -15.284 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.144 -18.529 -14.997 1.00 0.00 H new ATOM 1871 N VAL A 113 -3.812 -21.429 -11.917 1.00 0.00 N ATOM 1872 CA VAL A 113 -2.364 -21.742 -11.992 1.00 0.00 C ATOM 1873 C VAL A 113 -2.113 -23.198 -11.561 1.00 0.00 C ATOM 1874 O VAL A 113 -1.345 -23.921 -12.196 1.00 0.00 O ATOM 1875 CB VAL A 113 -1.556 -20.783 -11.076 1.00 0.00 C ATOM 1876 CG1 VAL A 113 -0.063 -21.145 -11.027 1.00 0.00 C ATOM 1877 CG2 VAL A 113 -1.636 -19.312 -11.499 1.00 0.00 C ATOM 0 H VAL A 113 -4.043 -20.646 -11.306 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.036 -21.610 -13.023 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.023 -20.908 -10.099 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.460 -20.446 -10.374 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.053 -22.158 -10.642 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.358 -21.088 -12.031 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -1.047 -18.703 -10.812 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.243 -19.202 -12.510 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -2.675 -18.983 -11.476 1.00 0.00 H new ATOM 1887 N ARG A 114 -2.807 -23.622 -10.500 1.00 0.00 N ATOM 1888 CA ARG A 114 -2.723 -24.999 -10.012 1.00 0.00 C ATOM 1889 C ARG A 114 -3.231 -25.976 -11.078 1.00 0.00 C ATOM 1890 O ARG A 114 -2.522 -26.906 -11.454 1.00 0.00 O ATOM 1891 CB ARG A 114 -3.562 -25.139 -8.723 1.00 0.00 C ATOM 1892 CG ARG A 114 -3.825 -26.548 -8.175 1.00 0.00 C ATOM 1893 CD ARG A 114 -2.597 -27.165 -7.497 1.00 0.00 C ATOM 1894 NE ARG A 114 -2.929 -27.648 -6.151 1.00 0.00 N ATOM 1895 CZ ARG A 114 -2.897 -26.972 -5.007 1.00 0.00 C ATOM 1896 NH1 ARG A 114 -2.522 -25.717 -4.895 1.00 0.00 N ATOM 1897 NH2 ARG A 114 -3.238 -27.602 -3.921 1.00 0.00 N ATOM 0 H ARG A 114 -3.436 -23.026 -9.961 1.00 0.00 H new ATOM 0 HA ARG A 114 -1.682 -25.237 -9.795 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -3.067 -24.565 -7.940 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -4.528 -24.666 -8.902 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -4.646 -26.506 -7.459 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -4.146 -27.195 -8.991 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -2.219 -27.990 -8.101 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -1.800 -26.424 -7.436 1.00 0.00 H new ATOM 0 HE ARG A 114 -3.220 -28.623 -6.086 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -2.229 -25.196 -5.722 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -2.524 -25.264 -3.981 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -3.518 -28.582 -3.966 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -3.226 -27.116 -3.024 1.00 0.00 H new ATOM 1911 N HIS A 115 -4.396 -25.664 -11.671 1.00 0.00 N ATOM 1912 CA HIS A 115 -4.970 -26.494 -12.740 1.00 0.00 C ATOM 1913 C HIS A 115 -3.974 -26.670 -13.884 1.00 0.00 C ATOM 1914 O HIS A 115 -3.692 -27.792 -14.296 1.00 0.00 O ATOM 1915 CB HIS A 115 -6.258 -25.855 -13.272 1.00 0.00 C ATOM 1916 CG HIS A 115 -6.837 -26.599 -14.453 1.00 0.00 C ATOM 1917 ND1 HIS A 115 -7.444 -27.834 -14.404 1.00 0.00 N ATOM 1918 CD2 HIS A 115 -6.822 -26.198 -15.767 1.00 0.00 C ATOM 1919 CE1 HIS A 115 -7.795 -28.156 -15.659 1.00 0.00 C ATOM 1920 NE2 HIS A 115 -7.453 -27.184 -16.515 1.00 0.00 N ATOM 0 H HIS A 115 -4.955 -24.846 -11.428 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.199 -27.474 -12.322 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -6.998 -25.820 -12.472 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -6.054 -24.824 -13.562 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -7.598 -28.399 -13.569 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -6.397 -25.282 -16.149 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -8.287 -29.075 -15.941 1.00 0.00 H new ATOM 1928 N HIS A 116 -3.391 -25.559 -14.345 1.00 0.00 N ATOM 1929 CA HIS A 116 -2.387 -25.597 -15.403 1.00 0.00 C ATOM 1930 C HIS A 116 -1.202 -26.517 -15.010 1.00 0.00 C ATOM 1931 O HIS A 116 -0.727 -27.304 -15.826 1.00 0.00 O ATOM 1932 CB HIS A 116 -1.868 -24.179 -15.688 1.00 0.00 C ATOM 1933 CG HIS A 116 -2.830 -23.191 -16.316 1.00 0.00 C ATOM 1934 ND1 HIS A 116 -3.928 -23.436 -17.124 1.00 0.00 N ATOM 1935 CD2 HIS A 116 -2.653 -21.833 -16.285 1.00 0.00 C ATOM 1936 CE1 HIS A 116 -4.377 -22.250 -17.569 1.00 0.00 C ATOM 1937 NE2 HIS A 116 -3.633 -21.244 -17.086 1.00 0.00 N ATOM 0 H HIS A 116 -3.600 -24.623 -13.999 1.00 0.00 H new ATOM 0 HA HIS A 116 -2.855 -26.000 -16.301 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -1.518 -23.754 -14.747 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -1.000 -24.264 -16.342 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -1.886 -21.308 -15.735 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -5.224 -22.124 -18.227 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -3.758 -20.248 -17.268 1.00 0.00 H new ATOM 1945 N ASN A 117 -0.790 -26.465 -13.728 1.00 0.00 N ATOM 1946 CA ASN A 117 0.348 -27.270 -13.248 1.00 0.00 C ATOM 1947 C ASN A 117 -0.028 -28.766 -13.148 1.00 0.00 C ATOM 1948 O ASN A 117 0.847 -29.626 -13.089 1.00 0.00 O ATOM 1949 CB ASN A 117 0.813 -26.756 -11.871 1.00 0.00 C ATOM 1950 CG ASN A 117 1.812 -25.616 -12.009 1.00 0.00 C ATOM 1951 OD1 ASN A 117 3.015 -25.813 -11.987 1.00 0.00 O ATOM 1952 ND2 ASN A 117 1.353 -24.395 -12.173 1.00 0.00 N ATOM 0 H ASN A 117 -1.224 -25.880 -13.014 1.00 0.00 H new ATOM 0 HA ASN A 117 1.160 -27.169 -13.968 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -0.050 -26.417 -11.298 1.00 0.00 H new ATOM 0 HB3 ASN A 117 1.267 -27.573 -11.311 1.00 0.00 H new ATOM 0 HD21 ASN A 117 2.003 -23.616 -12.281 1.00 0.00 H new ATOM 0 HD22 ASN A 117 0.347 -24.227 -12.192 1.00 0.00 H new ATOM 1959 N MET A 118 -1.336 -29.060 -13.180 1.00 0.00 N ATOM 1960 CA MET A 118 -1.828 -30.441 -13.174 1.00 0.00 C ATOM 1961 C MET A 118 -2.303 -30.866 -14.585 1.00 0.00 C ATOM 1962 O MET A 118 -2.767 -31.989 -14.775 1.00 0.00 O ATOM 1963 CB MET A 118 -2.995 -30.574 -12.175 1.00 0.00 C ATOM 1964 CG MET A 118 -2.567 -30.305 -10.725 1.00 0.00 C ATOM 1965 SD MET A 118 -3.908 -30.364 -9.498 1.00 0.00 S ATOM 1966 CE MET A 118 -4.291 -32.136 -9.499 1.00 0.00 C ATOM 0 H MET A 118 -2.073 -28.355 -13.210 1.00 0.00 H new ATOM 0 HA MET A 118 -1.009 -31.095 -12.873 1.00 0.00 H new ATOM 0 HB2 MET A 118 -3.786 -29.877 -12.451 1.00 0.00 H new ATOM 0 HB3 MET A 118 -3.416 -31.577 -12.245 1.00 0.00 H new ATOM 0 HG2 MET A 118 -1.808 -31.036 -10.446 1.00 0.00 H new ATOM 0 HG3 MET A 118 -2.096 -29.323 -10.678 1.00 0.00 H new ATOM 0 HE1 MET A 118 -5.035 -32.348 -8.731 1.00 0.00 H new ATOM 0 HE2 MET A 118 -4.684 -32.423 -10.474 1.00 0.00 H new ATOM 0 HE3 MET A 118 -3.384 -32.704 -9.292 1.00 0.00 H new ATOM 1976 N HIS A 119 -2.233 -29.936 -15.555 1.00 0.00 N ATOM 1977 CA HIS A 119 -2.819 -30.158 -16.875 1.00 0.00 C ATOM 1978 C HIS A 119 -2.036 -31.220 -17.655 1.00 0.00 C ATOM 1979 O HIS A 119 -2.435 -31.616 -18.755 1.00 0.00 O ATOM 1980 CB HIS A 119 -2.835 -28.845 -17.661 1.00 0.00 C ATOM 1981 CG HIS A 119 -4.065 -28.713 -18.506 1.00 0.00 C ATOM 1982 ND1 HIS A 119 -4.504 -29.617 -19.443 1.00 0.00 N ATOM 1983 CD2 HIS A 119 -5.031 -27.763 -18.346 1.00 0.00 C ATOM 1984 CE1 HIS A 119 -5.732 -29.220 -19.822 1.00 0.00 C ATOM 1985 NE2 HIS A 119 -6.101 -28.121 -19.161 1.00 0.00 N ATOM 0 H HIS A 119 -1.777 -29.030 -15.443 1.00 0.00 H new ATOM 0 HA HIS A 119 -3.839 -30.517 -16.740 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.780 -28.006 -16.967 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -1.951 -28.792 -18.296 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -3.996 -30.433 -19.785 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -4.976 -26.895 -17.706 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -6.338 -29.723 -20.561 1.00 0.00 H new