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 19:sc= -1.35 USER MOD Set 1.2: A 102 CYS SG : rot 175:sc= 1.13 USER MOD Set 1.3: A 104 LYS NZ :NH3+ -138:sc= 1.4 (180deg=0) USER MOD Set 1.4: A 115 HIS : no HE2:sc= -2.11 K(o=-2.3,f=-7.5) USER MOD Set 1.5: A 116 HIS :FLIP no HE2:sc= -0.38 F(o=-4,f=-2.3) USER MOD Set 1.6: A 119 HIS : no HE2:sc= -1.03 K(o=-2.3,f=-5.8) USER MOD Set 2.1: A 68 GLN : amide:sc= 0.535 K(o=2.9,f=-0.93!) USER MOD Set 2.2: A 73 GLN : amide:sc= 2.32 K(o=2.9,f=-1.5) USER MOD Set 2.3: A 75 LYS NZ :NH3+ -116:sc= 0.0462 (180deg=-0.069) USER MOD Set 3.1: A 69 CYS SG : rot 163:sc= 1.27! USER MOD Set 3.2: A 70 LYS NZ :NH3+ 141:sc= 0.861 (180deg=-0.101) USER MOD Set 3.3: A 71 THR OG1 : rot 59:sc= 1.83 USER MOD Set 3.4: A 72 CYS SG : rot -160:sc= 0.648 USER MOD Set 3.5: A 85 HIS : no HE2:sc= -1.07 K(o=3.1,f=-1.9) USER MOD Set 3.6: A 89 HIS : no HD1:sc= -0.397 K(o=3.1,f=-4.5!) USER MOD Set 4.1: A 39 CYS SG : rot 45:sc= 1.26 USER MOD Set 4.2: A 57 HIS : no HD1:sc= -2.46! C(o=-0.59!,f=-0.64!) USER MOD Set 4.3: A 58 GLN :FLIP amide:sc= 0.607 F(o=-1.2,f=-0.59) USER MOD Set 4.4: A 61 HIS : no HE2:sc= 0 X(o=-0.59,f=-0.61) USER MOD Set 5.1: A 49 SER OG : rot 180:sc= 0.201 USER MOD Set 5.2: A 53 GLN : amide:sc= -0.533 K(o=-0.33,f=-6.8!) USER MOD Set 6.1: A 37 TYR OH : rot 130:sc= 0.856 USER MOD Set 6.2: A 51 SER OG : rot -63:sc= 2.11 USER MOD Set 7.1: A 9 CYS SG : rot -140:sc= 0.896! USER MOD Set 7.2: A 14 CYS SG : rot 62:sc= 0.553! USER MOD Set 7.3: A 18 TYR OH : rot -6:sc= 1.02 USER MOD Set 7.4: A 27 HIS : no HD1:sc= -4.46 K(o=-6.4,f=-10!) USER MOD Set 7.5: A 31 HIS : no HD1:sc= -4.42 K(o=-6.4,f=-10!) USER MOD Single : A 8 MET CE :methyl 167:sc=-0.000624 (180deg=-0.206) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 1.25 K(o=1.3,f=-0.078) USER MOD Single : A 16 LYS NZ :NH3+ 167:sc= 0.0757 (180deg=0.015) USER MOD Single : A 20 LYS NZ :NH3+ 145:sc= 0.367 (180deg=0.0129) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= -2.81 K(o=-2.8,f=-5.9!) USER MOD Single : A 25 GLN : amide:sc= 0.996 K(o=1,f=-0.16) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -82:sc= 2.07 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -84:sc= 1.13 USER MOD Single : A 38 GLN : amide:sc= -0.341 X(o=-0.34,f=-0.39) USER MOD Single : A 55 LYS NZ :NH3+ 142:sc= -0.111 (180deg=-1.02) USER MOD Single : A 62 THR OG1 : rot -78:sc= 0.506 USER MOD Single : A 65 LYS NZ :NH3+ -179:sc= 0.65 (180deg=0.649) USER MOD Single : A 77 SER OG : rot 180:sc= 0.00523 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 79:sc= 1.21 USER MOD Single : A 86 THR OG1 : rot 49:sc= 1.24 USER MOD Single : A 88 THR OG1 : rot 106:sc= 1.26 USER MOD Single : A 90 THR OG1 : rot 71:sc= 1.03 USER MOD Single : A 93 LYS NZ :NH3+ 169:sc= 0.279 (180deg=0.231) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0.971 K(o=0.97,f=-0.14) USER MOD Single : A 105 LYS NZ :NH3+ -175:sc= 0.424 (180deg=0.36) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0.947 K(o=0.95,f=-0.054) USER MOD Single : A 118 MET CE :methyl -167:sc= -0.128 (180deg=-0.494) USER MOD ----------------------------------------------------------------- ATOM 97 N PHE A 7 8.805 20.118 -6.038 1.00 0.00 N ATOM 98 CA PHE A 7 8.237 19.231 -5.021 1.00 0.00 C ATOM 99 C PHE A 7 9.298 18.224 -4.557 1.00 0.00 C ATOM 100 O PHE A 7 10.322 18.063 -5.205 1.00 0.00 O ATOM 101 CB PHE A 7 7.021 18.493 -5.593 1.00 0.00 C ATOM 102 CG PHE A 7 5.933 19.419 -6.107 1.00 0.00 C ATOM 103 CD1 PHE A 7 5.036 20.018 -5.204 1.00 0.00 C ATOM 104 CD2 PHE A 7 5.854 19.731 -7.478 1.00 0.00 C ATOM 105 CE1 PHE A 7 4.081 20.942 -5.666 1.00 0.00 C ATOM 106 CE2 PHE A 7 4.899 20.655 -7.940 1.00 0.00 C ATOM 107 CZ PHE A 7 4.021 21.270 -7.031 1.00 0.00 C ATOM 0 HA PHE A 7 7.917 19.826 -4.165 1.00 0.00 H new ATOM 0 HB2 PHE A 7 7.349 17.846 -6.406 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.602 17.848 -4.821 1.00 0.00 H new ATOM 0 HD1 PHE A 7 5.081 19.768 -4.154 1.00 0.00 H new ATOM 0 HD2 PHE A 7 6.529 19.259 -8.177 1.00 0.00 H new ATOM 0 HE1 PHE A 7 3.393 21.400 -4.971 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.841 20.892 -8.992 1.00 0.00 H new ATOM 0 HZ PHE A 7 3.301 21.994 -7.381 1.00 0.00 H new ATOM 117 N MET A 8 9.109 17.650 -3.366 1.00 0.00 N ATOM 118 CA MET A 8 10.089 16.700 -2.803 1.00 0.00 C ATOM 119 C MET A 8 9.420 15.491 -2.183 1.00 0.00 C ATOM 120 O MET A 8 8.271 15.552 -1.747 1.00 0.00 O ATOM 121 CB MET A 8 10.951 17.407 -1.742 1.00 0.00 C ATOM 122 CG MET A 8 11.829 18.515 -2.338 1.00 0.00 C ATOM 123 SD MET A 8 13.098 19.174 -1.220 1.00 0.00 S ATOM 124 CE MET A 8 14.231 17.759 -1.143 1.00 0.00 C ATOM 0 H MET A 8 8.297 17.820 -2.773 1.00 0.00 H new ATOM 0 HA MET A 8 10.714 16.351 -3.625 1.00 0.00 H new ATOM 0 HB2 MET A 8 10.302 17.834 -0.978 1.00 0.00 H new ATOM 0 HB3 MET A 8 11.586 16.672 -1.247 1.00 0.00 H new ATOM 0 HG2 MET A 8 12.319 18.128 -3.232 1.00 0.00 H new ATOM 0 HG3 MET A 8 11.186 19.335 -2.657 1.00 0.00 H new ATOM 0 HE1 MET A 8 15.172 18.071 -0.690 1.00 0.00 H new ATOM 0 HE2 MET A 8 13.784 16.967 -0.542 1.00 0.00 H new ATOM 0 HE3 MET A 8 14.419 17.388 -2.151 1.00 0.00 H new ATOM 134 N CYS A 9 10.203 14.415 -2.063 1.00 0.00 N ATOM 135 CA CYS A 9 9.811 13.231 -1.267 1.00 0.00 C ATOM 136 C CYS A 9 10.848 13.020 -0.126 1.00 0.00 C ATOM 137 O CYS A 9 11.915 13.641 -0.127 1.00 0.00 O ATOM 138 CB CYS A 9 9.728 11.975 -2.158 1.00 0.00 C ATOM 139 SG CYS A 9 9.314 10.508 -1.162 1.00 0.00 S ATOM 0 H CYS A 9 11.118 14.332 -2.506 1.00 0.00 H new ATOM 0 HA CYS A 9 8.824 13.400 -0.837 1.00 0.00 H new ATOM 0 HB2 CYS A 9 8.974 12.121 -2.931 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.680 11.819 -2.666 1.00 0.00 H new ATOM 0 HG CYS A 9 10.007 9.490 -1.579 1.00 0.00 H new ATOM 144 N ALA A 10 10.495 12.192 0.863 1.00 0.00 N ATOM 145 CA ALA A 10 11.344 11.979 2.046 1.00 0.00 C ATOM 146 C ALA A 10 11.655 10.475 2.262 1.00 0.00 C ATOM 147 O ALA A 10 12.406 10.119 3.171 1.00 0.00 O ATOM 148 CB ALA A 10 10.644 12.552 3.284 1.00 0.00 C ATOM 0 H ALA A 10 9.627 11.657 0.870 1.00 0.00 H new ATOM 0 HA ALA A 10 12.292 12.492 1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 10 11.271 12.395 4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.475 13.620 3.145 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.688 12.049 3.427 1.00 0.00 H new ATOM 154 N TYR A 11 11.067 9.606 1.429 1.00 0.00 N ATOM 155 CA TYR A 11 11.248 8.159 1.569 1.00 0.00 C ATOM 156 C TYR A 11 12.658 7.728 1.068 1.00 0.00 C ATOM 157 O TYR A 11 13.179 8.288 0.098 1.00 0.00 O ATOM 158 CB TYR A 11 10.170 7.427 0.774 1.00 0.00 C ATOM 159 CG TYR A 11 10.113 5.932 1.022 1.00 0.00 C ATOM 160 CD1 TYR A 11 9.427 5.408 2.136 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.823 5.070 0.172 1.00 0.00 C ATOM 162 CE1 TYR A 11 9.516 4.031 2.432 1.00 0.00 C ATOM 163 CE2 TYR A 11 10.907 3.700 0.453 1.00 0.00 C ATOM 164 CZ TYR A 11 10.291 3.183 1.608 1.00 0.00 C ATOM 165 OH TYR A 11 10.497 1.881 1.938 1.00 0.00 O ATOM 0 H TYR A 11 10.464 9.881 0.654 1.00 0.00 H new ATOM 0 HA TYR A 11 11.163 7.899 2.624 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.200 7.860 1.017 1.00 0.00 H new ATOM 0 HB3 TYR A 11 10.339 7.600 -0.289 1.00 0.00 H new ATOM 0 HD1 TYR A 11 8.834 6.059 2.762 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.309 5.466 -0.707 1.00 0.00 H new ATOM 0 HE1 TYR A 11 8.993 3.626 3.286 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.443 3.042 -0.215 1.00 0.00 H new ATOM 0 HH TYR A 11 11.053 1.454 1.253 1.00 0.00 H new ATOM 175 N PRO A 12 13.286 6.725 1.735 1.00 0.00 N ATOM 176 CA PRO A 12 14.609 6.228 1.355 1.00 0.00 C ATOM 177 C PRO A 12 14.699 5.842 -0.135 1.00 0.00 C ATOM 178 O PRO A 12 13.760 5.293 -0.702 1.00 0.00 O ATOM 179 CB PRO A 12 14.804 4.993 2.244 1.00 0.00 C ATOM 180 CG PRO A 12 13.990 5.309 3.496 1.00 0.00 C ATOM 181 CD PRO A 12 12.786 6.057 2.932 1.00 0.00 C ATOM 0 HA PRO A 12 15.375 6.991 1.491 1.00 0.00 H new ATOM 0 HB2 PRO A 12 14.447 4.087 1.754 1.00 0.00 H new ATOM 0 HB3 PRO A 12 15.856 4.834 2.481 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.693 4.404 4.025 1.00 0.00 H new ATOM 0 HG3 PRO A 12 14.553 5.920 4.201 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.973 5.372 2.692 1.00 0.00 H new ATOM 0 HD3 PRO A 12 12.395 6.776 3.652 1.00 0.00 H new ATOM 189 N GLY A 13 15.901 5.998 -0.702 1.00 0.00 N ATOM 190 CA GLY A 13 16.179 5.478 -2.059 1.00 0.00 C ATOM 191 C GLY A 13 15.286 6.111 -3.169 1.00 0.00 C ATOM 192 O GLY A 13 15.325 5.669 -4.316 1.00 0.00 O ATOM 0 H GLY A 13 16.688 6.470 -0.257 1.00 0.00 H new ATOM 0 HA2 GLY A 13 17.226 5.660 -2.300 1.00 0.00 H new ATOM 0 HA3 GLY A 13 16.034 4.398 -2.061 1.00 0.00 H new ATOM 196 N CYS A 14 14.524 7.168 -2.826 1.00 0.00 N ATOM 197 CA CYS A 14 13.720 7.901 -3.817 1.00 0.00 C ATOM 198 C CYS A 14 14.553 9.033 -4.462 1.00 0.00 C ATOM 199 O CYS A 14 15.637 9.377 -3.976 1.00 0.00 O ATOM 200 CB CYS A 14 12.465 8.494 -3.135 1.00 0.00 C ATOM 201 SG CYS A 14 11.366 9.367 -4.310 1.00 0.00 S ATOM 0 H CYS A 14 14.450 7.530 -1.875 1.00 0.00 H new ATOM 0 HA CYS A 14 13.413 7.208 -4.600 1.00 0.00 H new ATOM 0 HB2 CYS A 14 11.908 7.693 -2.650 1.00 0.00 H new ATOM 0 HB3 CYS A 14 12.775 9.186 -2.352 1.00 0.00 H new ATOM 0 HG CYS A 14 10.933 8.528 -5.204 1.00 0.00 H new ATOM 206 N ASN A 15 13.998 9.653 -5.509 1.00 0.00 N ATOM 207 CA ASN A 15 14.588 10.854 -6.095 1.00 0.00 C ATOM 208 C ASN A 15 14.478 12.037 -5.117 1.00 0.00 C ATOM 209 O ASN A 15 15.355 12.899 -5.079 1.00 0.00 O ATOM 210 CB ASN A 15 13.875 11.199 -7.417 1.00 0.00 C ATOM 211 CG ASN A 15 14.686 12.187 -8.250 1.00 0.00 C ATOM 212 OD1 ASN A 15 15.834 11.943 -8.583 1.00 0.00 O ATOM 213 ND2 ASN A 15 14.140 13.322 -8.633 1.00 0.00 N ATOM 0 H ASN A 15 13.141 9.340 -5.966 1.00 0.00 H new ATOM 0 HA ASN A 15 15.642 10.662 -6.296 1.00 0.00 H new ATOM 0 HB2 ASN A 15 13.710 10.287 -7.991 1.00 0.00 H new ATOM 0 HB3 ASN A 15 12.894 11.622 -7.202 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.676 13.980 -9.199 1.00 0.00 H new ATOM 0 HD22 ASN A 15 13.181 13.543 -8.364 1.00 0.00 H new ATOM 220 N LYS A 16 13.361 12.078 -4.345 1.00 0.00 N ATOM 221 CA LYS A 16 13.134 13.108 -3.316 1.00 0.00 C ATOM 222 C LYS A 16 12.967 14.471 -3.929 1.00 0.00 C ATOM 223 O LYS A 16 12.852 15.459 -3.213 1.00 0.00 O ATOM 224 CB LYS A 16 14.289 13.116 -2.284 1.00 0.00 C ATOM 225 CG LYS A 16 14.376 11.757 -1.574 1.00 0.00 C ATOM 226 CD LYS A 16 15.466 11.737 -0.499 1.00 0.00 C ATOM 227 CE LYS A 16 15.668 10.309 0.019 1.00 0.00 C ATOM 228 NZ LYS A 16 16.329 9.452 -0.989 1.00 0.00 N ATOM 0 H LYS A 16 12.602 11.401 -4.423 1.00 0.00 H new ATOM 0 HA LYS A 16 12.207 12.858 -2.799 1.00 0.00 H new ATOM 0 HB2 LYS A 16 15.232 13.334 -2.785 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.127 13.907 -1.552 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.414 11.525 -1.118 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.577 10.977 -2.308 1.00 0.00 H new ATOM 0 HD2 LYS A 16 16.400 12.119 -0.910 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.188 12.395 0.324 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.269 10.333 0.928 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.703 9.879 0.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.647 8.570 -0.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.656 9.229 -1.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 17.149 9.953 -1.387 1.00 0.00 H new ATOM 242 N ARG A 17 12.747 14.496 -5.244 1.00 0.00 N ATOM 243 CA ARG A 17 12.394 15.729 -5.948 1.00 0.00 C ATOM 244 C ARG A 17 11.482 15.441 -7.157 1.00 0.00 C ATOM 245 O ARG A 17 11.806 14.618 -8.013 1.00 0.00 O ATOM 246 CB ARG A 17 13.671 16.444 -6.434 1.00 0.00 C ATOM 247 CG ARG A 17 14.574 16.956 -5.304 1.00 0.00 C ATOM 248 CD ARG A 17 15.676 17.878 -5.839 1.00 0.00 C ATOM 249 NE ARG A 17 16.506 18.408 -4.743 1.00 0.00 N ATOM 250 CZ ARG A 17 16.169 19.359 -3.877 1.00 0.00 C ATOM 251 NH1 ARG A 17 15.014 19.986 -3.936 1.00 0.00 N ATOM 252 NH2 ARG A 17 16.995 19.693 -2.912 1.00 0.00 N ATOM 0 H ARG A 17 12.807 13.674 -5.844 1.00 0.00 H new ATOM 0 HA ARG A 17 11.854 16.368 -5.249 1.00 0.00 H new ATOM 0 HB2 ARG A 17 14.243 15.758 -7.058 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.385 17.286 -7.065 1.00 0.00 H new ATOM 0 HG2 ARG A 17 13.972 17.494 -4.571 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.026 16.110 -4.786 1.00 0.00 H new ATOM 0 HD2 ARG A 17 16.304 17.329 -6.541 1.00 0.00 H new ATOM 0 HD3 ARG A 17 15.227 18.704 -6.391 1.00 0.00 H new ATOM 0 HE ARG A 17 17.436 18.003 -4.638 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.341 19.748 -4.664 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.791 20.710 -3.253 1.00 0.00 H new ATOM 0 HH21 ARG A 17 17.896 19.223 -2.826 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.735 20.423 -2.248 1.00 0.00 H new ATOM 266 N TYR A 18 10.347 16.142 -7.202 1.00 0.00 N ATOM 267 CA TYR A 18 9.372 15.991 -8.282 1.00 0.00 C ATOM 268 C TYR A 18 9.039 17.358 -8.910 1.00 0.00 C ATOM 269 O TYR A 18 9.350 18.406 -8.343 1.00 0.00 O ATOM 270 CB TYR A 18 8.098 15.352 -7.731 1.00 0.00 C ATOM 271 CG TYR A 18 8.241 13.896 -7.368 1.00 0.00 C ATOM 272 CD1 TYR A 18 8.808 13.528 -6.137 1.00 0.00 C ATOM 273 CD2 TYR A 18 7.878 12.904 -8.292 1.00 0.00 C ATOM 274 CE1 TYR A 18 9.111 12.181 -5.893 1.00 0.00 C ATOM 275 CE2 TYR A 18 8.286 11.577 -8.087 1.00 0.00 C ATOM 276 CZ TYR A 18 9.000 11.232 -6.923 1.00 0.00 C ATOM 277 OH TYR A 18 9.638 10.032 -6.816 1.00 0.00 O ATOM 0 H TYR A 18 10.080 16.826 -6.495 1.00 0.00 H new ATOM 0 HA TYR A 18 9.800 15.352 -9.054 1.00 0.00 H new ATOM 0 HB2 TYR A 18 7.781 15.905 -6.847 1.00 0.00 H new ATOM 0 HB3 TYR A 18 7.305 15.453 -8.472 1.00 0.00 H new ATOM 0 HD1 TYR A 18 9.009 14.276 -5.385 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.286 13.161 -9.158 1.00 0.00 H new ATOM 0 HE1 TYR A 18 9.431 11.872 -4.909 1.00 0.00 H new ATOM 0 HE2 TYR A 18 8.053 10.821 -8.822 1.00 0.00 H new ATOM 0 HH TYR A 18 10.202 10.032 -6.014 1.00 0.00 H new ATOM 287 N PHE A 19 8.419 17.330 -10.097 1.00 0.00 N ATOM 288 CA PHE A 19 8.209 18.552 -10.891 1.00 0.00 C ATOM 289 C PHE A 19 6.710 18.847 -11.102 1.00 0.00 C ATOM 290 O PHE A 19 6.343 19.946 -11.515 1.00 0.00 O ATOM 291 CB PHE A 19 8.896 18.397 -12.250 1.00 0.00 C ATOM 292 CG PHE A 19 10.381 18.101 -12.126 1.00 0.00 C ATOM 293 CD1 PHE A 19 11.275 19.132 -11.777 1.00 0.00 C ATOM 294 CD2 PHE A 19 10.864 16.790 -12.297 1.00 0.00 C ATOM 295 CE1 PHE A 19 12.644 18.855 -11.609 1.00 0.00 C ATOM 296 CE2 PHE A 19 12.233 16.512 -12.127 1.00 0.00 C ATOM 297 CZ PHE A 19 13.124 17.545 -11.784 1.00 0.00 C ATOM 0 H PHE A 19 8.055 16.480 -10.529 1.00 0.00 H new ATOM 0 HA PHE A 19 8.640 19.389 -10.342 1.00 0.00 H new ATOM 0 HB2 PHE A 19 8.415 17.593 -12.806 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.759 19.311 -12.828 1.00 0.00 H new ATOM 0 HD1 PHE A 19 10.908 20.138 -11.638 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.182 15.995 -12.559 1.00 0.00 H new ATOM 0 HE1 PHE A 19 13.327 19.649 -11.345 1.00 0.00 H new ATOM 0 HE2 PHE A 19 12.600 15.505 -12.260 1.00 0.00 H new ATOM 0 HZ PHE A 19 14.175 17.332 -11.655 1.00 0.00 H new ATOM 307 N LYS A 20 5.855 17.856 -10.818 1.00 0.00 N ATOM 308 CA LYS A 20 4.401 18.004 -10.986 1.00 0.00 C ATOM 309 C LYS A 20 3.673 17.617 -9.700 1.00 0.00 C ATOM 310 O LYS A 20 3.913 16.556 -9.138 1.00 0.00 O ATOM 311 CB LYS A 20 3.917 17.122 -12.155 1.00 0.00 C ATOM 312 CG LYS A 20 4.205 17.794 -13.509 1.00 0.00 C ATOM 313 CD LYS A 20 3.267 18.971 -13.839 1.00 0.00 C ATOM 314 CE LYS A 20 3.941 19.963 -14.796 1.00 0.00 C ATOM 315 NZ LYS A 20 4.935 20.805 -14.092 1.00 0.00 N ATOM 0 H LYS A 20 6.144 16.942 -10.470 1.00 0.00 H new ATOM 0 HA LYS A 20 4.178 19.047 -11.209 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.413 16.152 -12.113 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.847 16.937 -12.057 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.235 18.152 -13.513 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.124 17.046 -14.298 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.349 18.593 -14.289 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.984 19.483 -12.919 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.431 19.417 -15.602 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.184 20.599 -15.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.735 21.002 -14.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.491 21.701 -13.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.278 20.304 -13.247 1.00 0.00 H new ATOM 329 N LEU A 21 2.786 18.498 -9.239 1.00 0.00 N ATOM 330 CA LEU A 21 2.099 18.316 -7.958 1.00 0.00 C ATOM 331 C LEU A 21 1.422 16.936 -7.886 1.00 0.00 C ATOM 332 O LEU A 21 1.701 16.151 -6.987 1.00 0.00 O ATOM 333 CB LEU A 21 1.050 19.434 -7.775 1.00 0.00 C ATOM 334 CG LEU A 21 0.303 19.430 -6.426 1.00 0.00 C ATOM 335 CD1 LEU A 21 0.122 20.862 -5.912 1.00 0.00 C ATOM 336 CD2 LEU A 21 -1.097 18.815 -6.545 1.00 0.00 C ATOM 0 H LEU A 21 2.524 19.350 -9.736 1.00 0.00 H new ATOM 0 HA LEU A 21 2.835 18.371 -7.156 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.547 20.397 -7.892 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.316 19.354 -8.577 1.00 0.00 H new ATOM 0 HG LEU A 21 0.909 18.836 -5.742 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.407 20.842 -4.959 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.099 21.326 -5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.455 21.438 -6.635 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.586 18.833 -5.571 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.687 19.390 -7.258 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.014 17.784 -6.890 1.00 0.00 H new ATOM 348 N SER A 22 0.540 16.657 -8.847 1.00 0.00 N ATOM 349 CA SER A 22 -0.243 15.404 -8.866 1.00 0.00 C ATOM 350 C SER A 22 0.643 14.186 -9.122 1.00 0.00 C ATOM 351 O SER A 22 0.404 13.112 -8.577 1.00 0.00 O ATOM 352 CB SER A 22 -1.322 15.483 -9.950 1.00 0.00 C ATOM 353 OG SER A 22 -2.063 16.679 -9.803 1.00 0.00 O ATOM 0 H SER A 22 0.344 17.281 -9.630 1.00 0.00 H new ATOM 0 HA SER A 22 -0.704 15.288 -7.885 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.862 15.449 -10.937 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.986 14.622 -9.878 1.00 0.00 H new ATOM 0 HG SER A 22 -2.751 16.726 -10.500 1.00 0.00 H new ATOM 359 N HIS A 23 1.666 14.363 -9.958 1.00 0.00 N ATOM 360 CA HIS A 23 2.615 13.283 -10.226 1.00 0.00 C ATOM 361 C HIS A 23 3.362 12.907 -8.928 1.00 0.00 C ATOM 362 O HIS A 23 3.480 11.729 -8.589 1.00 0.00 O ATOM 363 CB HIS A 23 3.599 13.708 -11.358 1.00 0.00 C ATOM 364 CG HIS A 23 5.118 13.816 -11.302 1.00 0.00 C ATOM 365 ND1 HIS A 23 5.936 13.400 -12.332 1.00 0.00 N ATOM 366 CD2 HIS A 23 5.881 14.661 -10.541 1.00 0.00 C ATOM 367 CE1 HIS A 23 7.138 13.987 -12.195 1.00 0.00 C ATOM 368 NE2 HIS A 23 7.149 14.786 -11.118 1.00 0.00 N ATOM 0 H HIS A 23 1.858 15.232 -10.456 1.00 0.00 H new ATOM 0 HA HIS A 23 2.078 12.399 -10.569 1.00 0.00 H new ATOM 0 HB2 HIS A 23 3.395 13.023 -12.181 1.00 0.00 H new ATOM 0 HB3 HIS A 23 3.258 14.694 -11.673 1.00 0.00 H new ATOM 0 HD1 HIS A 23 5.672 12.753 -13.075 1.00 0.00 H new ATOM 0 HD2 HIS A 23 5.555 15.154 -9.637 1.00 0.00 H new ATOM 0 HE1 HIS A 23 7.976 13.836 -12.859 1.00 0.00 H new ATOM 376 N LEU A 24 3.736 13.929 -8.148 1.00 0.00 N ATOM 377 CA LEU A 24 4.327 13.714 -6.828 1.00 0.00 C ATOM 378 C LEU A 24 3.276 13.154 -5.815 1.00 0.00 C ATOM 379 O LEU A 24 3.591 12.286 -5.009 1.00 0.00 O ATOM 380 CB LEU A 24 4.927 15.019 -6.296 1.00 0.00 C ATOM 381 CG LEU A 24 5.659 14.987 -4.922 1.00 0.00 C ATOM 382 CD1 LEU A 24 4.810 15.589 -3.798 1.00 0.00 C ATOM 383 CD2 LEU A 24 6.188 13.634 -4.430 1.00 0.00 C ATOM 0 H LEU A 24 3.639 14.910 -8.410 1.00 0.00 H new ATOM 0 HA LEU A 24 5.119 12.973 -6.935 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.632 15.389 -7.040 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.123 15.751 -6.228 1.00 0.00 H new ATOM 0 HG LEU A 24 6.537 15.593 -5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.363 15.544 -2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.579 16.628 -4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.883 15.024 -3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.673 13.763 -3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.359 12.934 -4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.909 13.242 -5.148 1.00 0.00 H new ATOM 395 N GLN A 25 2.027 13.629 -5.894 1.00 0.00 N ATOM 396 CA GLN A 25 0.958 13.114 -5.014 1.00 0.00 C ATOM 397 C GLN A 25 0.765 11.612 -5.234 1.00 0.00 C ATOM 398 O GLN A 25 0.798 10.830 -4.281 1.00 0.00 O ATOM 399 CB GLN A 25 -0.377 13.848 -5.281 1.00 0.00 C ATOM 400 CG GLN A 25 -0.508 15.331 -4.900 1.00 0.00 C ATOM 401 CD GLN A 25 0.477 15.785 -3.838 1.00 0.00 C ATOM 402 OE1 GLN A 25 0.235 15.660 -2.652 1.00 0.00 O ATOM 403 NE2 GLN A 25 1.624 16.297 -4.238 1.00 0.00 N ATOM 0 H GLN A 25 1.730 14.356 -6.544 1.00 0.00 H new ATOM 0 HA GLN A 25 1.259 13.293 -3.982 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.590 13.763 -6.347 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.161 13.304 -4.755 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.368 15.939 -5.794 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.521 15.516 -4.544 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.818 16.398 -5.234 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.318 16.592 -3.551 1.00 0.00 H new ATOM 412 N MET A 26 0.656 11.206 -6.508 1.00 0.00 N ATOM 413 CA MET A 26 0.588 9.791 -6.863 1.00 0.00 C ATOM 414 C MET A 26 1.852 9.056 -6.396 1.00 0.00 C ATOM 415 O MET A 26 1.767 7.995 -5.780 1.00 0.00 O ATOM 416 CB MET A 26 0.425 9.635 -8.385 1.00 0.00 C ATOM 417 CG MET A 26 0.196 8.171 -8.785 1.00 0.00 C ATOM 418 SD MET A 26 -1.260 7.396 -8.025 1.00 0.00 S ATOM 419 CE MET A 26 -1.004 5.672 -8.521 1.00 0.00 C ATOM 0 H MET A 26 0.614 11.841 -7.305 1.00 0.00 H new ATOM 0 HA MET A 26 -0.276 9.352 -6.364 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.415 10.241 -8.725 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.315 10.014 -8.887 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.096 8.116 -9.869 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.080 7.593 -8.517 1.00 0.00 H new ATOM 0 HE1 MET A 26 -1.816 5.057 -8.133 1.00 0.00 H new ATOM 0 HE2 MET A 26 -0.986 5.605 -9.609 1.00 0.00 H new ATOM 0 HE3 MET A 26 -0.055 5.315 -8.120 1.00 0.00 H new ATOM 429 N HIS A 27 3.018 9.698 -6.569 1.00 0.00 N ATOM 430 CA HIS A 27 4.281 9.112 -6.138 1.00 0.00 C ATOM 431 C HIS A 27 4.240 8.807 -4.635 1.00 0.00 C ATOM 432 O HIS A 27 4.586 7.707 -4.210 1.00 0.00 O ATOM 433 CB HIS A 27 5.452 10.082 -6.439 1.00 0.00 C ATOM 434 CG HIS A 27 6.638 9.643 -5.668 1.00 0.00 C ATOM 435 ND1 HIS A 27 7.285 8.445 -5.859 1.00 0.00 N ATOM 436 CD2 HIS A 27 7.115 10.242 -4.535 1.00 0.00 C ATOM 437 CE1 HIS A 27 8.191 8.346 -4.881 1.00 0.00 C ATOM 438 NE2 HIS A 27 8.129 9.428 -4.094 1.00 0.00 N ATOM 0 H HIS A 27 3.105 10.617 -7.002 1.00 0.00 H new ATOM 0 HA HIS A 27 4.435 8.183 -6.687 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.675 10.087 -7.506 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.179 11.101 -6.166 1.00 0.00 H new ATOM 0 HD2 HIS A 27 6.768 11.160 -4.083 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.871 7.518 -4.746 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.736 9.617 -3.297 1.00 0.00 H new ATOM 446 N SER A 28 3.704 9.746 -3.855 1.00 0.00 N ATOM 447 CA SER A 28 3.632 9.596 -2.410 1.00 0.00 C ATOM 448 C SER A 28 2.819 8.338 -2.022 1.00 0.00 C ATOM 449 O SER A 28 3.240 7.565 -1.149 1.00 0.00 O ATOM 450 CB SER A 28 2.982 10.851 -1.795 1.00 0.00 C ATOM 451 OG SER A 28 1.576 10.852 -1.901 1.00 0.00 O ATOM 0 H SER A 28 3.313 10.620 -4.206 1.00 0.00 H new ATOM 0 HA SER A 28 4.644 9.478 -2.023 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.262 10.920 -0.744 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.379 11.738 -2.289 1.00 0.00 H new ATOM 0 HG SER A 28 1.315 11.161 -2.794 1.00 0.00 H new ATOM 457 N ARG A 29 1.731 8.058 -2.782 1.00 0.00 N ATOM 458 CA ARG A 29 0.906 6.862 -2.539 1.00 0.00 C ATOM 459 C ARG A 29 1.760 5.594 -2.621 1.00 0.00 C ATOM 460 O ARG A 29 1.557 4.656 -1.850 1.00 0.00 O ATOM 461 CB ARG A 29 -0.260 6.783 -3.549 1.00 0.00 C ATOM 462 CG ARG A 29 -1.603 7.345 -3.034 1.00 0.00 C ATOM 463 CD ARG A 29 -1.803 8.858 -3.205 1.00 0.00 C ATOM 464 NE ARG A 29 -1.129 9.661 -2.170 1.00 0.00 N ATOM 465 CZ ARG A 29 -1.667 10.546 -1.336 1.00 0.00 C ATOM 466 NH1 ARG A 29 -2.962 10.663 -1.148 1.00 0.00 N ATOM 467 NH2 ARG A 29 -0.873 11.319 -0.630 1.00 0.00 N ATOM 0 H ARG A 29 1.413 8.640 -3.557 1.00 0.00 H new ATOM 0 HA ARG A 29 0.488 6.940 -1.535 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.022 7.325 -4.451 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -0.404 5.741 -3.835 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.413 6.830 -3.550 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.695 7.103 -1.975 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.431 9.157 -4.185 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.870 9.080 -3.188 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.123 9.520 -2.082 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.608 10.057 -1.654 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.322 11.360 -0.496 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.139 11.235 -0.727 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.269 12.003 0.015 1.00 0.00 H new ATOM 481 N LYS A 30 2.718 5.573 -3.567 1.00 0.00 N ATOM 482 CA LYS A 30 3.581 4.401 -3.782 1.00 0.00 C ATOM 483 C LYS A 30 4.315 4.006 -2.490 1.00 0.00 C ATOM 484 O LYS A 30 4.491 2.822 -2.210 1.00 0.00 O ATOM 485 CB LYS A 30 4.619 4.713 -4.883 1.00 0.00 C ATOM 486 CG LYS A 30 5.400 3.474 -5.356 1.00 0.00 C ATOM 487 CD LYS A 30 6.688 3.851 -6.105 1.00 0.00 C ATOM 488 CE LYS A 30 7.745 4.424 -5.151 1.00 0.00 C ATOM 489 NZ LYS A 30 8.997 4.749 -5.863 1.00 0.00 N ATOM 0 H LYS A 30 2.912 6.355 -4.193 1.00 0.00 H new ATOM 0 HA LYS A 30 2.949 3.568 -4.090 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.109 5.159 -5.737 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.323 5.456 -4.508 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.650 2.854 -4.495 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.765 2.873 -6.008 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.089 2.971 -6.608 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.459 4.584 -6.879 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.355 5.321 -4.671 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.952 3.703 -4.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.690 5.134 -5.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.381 3.887 -6.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.803 5.455 -6.601 1.00 0.00 H new ATOM 503 N HIS A 31 4.753 5.007 -1.710 1.00 0.00 N ATOM 504 CA HIS A 31 5.601 4.750 -0.542 1.00 0.00 C ATOM 505 C HIS A 31 4.766 4.304 0.670 1.00 0.00 C ATOM 506 O HIS A 31 5.277 3.624 1.557 1.00 0.00 O ATOM 507 CB HIS A 31 6.414 6.000 -0.198 1.00 0.00 C ATOM 508 CG HIS A 31 7.548 6.179 -1.182 1.00 0.00 C ATOM 509 ND1 HIS A 31 8.326 5.167 -1.710 1.00 0.00 N ATOM 510 CD2 HIS A 31 8.060 7.360 -1.645 1.00 0.00 C ATOM 511 CE1 HIS A 31 9.315 5.724 -2.420 1.00 0.00 C ATOM 512 NE2 HIS A 31 9.193 7.049 -2.410 1.00 0.00 N ATOM 0 H HIS A 31 4.535 5.991 -1.867 1.00 0.00 H new ATOM 0 HA HIS A 31 6.284 3.938 -0.792 1.00 0.00 H new ATOM 0 HB2 HIS A 31 5.768 6.878 -0.215 1.00 0.00 H new ATOM 0 HB3 HIS A 31 6.812 5.916 0.813 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.665 8.347 -1.456 1.00 0.00 H new ATOM 0 HE1 HIS A 31 10.097 5.178 -2.927 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.810 7.716 -2.874 1.00 0.00 H new ATOM 520 N THR A 32 3.469 4.662 0.686 1.00 0.00 N ATOM 521 CA THR A 32 2.552 4.204 1.763 1.00 0.00 C ATOM 522 C THR A 32 2.557 2.658 1.896 1.00 0.00 C ATOM 523 O THR A 32 2.262 2.125 2.964 1.00 0.00 O ATOM 524 CB THR A 32 1.103 4.668 1.493 1.00 0.00 C ATOM 525 OG1 THR A 32 0.513 4.046 0.371 1.00 0.00 O ATOM 526 CG2 THR A 32 0.980 6.182 1.308 1.00 0.00 C ATOM 0 H THR A 32 3.032 5.256 -0.018 1.00 0.00 H new ATOM 0 HA THR A 32 2.914 4.647 2.691 1.00 0.00 H new ATOM 0 HB THR A 32 0.569 4.366 2.394 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.775 4.524 -0.443 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.062 6.442 1.122 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.325 6.688 2.210 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.589 6.496 0.460 1.00 0.00 H new ATOM 592 N TYR A 37 7.713 -1.369 9.038 1.00 0.00 N ATOM 593 CA TYR A 37 7.189 -1.653 10.394 1.00 0.00 C ATOM 594 C TYR A 37 7.792 -2.967 10.947 1.00 0.00 C ATOM 595 O TYR A 37 8.389 -3.741 10.206 1.00 0.00 O ATOM 596 CB TYR A 37 5.656 -1.778 10.346 1.00 0.00 C ATOM 597 CG TYR A 37 4.877 -0.484 10.366 1.00 0.00 C ATOM 598 CD1 TYR A 37 4.573 0.132 11.597 1.00 0.00 C ATOM 599 CD2 TYR A 37 4.349 0.027 9.168 1.00 0.00 C ATOM 600 CE1 TYR A 37 3.662 1.202 11.646 1.00 0.00 C ATOM 601 CE2 TYR A 37 3.445 1.101 9.211 1.00 0.00 C ATOM 602 CZ TYR A 37 3.070 1.660 10.451 1.00 0.00 C ATOM 603 OH TYR A 37 2.096 2.605 10.486 1.00 0.00 O ATOM 0 HA TYR A 37 7.471 -0.830 11.051 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.386 -2.326 9.443 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.336 -2.383 11.194 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.041 -0.219 12.505 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.637 -0.404 8.220 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.418 1.668 12.589 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.037 1.499 8.294 1.00 0.00 H new ATOM 0 HH TYR A 37 2.313 3.322 9.854 1.00 0.00 H new ATOM 613 N GLN A 38 7.581 -3.222 12.249 1.00 0.00 N ATOM 614 CA GLN A 38 7.936 -4.516 12.870 1.00 0.00 C ATOM 615 C GLN A 38 6.773 -5.042 13.727 1.00 0.00 C ATOM 616 O GLN A 38 5.946 -4.264 14.207 1.00 0.00 O ATOM 617 CB GLN A 38 9.199 -4.354 13.735 1.00 0.00 C ATOM 618 CG GLN A 38 9.013 -3.641 15.095 1.00 0.00 C ATOM 619 CD GLN A 38 8.503 -2.201 15.005 1.00 0.00 C ATOM 620 OE1 GLN A 38 9.269 -1.259 14.892 1.00 0.00 O ATOM 621 NE2 GLN A 38 7.201 -1.971 15.024 1.00 0.00 N ATOM 0 H GLN A 38 7.166 -2.551 12.895 1.00 0.00 H new ATOM 0 HA GLN A 38 8.135 -5.238 12.078 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.614 -5.344 13.922 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.940 -3.801 13.158 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.316 -4.221 15.700 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.967 -3.640 15.622 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.547 -2.748 15.118 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.851 -1.016 14.945 1.00 0.00 H new ATOM 630 N CYS A 39 6.725 -6.365 13.913 1.00 0.00 N ATOM 631 CA CYS A 39 5.682 -6.996 14.724 1.00 0.00 C ATOM 632 C CYS A 39 5.624 -6.360 16.128 1.00 0.00 C ATOM 633 O CYS A 39 6.658 -6.081 16.740 1.00 0.00 O ATOM 634 CB CYS A 39 5.940 -8.496 14.845 1.00 0.00 C ATOM 635 SG CYS A 39 4.467 -9.173 15.661 1.00 0.00 S ATOM 0 H CYS A 39 7.397 -7.019 13.512 1.00 0.00 H new ATOM 0 HA CYS A 39 4.724 -6.838 14.229 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.090 -8.949 13.865 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.839 -8.694 15.429 1.00 0.00 H new ATOM 0 HG CYS A 39 3.399 -8.665 15.121 1.00 0.00 H new ATOM 731 N ARG A 46 9.364 -9.916 13.375 1.00 0.00 N ATOM 732 CA ARG A 46 9.195 -9.849 11.918 1.00 0.00 C ATOM 733 C ARG A 46 8.939 -8.415 11.481 1.00 0.00 C ATOM 734 O ARG A 46 8.626 -7.558 12.302 1.00 0.00 O ATOM 735 CB ARG A 46 8.020 -10.751 11.483 1.00 0.00 C ATOM 736 CG ARG A 46 8.478 -12.135 10.981 1.00 0.00 C ATOM 737 CD ARG A 46 9.499 -12.879 11.858 1.00 0.00 C ATOM 738 NE ARG A 46 8.982 -13.168 13.201 1.00 0.00 N ATOM 739 CZ ARG A 46 9.536 -13.934 14.130 1.00 0.00 C ATOM 740 NH1 ARG A 46 10.728 -14.470 13.993 1.00 0.00 N ATOM 741 NH2 ARG A 46 8.886 -14.147 15.248 1.00 0.00 N ATOM 0 HA ARG A 46 10.110 -10.201 11.442 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.339 -10.883 12.324 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.458 -10.252 10.693 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.597 -12.767 10.872 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.907 -12.012 9.987 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.779 -13.813 11.371 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.406 -12.280 11.942 1.00 0.00 H new ATOM 0 HE ARG A 46 8.095 -12.729 13.448 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.268 -14.303 13.144 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.113 -15.053 14.736 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.968 -13.726 15.393 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.298 -14.734 15.973 1.00 0.00 H new ATOM 755 N ARG A 47 9.112 -8.149 10.183 1.00 0.00 N ATOM 756 CA ARG A 47 8.956 -6.795 9.644 1.00 0.00 C ATOM 757 C ARG A 47 7.930 -6.772 8.514 1.00 0.00 C ATOM 758 O ARG A 47 7.683 -7.783 7.859 1.00 0.00 O ATOM 759 CB ARG A 47 10.309 -6.268 9.132 1.00 0.00 C ATOM 760 CG ARG A 47 11.356 -5.918 10.209 1.00 0.00 C ATOM 761 CD ARG A 47 12.092 -7.108 10.843 1.00 0.00 C ATOM 762 NE ARG A 47 12.740 -7.968 9.836 1.00 0.00 N ATOM 763 CZ ARG A 47 13.050 -9.256 9.963 1.00 0.00 C ATOM 764 NH1 ARG A 47 12.808 -9.949 11.052 1.00 0.00 N ATOM 765 NH2 ARG A 47 13.619 -9.887 8.961 1.00 0.00 N ATOM 0 H ARG A 47 9.360 -8.852 9.487 1.00 0.00 H new ATOM 0 HA ARG A 47 8.599 -6.150 10.447 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.739 -7.017 8.467 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.124 -5.377 8.531 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.097 -5.253 9.765 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.860 -5.359 11.002 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.845 -6.737 11.539 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.386 -7.701 11.423 1.00 0.00 H new ATOM 0 HE ARG A 47 12.976 -7.529 8.946 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.362 -9.501 11.853 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.066 -10.935 11.097 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.820 -9.390 8.093 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.860 -10.874 9.051 1.00 0.00 H new ATOM 779 N PHE A 48 7.344 -5.597 8.297 1.00 0.00 N ATOM 780 CA PHE A 48 6.290 -5.402 7.304 1.00 0.00 C ATOM 781 C PHE A 48 6.507 -4.086 6.561 1.00 0.00 C ATOM 782 O PHE A 48 7.320 -3.267 6.973 1.00 0.00 O ATOM 783 CB PHE A 48 4.921 -5.390 8.001 1.00 0.00 C ATOM 784 CG PHE A 48 4.676 -6.704 8.709 1.00 0.00 C ATOM 785 CD1 PHE A 48 4.382 -7.843 7.940 1.00 0.00 C ATOM 786 CD2 PHE A 48 4.963 -6.833 10.084 1.00 0.00 C ATOM 787 CE1 PHE A 48 4.455 -9.112 8.523 1.00 0.00 C ATOM 788 CE2 PHE A 48 5.025 -8.109 10.674 1.00 0.00 C ATOM 789 CZ PHE A 48 4.834 -9.243 9.870 1.00 0.00 C ATOM 0 H PHE A 48 7.588 -4.749 8.808 1.00 0.00 H new ATOM 0 HA PHE A 48 6.321 -6.221 6.585 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.879 -4.570 8.718 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.134 -5.213 7.268 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.101 -7.739 6.903 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.135 -5.952 10.684 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.221 -9.990 7.939 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.217 -8.214 11.732 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.980 -10.227 10.291 1.00 0.00 H new ATOM 799 N SER A 49 5.823 -3.914 5.428 1.00 0.00 N ATOM 800 CA SER A 49 6.027 -2.733 4.580 1.00 0.00 C ATOM 801 C SER A 49 4.860 -1.731 4.706 1.00 0.00 C ATOM 802 O SER A 49 4.818 -0.733 3.991 1.00 0.00 O ATOM 803 CB SER A 49 6.175 -3.168 3.111 1.00 0.00 C ATOM 804 OG SER A 49 4.919 -3.384 2.481 1.00 0.00 O ATOM 0 H SER A 49 5.127 -4.571 5.076 1.00 0.00 H new ATOM 0 HA SER A 49 6.936 -2.235 4.916 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.727 -2.405 2.563 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.765 -4.084 3.064 1.00 0.00 H new ATOM 0 HG SER A 49 5.062 -3.657 1.551 1.00 0.00 H new ATOM 810 N ARG A 50 3.906 -2.016 5.610 1.00 0.00 N ATOM 811 CA ARG A 50 2.732 -1.153 5.791 1.00 0.00 C ATOM 812 C ARG A 50 2.018 -1.465 7.108 1.00 0.00 C ATOM 813 O ARG A 50 2.101 -2.586 7.623 1.00 0.00 O ATOM 814 CB ARG A 50 1.762 -1.359 4.618 1.00 0.00 C ATOM 815 CG ARG A 50 0.592 -0.371 4.543 1.00 0.00 C ATOM 816 CD ARG A 50 -0.035 -0.364 3.151 1.00 0.00 C ATOM 817 NE ARG A 50 -0.284 -1.731 2.620 1.00 0.00 N ATOM 818 CZ ARG A 50 -0.048 -2.139 1.377 1.00 0.00 C ATOM 819 NH1 ARG A 50 0.338 -1.297 0.465 1.00 0.00 N ATOM 820 NH2 ARG A 50 -0.159 -3.389 1.039 1.00 0.00 N ATOM 0 H ARG A 50 3.927 -2.832 6.221 1.00 0.00 H new ATOM 0 HA ARG A 50 3.066 -0.116 5.820 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.327 -1.296 3.688 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.357 -2.369 4.678 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.162 -0.639 5.283 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.942 0.631 4.792 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.977 0.184 3.185 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.621 0.172 2.465 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.671 -2.417 3.268 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.463 -0.312 0.700 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.516 -1.621 -0.486 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.433 -4.083 1.735 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.028 -3.676 0.078 1.00 0.00 H new ATOM 834 N SER A 51 1.244 -0.489 7.600 1.00 0.00 N ATOM 835 CA SER A 51 0.418 -0.669 8.799 1.00 0.00 C ATOM 836 C SER A 51 -0.580 -1.811 8.598 1.00 0.00 C ATOM 837 O SER A 51 -0.854 -2.567 9.516 1.00 0.00 O ATOM 838 CB SER A 51 -0.350 0.628 9.110 1.00 0.00 C ATOM 839 OG SER A 51 0.355 1.786 8.712 1.00 0.00 O ATOM 0 H SER A 51 1.173 0.439 7.182 1.00 0.00 H new ATOM 0 HA SER A 51 1.075 -0.914 9.633 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.316 0.604 8.605 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.551 0.679 10.180 1.00 0.00 H new ATOM 0 HG SER A 51 1.191 1.851 9.219 1.00 0.00 H new ATOM 845 N ASP A 52 -1.147 -1.897 7.387 1.00 0.00 N ATOM 846 CA ASP A 52 -2.147 -2.915 7.069 1.00 0.00 C ATOM 847 C ASP A 52 -1.531 -4.340 7.115 1.00 0.00 C ATOM 848 O ASP A 52 -2.130 -5.257 7.668 1.00 0.00 O ATOM 849 CB ASP A 52 -2.743 -2.641 5.676 1.00 0.00 C ATOM 850 CG ASP A 52 -3.987 -3.489 5.387 1.00 0.00 C ATOM 851 OD1 ASP A 52 -4.760 -3.736 6.343 1.00 0.00 O ATOM 852 OD2 ASP A 52 -4.140 -3.913 4.220 1.00 0.00 O ATOM 0 H ASP A 52 -0.927 -1.271 6.613 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.937 -2.866 7.818 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.002 -1.585 5.598 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.987 -2.841 4.916 1.00 0.00 H new ATOM 857 N GLN A 53 -0.293 -4.486 6.598 1.00 0.00 N ATOM 858 CA GLN A 53 0.441 -5.769 6.680 1.00 0.00 C ATOM 859 C GLN A 53 0.712 -6.142 8.139 1.00 0.00 C ATOM 860 O GLN A 53 0.445 -7.262 8.559 1.00 0.00 O ATOM 861 CB GLN A 53 1.782 -5.672 5.925 1.00 0.00 C ATOM 862 CG GLN A 53 1.753 -6.046 4.444 1.00 0.00 C ATOM 863 CD GLN A 53 1.223 -4.928 3.567 1.00 0.00 C ATOM 864 OE1 GLN A 53 0.024 -4.693 3.497 1.00 0.00 O ATOM 865 NE2 GLN A 53 2.081 -4.212 2.862 1.00 0.00 N ATOM 0 H GLN A 53 0.216 -3.740 6.124 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.178 -6.540 6.221 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.151 -4.650 6.013 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.504 -6.316 6.427 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.760 -6.309 4.120 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.133 -6.932 4.310 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.080 -4.409 2.922 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.744 -3.462 2.258 1.00 0.00 H new ATOM 874 N LEU A 54 1.255 -5.189 8.903 1.00 0.00 N ATOM 875 CA LEU A 54 1.560 -5.402 10.318 1.00 0.00 C ATOM 876 C LEU A 54 0.274 -5.729 11.117 1.00 0.00 C ATOM 877 O LEU A 54 0.239 -6.691 11.880 1.00 0.00 O ATOM 878 CB LEU A 54 2.230 -4.135 10.884 1.00 0.00 C ATOM 879 CG LEU A 54 2.406 -4.007 12.402 1.00 0.00 C ATOM 880 CD1 LEU A 54 3.123 -5.216 12.993 1.00 0.00 C ATOM 881 CD2 LEU A 54 3.218 -2.739 12.695 1.00 0.00 C ATOM 0 H LEU A 54 1.493 -4.258 8.561 1.00 0.00 H new ATOM 0 HA LEU A 54 2.237 -6.251 10.412 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.217 -4.053 10.429 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.651 -3.276 10.545 1.00 0.00 H new ATOM 0 HG LEU A 54 1.419 -3.952 12.861 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.228 -5.086 14.070 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.544 -6.117 12.791 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.110 -5.310 12.541 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.352 -2.633 13.772 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.193 -2.812 12.213 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.687 -1.869 12.309 1.00 0.00 H new ATOM 893 N LYS A 55 -0.790 -4.945 10.886 1.00 0.00 N ATOM 894 CA LYS A 55 -2.099 -5.182 11.523 1.00 0.00 C ATOM 895 C LYS A 55 -2.627 -6.575 11.174 1.00 0.00 C ATOM 896 O LYS A 55 -3.048 -7.320 12.052 1.00 0.00 O ATOM 897 CB LYS A 55 -3.101 -4.110 11.057 1.00 0.00 C ATOM 898 CG LYS A 55 -4.485 -4.155 11.723 1.00 0.00 C ATOM 899 CD LYS A 55 -5.512 -3.215 11.059 1.00 0.00 C ATOM 900 CE LYS A 55 -5.135 -1.725 11.059 1.00 0.00 C ATOM 901 NZ LYS A 55 -4.246 -1.369 9.931 1.00 0.00 N ATOM 0 H LYS A 55 -0.771 -4.139 10.261 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.977 -5.122 12.605 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.664 -3.128 11.237 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.234 -4.207 9.979 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.863 -5.177 11.690 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.384 -3.886 12.775 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.659 -3.535 10.028 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.469 -3.331 11.569 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.042 -1.123 11.007 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.642 -1.478 11.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.506 -0.430 9.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.259 -1.352 10.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.347 -2.074 9.173 1.00 0.00 H new ATOM 915 N ARG A 56 -2.553 -6.938 9.884 1.00 0.00 N ATOM 916 CA ARG A 56 -2.913 -8.288 9.432 1.00 0.00 C ATOM 917 C ARG A 56 -2.073 -9.342 10.159 1.00 0.00 C ATOM 918 O ARG A 56 -2.608 -10.312 10.682 1.00 0.00 O ATOM 919 CB ARG A 56 -2.698 -8.401 7.916 1.00 0.00 C ATOM 920 CG ARG A 56 -2.989 -9.789 7.322 1.00 0.00 C ATOM 921 CD ARG A 56 -2.495 -9.857 5.873 1.00 0.00 C ATOM 922 NE ARG A 56 -3.155 -8.846 5.037 1.00 0.00 N ATOM 923 CZ ARG A 56 -3.167 -8.785 3.714 1.00 0.00 C ATOM 924 NH1 ARG A 56 -2.609 -9.714 2.972 1.00 0.00 N ATOM 925 NH2 ARG A 56 -3.759 -7.754 3.157 1.00 0.00 N ATOM 0 H ARG A 56 -2.247 -6.315 9.137 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.964 -8.465 9.662 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.333 -7.668 7.418 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.666 -8.134 7.689 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.498 -10.558 7.918 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.059 -9.992 7.359 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.416 -9.706 5.847 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.688 -10.850 5.467 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.660 -8.109 5.530 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.150 -10.511 3.413 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.635 -9.638 1.955 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.189 -7.036 3.740 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.789 -7.671 2.141 1.00 0.00 H new ATOM 939 N HIS A 57 -0.763 -9.104 10.244 1.00 0.00 N ATOM 940 CA HIS A 57 0.153 -10.047 10.878 1.00 0.00 C ATOM 941 C HIS A 57 -0.220 -10.260 12.358 1.00 0.00 C ATOM 942 O HIS A 57 -0.276 -11.395 12.828 1.00 0.00 O ATOM 943 CB HIS A 57 1.595 -9.524 10.774 1.00 0.00 C ATOM 944 CG HIS A 57 2.574 -10.450 11.454 1.00 0.00 C ATOM 945 ND1 HIS A 57 2.961 -11.704 11.023 1.00 0.00 N ATOM 946 CD2 HIS A 57 3.208 -10.208 12.642 1.00 0.00 C ATOM 947 CE1 HIS A 57 3.780 -12.219 11.957 1.00 0.00 C ATOM 948 NE2 HIS A 57 3.941 -11.351 12.960 1.00 0.00 N ATOM 0 H HIS A 57 -0.314 -8.263 9.880 1.00 0.00 H new ATOM 0 HA HIS A 57 0.076 -11.004 10.361 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.867 -9.413 9.724 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.657 -8.534 11.225 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.151 -9.301 13.225 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.241 -13.194 11.904 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.497 -11.497 13.802 1.00 0.00 H new ATOM 956 N GLN A 58 -0.586 -9.170 13.050 1.00 0.00 N ATOM 957 CA GLN A 58 -1.063 -9.256 14.437 1.00 0.00 C ATOM 958 C GLN A 58 -2.241 -10.257 14.561 1.00 0.00 C ATOM 959 O GLN A 58 -2.332 -10.993 15.546 1.00 0.00 O ATOM 960 CB GLN A 58 -1.491 -7.867 14.958 1.00 0.00 C ATOM 961 CG GLN A 58 -0.329 -6.886 15.231 1.00 0.00 C ATOM 962 CD GLN A 58 0.881 -7.558 15.880 1.00 0.00 C ATOM 963 OE1 GLN A 58 1.976 -7.668 15.151 1.00 0.00 O flip ATOM 964 NE2 GLN A 58 0.829 -8.007 17.015 1.00 0.00 N flip ATOM 0 H GLN A 58 -0.561 -8.223 12.673 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.237 -9.619 15.048 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.165 -7.415 14.231 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.058 -8.000 15.879 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.022 -6.426 14.292 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.683 -6.084 15.879 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.026 -7.912 17.562 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.641 -8.477 17.415 1.00 0.00 H new ATOM 973 N ARG A 59 -3.142 -10.279 13.557 1.00 0.00 N ATOM 974 CA ARG A 59 -4.305 -11.205 13.575 1.00 0.00 C ATOM 975 C ARG A 59 -3.847 -12.670 13.733 1.00 0.00 C ATOM 976 O ARG A 59 -4.528 -13.468 14.368 1.00 0.00 O ATOM 977 CB ARG A 59 -5.136 -11.060 12.284 1.00 0.00 C ATOM 978 CG ARG A 59 -5.649 -9.630 12.067 1.00 0.00 C ATOM 979 CD ARG A 59 -6.484 -9.470 10.792 1.00 0.00 C ATOM 980 NE ARG A 59 -6.514 -8.052 10.386 1.00 0.00 N ATOM 981 CZ ARG A 59 -6.547 -7.586 9.143 1.00 0.00 C ATOM 982 NH1 ARG A 59 -6.845 -8.342 8.110 1.00 0.00 N ATOM 983 NH2 ARG A 59 -6.255 -6.324 8.918 1.00 0.00 N ATOM 0 H ARG A 59 -3.093 -9.678 12.734 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.924 -10.938 14.431 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.527 -11.357 11.430 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.984 -11.744 12.324 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.251 -9.333 12.926 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.799 -8.950 12.023 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.062 -10.078 9.992 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.499 -9.830 10.964 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.509 -7.360 11.135 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.063 -9.329 8.246 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.858 -7.942 7.172 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.006 -5.712 9.695 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.278 -5.957 7.967 1.00 0.00 H new ATOM 997 N ARG A 60 -2.672 -13.007 13.166 1.00 0.00 N ATOM 998 CA ARG A 60 -2.116 -14.376 13.266 1.00 0.00 C ATOM 999 C ARG A 60 -1.692 -14.702 14.715 1.00 0.00 C ATOM 1000 O ARG A 60 -1.785 -15.847 15.145 1.00 0.00 O ATOM 1001 CB ARG A 60 -0.903 -14.519 12.327 1.00 0.00 C ATOM 1002 CG ARG A 60 -0.328 -15.944 12.269 1.00 0.00 C ATOM 1003 CD ARG A 60 0.841 -15.936 11.272 1.00 0.00 C ATOM 1004 NE ARG A 60 1.550 -17.212 11.032 1.00 0.00 N ATOM 1005 CZ ARG A 60 1.167 -18.487 11.040 1.00 0.00 C ATOM 1006 NH1 ARG A 60 -0.011 -18.920 11.433 1.00 0.00 N ATOM 1007 NH2 ARG A 60 2.017 -19.402 10.636 1.00 0.00 N ATOM 0 H ARG A 60 -2.091 -12.357 12.637 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.894 -15.079 12.970 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.195 -14.214 11.322 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.120 -13.834 12.653 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.013 -16.259 13.255 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.094 -16.653 11.955 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.463 -15.578 10.315 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.572 -15.206 11.619 1.00 0.00 H new ATOM 0 HE ARG A 60 2.539 -17.089 10.815 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.713 -18.258 11.764 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.223 -19.917 11.406 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.949 -19.130 10.324 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.745 -20.385 10.634 1.00 0.00 H new ATOM 1021 N HIS A 61 -1.249 -13.679 15.460 1.00 0.00 N ATOM 1022 CA HIS A 61 -0.838 -13.858 16.866 1.00 0.00 C ATOM 1023 C HIS A 61 -2.052 -13.769 17.808 1.00 0.00 C ATOM 1024 O HIS A 61 -2.072 -14.391 18.867 1.00 0.00 O ATOM 1025 CB HIS A 61 0.188 -12.778 17.253 1.00 0.00 C ATOM 1026 CG HIS A 61 1.591 -13.014 16.758 1.00 0.00 C ATOM 1027 ND1 HIS A 61 2.378 -14.103 17.064 1.00 0.00 N ATOM 1028 CD2 HIS A 61 2.367 -12.123 16.062 1.00 0.00 C ATOM 1029 CE1 HIS A 61 3.602 -13.874 16.553 1.00 0.00 C ATOM 1030 NE2 HIS A 61 3.636 -12.686 15.940 1.00 0.00 N ATOM 0 H HIS A 61 -1.165 -12.722 15.117 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.389 -14.846 16.966 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.158 -11.818 16.870 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.213 -12.697 18.340 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.086 -14.931 17.583 1.00 0.00 H new ATOM 0 HD2 HIS A 61 2.053 -11.163 15.679 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.438 -14.553 16.628 1.00 0.00 H new ATOM 1038 N THR A 62 -3.021 -12.928 17.438 1.00 0.00 N ATOM 1039 CA THR A 62 -4.162 -12.602 18.317 1.00 0.00 C ATOM 1040 C THR A 62 -5.379 -13.504 18.025 1.00 0.00 C ATOM 1041 O THR A 62 -6.342 -13.516 18.788 1.00 0.00 O ATOM 1042 CB THR A 62 -4.586 -11.139 18.120 1.00 0.00 C ATOM 1043 OG1 THR A 62 -4.797 -10.893 16.753 1.00 0.00 O ATOM 1044 CG2 THR A 62 -3.507 -10.142 18.533 1.00 0.00 C ATOM 0 H THR A 62 -3.044 -12.456 16.534 1.00 0.00 H new ATOM 0 HA THR A 62 -3.833 -12.767 19.343 1.00 0.00 H new ATOM 0 HB THR A 62 -5.477 -11.006 18.734 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.934 -10.775 16.305 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.868 -9.127 18.370 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.271 -10.278 19.588 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.610 -10.309 17.936 1.00 0.00 H new ATOM 1052 N GLY A 63 -5.338 -14.228 16.897 1.00 0.00 N ATOM 1053 CA GLY A 63 -6.469 -15.075 16.483 1.00 0.00 C ATOM 1054 C GLY A 63 -7.680 -14.248 16.001 1.00 0.00 C ATOM 1055 O GLY A 63 -8.785 -14.777 15.867 1.00 0.00 O ATOM 0 H GLY A 63 -4.542 -14.245 16.259 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.146 -15.741 15.683 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.773 -15.705 17.319 1.00 0.00 H new ATOM 1059 N VAL A 64 -7.463 -12.944 15.764 1.00 0.00 N ATOM 1060 CA VAL A 64 -8.547 -12.025 15.380 1.00 0.00 C ATOM 1061 C VAL A 64 -9.090 -12.368 13.980 1.00 0.00 C ATOM 1062 O VAL A 64 -8.455 -12.079 12.964 1.00 0.00 O ATOM 1063 CB VAL A 64 -8.036 -10.564 15.410 1.00 0.00 C ATOM 1064 CG1 VAL A 64 -8.924 -9.525 14.708 1.00 0.00 C ATOM 1065 CG2 VAL A 64 -7.943 -10.119 16.876 1.00 0.00 C ATOM 0 H VAL A 64 -6.546 -12.502 15.832 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.361 -12.135 16.097 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.087 -10.589 14.874 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.467 -8.539 14.793 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.028 -9.787 13.655 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -9.908 -9.511 15.177 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.584 -9.091 16.922 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -8.928 -10.181 17.338 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.250 -10.769 17.410 1.00 0.00 H new ATOM 1075 N LYS A 65 -10.293 -12.967 13.949 1.00 0.00 N ATOM 1076 CA LYS A 65 -10.992 -13.274 12.690 1.00 0.00 C ATOM 1077 C LYS A 65 -12.374 -12.582 12.665 1.00 0.00 C ATOM 1078 O LYS A 65 -13.379 -13.174 13.054 1.00 0.00 O ATOM 1079 CB LYS A 65 -11.165 -14.803 12.542 1.00 0.00 C ATOM 1080 CG LYS A 65 -9.829 -15.550 12.378 1.00 0.00 C ATOM 1081 CD LYS A 65 -9.965 -17.081 12.403 1.00 0.00 C ATOM 1082 CE LYS A 65 -10.525 -17.641 13.718 1.00 0.00 C ATOM 1083 NZ LYS A 65 -9.619 -17.400 14.859 1.00 0.00 N ATOM 0 H LYS A 65 -10.803 -13.249 14.786 1.00 0.00 H new ATOM 0 HA LYS A 65 -10.396 -12.901 11.857 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -11.685 -15.190 13.418 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -11.798 -15.009 11.679 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.370 -15.251 11.436 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.151 -15.242 13.174 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.614 -17.390 11.584 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.986 -17.525 12.220 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.493 -17.184 13.922 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.695 -18.712 13.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.030 -17.810 15.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.697 -17.844 14.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.490 -16.376 14.990 1.00 0.00 H new ATOM 1097 N PRO A 66 -12.413 -11.283 12.291 1.00 0.00 N ATOM 1098 CA PRO A 66 -13.627 -10.478 12.369 1.00 0.00 C ATOM 1099 C PRO A 66 -14.528 -10.627 11.129 1.00 0.00 C ATOM 1100 O PRO A 66 -15.712 -10.296 11.176 1.00 0.00 O ATOM 1101 CB PRO A 66 -13.096 -9.044 12.478 1.00 0.00 C ATOM 1102 CG PRO A 66 -11.811 -9.075 11.646 1.00 0.00 C ATOM 1103 CD PRO A 66 -11.265 -10.485 11.884 1.00 0.00 C ATOM 0 HA PRO A 66 -14.257 -10.782 13.205 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.811 -8.320 12.086 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.897 -8.767 13.513 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.012 -8.896 10.590 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.104 -8.311 11.970 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.808 -10.887 10.979 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.495 -10.483 12.656 1.00 0.00 H new ATOM 1111 N PHE A 67 -13.957 -11.116 10.017 1.00 0.00 N ATOM 1112 CA PHE A 67 -14.700 -11.230 8.758 1.00 0.00 C ATOM 1113 C PHE A 67 -15.576 -12.496 8.754 1.00 0.00 C ATOM 1114 O PHE A 67 -15.157 -13.542 8.279 1.00 0.00 O ATOM 1115 CB PHE A 67 -13.716 -11.264 7.565 1.00 0.00 C ATOM 1116 CG PHE A 67 -12.950 -9.971 7.341 1.00 0.00 C ATOM 1117 CD1 PHE A 67 -13.522 -8.919 6.598 1.00 0.00 C ATOM 1118 CD2 PHE A 67 -11.662 -9.810 7.884 1.00 0.00 C ATOM 1119 CE1 PHE A 67 -12.828 -7.706 6.440 1.00 0.00 C ATOM 1120 CE2 PHE A 67 -10.955 -8.609 7.706 1.00 0.00 C ATOM 1121 CZ PHE A 67 -11.541 -7.553 6.988 1.00 0.00 C ATOM 0 H PHE A 67 -12.990 -11.436 9.966 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.351 -10.361 8.662 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -13.001 -12.072 7.723 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -14.272 -11.503 6.659 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -14.496 -9.045 6.149 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -11.213 -10.617 8.443 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -13.283 -6.891 5.897 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -9.964 -8.498 8.120 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.004 -6.625 6.857 1.00 0.00 H new ATOM 1131 N GLN A 68 -16.780 -12.398 9.329 1.00 0.00 N ATOM 1132 CA GLN A 68 -17.649 -13.580 9.465 1.00 0.00 C ATOM 1133 C GLN A 68 -18.562 -13.731 8.249 1.00 0.00 C ATOM 1134 O GLN A 68 -19.232 -12.783 7.836 1.00 0.00 O ATOM 1135 CB GLN A 68 -18.510 -13.440 10.736 1.00 0.00 C ATOM 1136 CG GLN A 68 -19.463 -14.627 10.949 1.00 0.00 C ATOM 1137 CD GLN A 68 -20.223 -14.566 12.274 1.00 0.00 C ATOM 1138 OE1 GLN A 68 -19.667 -14.262 13.319 1.00 0.00 O ATOM 1139 NE2 GLN A 68 -21.508 -14.873 12.309 1.00 0.00 N ATOM 0 H GLN A 68 -17.172 -11.533 9.702 1.00 0.00 H new ATOM 0 HA GLN A 68 -17.018 -14.466 9.536 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -17.856 -13.346 11.603 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.092 -12.520 10.675 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -20.180 -14.659 10.129 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -18.891 -15.554 10.909 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -21.995 -15.130 11.450 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -22.013 -14.853 13.195 1.00 0.00 H new ATOM 1148 N CYS A 69 -18.585 -14.947 7.684 1.00 0.00 N ATOM 1149 CA CYS A 69 -19.412 -15.247 6.521 1.00 0.00 C ATOM 1150 C CYS A 69 -20.906 -15.125 6.865 1.00 0.00 C ATOM 1151 O CYS A 69 -21.391 -15.751 7.808 1.00 0.00 O ATOM 1152 CB CYS A 69 -19.115 -16.664 6.023 1.00 0.00 C ATOM 1153 SG CYS A 69 -20.328 -17.111 4.748 1.00 0.00 S ATOM 0 H CYS A 69 -18.035 -15.738 8.020 1.00 0.00 H new ATOM 0 HA CYS A 69 -19.175 -14.526 5.738 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -18.105 -16.716 5.616 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -19.162 -17.371 6.851 1.00 0.00 H new ATOM 0 HG CYS A 69 -19.893 -18.134 4.075 1.00 0.00 H new ATOM 1158 N LYS A 70 -21.621 -14.293 6.099 1.00 0.00 N ATOM 1159 CA LYS A 70 -23.059 -14.065 6.318 1.00 0.00 C ATOM 1160 C LYS A 70 -23.869 -15.387 6.238 1.00 0.00 C ATOM 1161 O LYS A 70 -24.944 -15.491 6.828 1.00 0.00 O ATOM 1162 CB LYS A 70 -23.595 -13.066 5.271 1.00 0.00 C ATOM 1163 CG LYS A 70 -23.394 -13.414 3.778 1.00 0.00 C ATOM 1164 CD LYS A 70 -22.007 -13.066 3.190 1.00 0.00 C ATOM 1165 CE LYS A 70 -21.096 -14.267 2.894 1.00 0.00 C ATOM 1166 NZ LYS A 70 -21.656 -15.140 1.847 1.00 0.00 N ATOM 0 H LYS A 70 -21.229 -13.764 5.320 1.00 0.00 H new ATOM 0 HA LYS A 70 -23.182 -13.655 7.321 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -24.663 -12.939 5.445 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -23.124 -12.100 5.457 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -23.567 -14.482 3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -24.156 -12.894 3.197 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -22.153 -12.506 2.266 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -21.492 -12.404 3.886 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -20.115 -13.909 2.581 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -20.949 -14.844 3.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -20.890 -15.477 1.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -22.127 -15.955 2.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -22.347 -14.606 1.282 1.00 0.00 H new ATOM 1180 N THR A 71 -23.335 -16.385 5.515 1.00 0.00 N ATOM 1181 CA THR A 71 -24.019 -17.681 5.335 1.00 0.00 C ATOM 1182 C THR A 71 -23.446 -18.737 6.289 1.00 0.00 C ATOM 1183 O THR A 71 -24.159 -19.258 7.151 1.00 0.00 O ATOM 1184 CB THR A 71 -23.865 -18.195 3.876 1.00 0.00 C ATOM 1185 OG1 THR A 71 -22.977 -17.430 3.100 1.00 0.00 O ATOM 1186 CG2 THR A 71 -25.179 -18.153 3.108 1.00 0.00 C ATOM 0 H THR A 71 -22.432 -16.321 5.045 1.00 0.00 H new ATOM 0 HA THR A 71 -25.075 -17.522 5.555 1.00 0.00 H new ATOM 0 HB THR A 71 -23.493 -19.211 4.009 1.00 0.00 H new ATOM 0 HG1 THR A 71 -22.092 -17.430 3.521 1.00 0.00 H new ATOM 0 HG21 THR A 71 -25.020 -18.522 2.095 1.00 0.00 H new ATOM 0 HG22 THR A 71 -25.915 -18.780 3.611 1.00 0.00 H new ATOM 0 HG23 THR A 71 -25.544 -17.127 3.068 1.00 0.00 H new ATOM 1194 N CYS A 72 -22.158 -19.049 6.120 1.00 0.00 N ATOM 1195 CA CYS A 72 -21.503 -20.127 6.863 1.00 0.00 C ATOM 1196 C CYS A 72 -21.258 -19.738 8.331 1.00 0.00 C ATOM 1197 O CYS A 72 -20.941 -20.594 9.157 1.00 0.00 O ATOM 1198 CB CYS A 72 -20.161 -20.453 6.196 1.00 0.00 C ATOM 1199 SG CYS A 72 -20.470 -21.158 4.585 1.00 0.00 S ATOM 0 H CYS A 72 -21.543 -18.563 5.467 1.00 0.00 H new ATOM 0 HA CYS A 72 -22.160 -20.997 6.850 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -19.558 -19.550 6.103 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -19.595 -21.153 6.811 1.00 0.00 H new ATOM 0 HG CYS A 72 -19.419 -21.813 4.189 1.00 0.00 H new ATOM 1204 N GLN A 73 -21.288 -18.424 8.616 1.00 0.00 N ATOM 1205 CA GLN A 73 -20.861 -17.881 9.931 1.00 0.00 C ATOM 1206 C GLN A 73 -19.362 -18.171 10.191 1.00 0.00 C ATOM 1207 O GLN A 73 -18.854 -17.934 11.289 1.00 0.00 O ATOM 1208 CB GLN A 73 -21.726 -18.470 11.070 1.00 0.00 C ATOM 1209 CG GLN A 73 -23.241 -18.419 10.791 1.00 0.00 C ATOM 1210 CD GLN A 73 -23.701 -17.104 10.157 1.00 0.00 C ATOM 1211 OE1 GLN A 73 -23.456 -16.020 10.678 1.00 0.00 O ATOM 1212 NE2 GLN A 73 -24.343 -17.176 9.005 1.00 0.00 N ATOM 0 H GLN A 73 -21.603 -17.712 7.956 1.00 0.00 H new ATOM 0 HA GLN A 73 -21.001 -16.800 9.909 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -21.432 -19.506 11.238 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -21.517 -17.926 11.991 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -23.509 -19.244 10.131 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -23.780 -18.570 11.726 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -24.538 -18.085 8.586 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -24.643 -16.322 8.534 1.00 0.00 H new ATOM 1221 N ARG A 74 -18.662 -18.673 9.157 1.00 0.00 N ATOM 1222 CA ARG A 74 -17.242 -18.969 9.252 1.00 0.00 C ATOM 1223 C ARG A 74 -16.437 -17.685 9.359 1.00 0.00 C ATOM 1224 O ARG A 74 -16.557 -16.794 8.518 1.00 0.00 O ATOM 1225 CB ARG A 74 -16.783 -19.772 8.020 1.00 0.00 C ATOM 1226 CG ARG A 74 -15.319 -20.211 8.210 1.00 0.00 C ATOM 1227 CD ARG A 74 -14.882 -21.275 7.202 1.00 0.00 C ATOM 1228 NE ARG A 74 -13.511 -21.737 7.495 1.00 0.00 N ATOM 1229 CZ ARG A 74 -13.162 -22.764 8.266 1.00 0.00 C ATOM 1230 NH1 ARG A 74 -14.043 -23.483 8.928 1.00 0.00 N ATOM 1231 NH2 ARG A 74 -11.898 -23.100 8.389 1.00 0.00 N ATOM 0 H ARG A 74 -19.071 -18.879 8.245 1.00 0.00 H new ATOM 0 HA ARG A 74 -17.074 -19.565 10.149 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -17.421 -20.645 7.883 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -16.878 -19.164 7.120 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -14.669 -19.341 8.117 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -15.189 -20.599 9.220 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -15.571 -22.119 7.235 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -14.926 -20.867 6.192 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.751 -21.214 7.061 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -15.036 -23.261 8.861 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.733 -24.262 9.508 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -11.180 -22.573 7.893 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.635 -23.888 8.981 1.00 0.00 H new ATOM 1245 N LYS A 75 -15.660 -17.570 10.435 1.00 0.00 N ATOM 1246 CA LYS A 75 -14.908 -16.357 10.715 1.00 0.00 C ATOM 1247 C LYS A 75 -13.539 -16.393 10.032 1.00 0.00 C ATOM 1248 O LYS A 75 -12.745 -17.306 10.255 1.00 0.00 O ATOM 1249 CB LYS A 75 -14.727 -16.202 12.231 1.00 0.00 C ATOM 1250 CG LYS A 75 -16.062 -15.862 12.908 1.00 0.00 C ATOM 1251 CD LYS A 75 -15.895 -15.624 14.414 1.00 0.00 C ATOM 1252 CE LYS A 75 -17.232 -15.260 15.069 1.00 0.00 C ATOM 1253 NZ LYS A 75 -18.190 -16.385 15.042 1.00 0.00 N ATOM 0 H LYS A 75 -15.537 -18.309 11.128 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.465 -15.506 10.323 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.326 -17.125 12.650 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.000 -15.417 12.436 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -16.488 -14.972 12.445 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -16.769 -16.675 12.745 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.489 -16.520 14.884 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.175 -14.823 14.581 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -17.058 -14.957 16.102 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -17.666 -14.403 14.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -19.012 -16.127 14.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.728 -17.225 14.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -18.505 -16.596 16.010 1.00 0.00 H new ATOM 1267 N PHE A 76 -13.267 -15.367 9.227 1.00 0.00 N ATOM 1268 CA PHE A 76 -11.990 -15.216 8.536 1.00 0.00 C ATOM 1269 C PHE A 76 -11.239 -13.985 9.062 1.00 0.00 C ATOM 1270 O PHE A 76 -11.830 -13.105 9.692 1.00 0.00 O ATOM 1271 CB PHE A 76 -12.238 -15.057 7.017 1.00 0.00 C ATOM 1272 CG PHE A 76 -12.936 -16.222 6.341 1.00 0.00 C ATOM 1273 CD1 PHE A 76 -12.207 -17.378 6.001 1.00 0.00 C ATOM 1274 CD2 PHE A 76 -14.310 -16.144 6.033 1.00 0.00 C ATOM 1275 CE1 PHE A 76 -12.851 -18.455 5.365 1.00 0.00 C ATOM 1276 CE2 PHE A 76 -14.955 -17.225 5.406 1.00 0.00 C ATOM 1277 CZ PHE A 76 -14.225 -18.381 5.079 1.00 0.00 C ATOM 0 H PHE A 76 -13.929 -14.615 9.036 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.385 -16.104 8.720 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -12.833 -14.158 6.856 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.279 -14.897 6.525 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.153 -17.438 6.229 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -14.868 -15.253 6.279 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -12.290 -19.338 5.097 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -16.009 -17.167 5.176 1.00 0.00 H new ATOM 0 HZ PHE A 76 -14.722 -19.215 4.606 1.00 0.00 H new ATOM 1287 N SER A 77 -9.933 -13.928 8.794 1.00 0.00 N ATOM 1288 CA SER A 77 -9.087 -12.832 9.285 1.00 0.00 C ATOM 1289 C SER A 77 -8.804 -11.800 8.186 1.00 0.00 C ATOM 1290 O SER A 77 -8.212 -10.754 8.455 1.00 0.00 O ATOM 1291 CB SER A 77 -7.754 -13.398 9.802 1.00 0.00 C ATOM 1292 OG SER A 77 -7.204 -14.258 8.813 1.00 0.00 O ATOM 0 H SER A 77 -9.436 -14.626 8.240 1.00 0.00 H new ATOM 0 HA SER A 77 -9.624 -12.333 10.092 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.061 -12.587 10.024 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.912 -13.945 10.731 1.00 0.00 H new ATOM 0 HG SER A 77 -6.353 -14.622 9.133 1.00 0.00 H new ATOM 1298 N ARG A 78 -9.232 -12.096 6.942 1.00 0.00 N ATOM 1299 CA ARG A 78 -8.965 -11.210 5.799 1.00 0.00 C ATOM 1300 C ARG A 78 -10.203 -11.060 4.915 1.00 0.00 C ATOM 1301 O ARG A 78 -10.921 -12.032 4.654 1.00 0.00 O ATOM 1302 CB ARG A 78 -7.799 -11.766 4.963 1.00 0.00 C ATOM 1303 CG ARG A 78 -6.578 -12.140 5.820 1.00 0.00 C ATOM 1304 CD ARG A 78 -5.253 -11.936 5.101 1.00 0.00 C ATOM 1305 NE ARG A 78 -5.179 -12.632 3.812 1.00 0.00 N ATOM 1306 CZ ARG A 78 -4.061 -13.013 3.217 1.00 0.00 C ATOM 1307 NH1 ARG A 78 -2.920 -13.014 3.863 1.00 0.00 N ATOM 1308 NH2 ARG A 78 -4.111 -13.340 1.948 1.00 0.00 N ATOM 0 H ARG A 78 -9.760 -12.937 6.708 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.700 -10.228 6.190 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.137 -12.646 4.416 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.503 -11.024 4.221 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.585 -11.541 6.731 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.662 -13.183 6.124 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.096 -10.870 4.940 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.443 -12.285 5.741 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.058 -12.838 3.338 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.886 -12.718 4.839 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.066 -13.311 3.390 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.997 -13.297 1.445 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.264 -13.637 1.464 1.00 0.00 H new ATOM 1322 N SER A 79 -10.392 -9.850 4.385 1.00 0.00 N ATOM 1323 CA SER A 79 -11.490 -9.564 3.462 1.00 0.00 C ATOM 1324 C SER A 79 -11.326 -10.352 2.153 1.00 0.00 C ATOM 1325 O SER A 79 -12.298 -10.840 1.600 1.00 0.00 O ATOM 1326 CB SER A 79 -11.538 -8.064 3.160 1.00 0.00 C ATOM 1327 OG SER A 79 -10.264 -7.596 2.749 1.00 0.00 O ATOM 0 H SER A 79 -9.794 -9.048 4.582 1.00 0.00 H new ATOM 0 HA SER A 79 -12.423 -9.871 3.934 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.273 -7.868 2.379 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.863 -7.519 4.047 1.00 0.00 H new ATOM 0 HG SER A 79 -10.314 -6.636 2.559 1.00 0.00 H new ATOM 1333 N ASP A 80 -10.082 -10.459 1.663 1.00 0.00 N ATOM 1334 CA ASP A 80 -9.798 -11.177 0.407 1.00 0.00 C ATOM 1335 C ASP A 80 -10.128 -12.704 0.539 1.00 0.00 C ATOM 1336 O ASP A 80 -10.668 -13.308 -0.391 1.00 0.00 O ATOM 1337 CB ASP A 80 -8.323 -10.975 0.012 1.00 0.00 C ATOM 1338 CG ASP A 80 -7.266 -11.378 1.045 1.00 0.00 C ATOM 1339 OD1 ASP A 80 -6.993 -12.592 1.190 1.00 0.00 O ATOM 1340 OD2 ASP A 80 -6.710 -10.447 1.666 1.00 0.00 O ATOM 0 H ASP A 80 -9.258 -10.060 2.113 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.437 -10.767 -0.376 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -8.136 -11.539 -0.902 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.178 -9.922 -0.229 1.00 0.00 H new ATOM 1345 N HIS A 81 -9.897 -13.272 1.741 1.00 0.00 N ATOM 1346 CA HIS A 81 -10.316 -14.667 2.043 1.00 0.00 C ATOM 1347 C HIS A 81 -11.846 -14.770 2.096 1.00 0.00 C ATOM 1348 O HIS A 81 -12.425 -15.688 1.530 1.00 0.00 O ATOM 1349 CB HIS A 81 -9.730 -15.138 3.392 1.00 0.00 C ATOM 1350 CG HIS A 81 -8.280 -15.478 3.473 1.00 0.00 C ATOM 1351 ND1 HIS A 81 -7.377 -15.504 2.451 1.00 0.00 N ATOM 1352 CD2 HIS A 81 -7.626 -15.801 4.626 1.00 0.00 C ATOM 1353 CE1 HIS A 81 -6.204 -15.858 2.989 1.00 0.00 C ATOM 1354 NE2 HIS A 81 -6.292 -15.981 4.319 1.00 0.00 N ATOM 0 H HIS A 81 -9.429 -12.798 2.513 1.00 0.00 H new ATOM 0 HA HIS A 81 -9.936 -15.306 1.246 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.926 -14.357 4.126 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -10.292 -16.018 3.705 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.072 -15.899 5.605 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.300 -16.024 2.422 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -5.531 -16.169 4.971 1.00 0.00 H new ATOM 1362 N LEU A 82 -12.495 -13.818 2.788 1.00 0.00 N ATOM 1363 CA LEU A 82 -13.961 -13.820 2.921 1.00 0.00 C ATOM 1364 C LEU A 82 -14.641 -13.627 1.551 1.00 0.00 C ATOM 1365 O LEU A 82 -15.591 -14.331 1.221 1.00 0.00 O ATOM 1366 CB LEU A 82 -14.403 -12.707 3.884 1.00 0.00 C ATOM 1367 CG LEU A 82 -15.943 -12.662 4.042 1.00 0.00 C ATOM 1368 CD1 LEU A 82 -16.321 -12.398 5.492 1.00 0.00 C ATOM 1369 CD2 LEU A 82 -16.613 -11.581 3.182 1.00 0.00 C ATOM 0 H LEU A 82 -12.031 -13.042 3.261 1.00 0.00 H new ATOM 0 HA LEU A 82 -14.265 -14.787 3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.942 -12.865 4.859 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -14.047 -11.745 3.516 1.00 0.00 H new ATOM 0 HG LEU A 82 -16.299 -13.637 3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -17.407 -12.369 5.586 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -15.923 -13.193 6.122 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -15.904 -11.442 5.808 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -17.691 -11.605 3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -16.227 -10.601 3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -16.398 -11.768 2.130 1.00 0.00 H new ATOM 1381 N LYS A 83 -14.140 -12.668 0.762 1.00 0.00 N ATOM 1382 CA LYS A 83 -14.661 -12.409 -0.593 1.00 0.00 C ATOM 1383 C LYS A 83 -14.398 -13.608 -1.510 1.00 0.00 C ATOM 1384 O LYS A 83 -15.215 -13.932 -2.364 1.00 0.00 O ATOM 1385 CB LYS A 83 -13.992 -11.149 -1.173 1.00 0.00 C ATOM 1386 CG LYS A 83 -14.588 -10.690 -2.513 1.00 0.00 C ATOM 1387 CD LYS A 83 -13.996 -9.333 -2.926 1.00 0.00 C ATOM 1388 CE LYS A 83 -14.605 -8.795 -4.226 1.00 0.00 C ATOM 1389 NZ LYS A 83 -14.198 -9.596 -5.398 1.00 0.00 N ATOM 0 H LYS A 83 -13.372 -12.055 1.037 1.00 0.00 H new ATOM 0 HA LYS A 83 -15.738 -12.252 -0.530 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -14.079 -10.338 -0.450 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.928 -11.343 -1.307 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.382 -11.433 -3.283 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -15.672 -10.610 -2.428 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -14.160 -8.611 -2.126 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.918 -9.433 -3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -15.692 -8.796 -4.145 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -14.297 -7.759 -4.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.631 -9.200 -6.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.162 -9.574 -5.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.514 -10.579 -5.273 1.00 0.00 H new ATOM 1403 N THR A 84 -13.266 -14.285 -1.296 1.00 0.00 N ATOM 1404 CA THR A 84 -12.944 -15.509 -2.035 1.00 0.00 C ATOM 1405 C THR A 84 -13.906 -16.642 -1.649 1.00 0.00 C ATOM 1406 O THR A 84 -14.605 -17.188 -2.505 1.00 0.00 O ATOM 1407 CB THR A 84 -11.503 -15.946 -1.728 1.00 0.00 C ATOM 1408 OG1 THR A 84 -10.645 -14.994 -2.313 1.00 0.00 O ATOM 1409 CG2 THR A 84 -11.031 -17.331 -2.135 1.00 0.00 C ATOM 0 H THR A 84 -12.558 -14.006 -0.617 1.00 0.00 H new ATOM 0 HA THR A 84 -13.046 -15.301 -3.100 1.00 0.00 H new ATOM 0 HB THR A 84 -11.481 -16.005 -0.640 1.00 0.00 H new ATOM 0 HG1 THR A 84 -10.604 -14.197 -1.744 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.990 -17.463 -1.838 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.647 -18.084 -1.643 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.117 -17.442 -3.216 1.00 0.00 H new ATOM 1417 N HIS A 85 -14.072 -16.854 -0.339 1.00 0.00 N ATOM 1418 CA HIS A 85 -15.006 -17.850 0.179 1.00 0.00 C ATOM 1419 C HIS A 85 -16.453 -17.513 -0.234 1.00 0.00 C ATOM 1420 O HIS A 85 -17.236 -18.401 -0.547 1.00 0.00 O ATOM 1421 CB HIS A 85 -14.897 -17.908 1.711 1.00 0.00 C ATOM 1422 CG HIS A 85 -16.028 -18.651 2.357 1.00 0.00 C ATOM 1423 ND1 HIS A 85 -16.266 -20.008 2.306 1.00 0.00 N ATOM 1424 CD2 HIS A 85 -17.110 -18.054 2.934 1.00 0.00 C ATOM 1425 CE1 HIS A 85 -17.492 -20.224 2.808 1.00 0.00 C ATOM 1426 NE2 HIS A 85 -18.030 -19.063 3.182 1.00 0.00 N ATOM 0 H HIS A 85 -13.566 -16.343 0.384 1.00 0.00 H new ATOM 0 HA HIS A 85 -14.749 -18.822 -0.243 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -13.955 -18.384 1.984 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.866 -16.892 2.105 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -15.626 -20.719 1.951 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -17.228 -17.003 3.154 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -17.969 -21.189 2.895 1.00 0.00 H new ATOM 1434 N THR A 86 -16.759 -16.218 -0.312 1.00 0.00 N ATOM 1435 CA THR A 86 -18.080 -15.738 -0.748 1.00 0.00 C ATOM 1436 C THR A 86 -18.458 -16.332 -2.123 1.00 0.00 C ATOM 1437 O THR A 86 -19.613 -16.734 -2.338 1.00 0.00 O ATOM 1438 CB THR A 86 -18.104 -14.202 -0.831 1.00 0.00 C ATOM 1439 OG1 THR A 86 -17.966 -13.700 0.479 1.00 0.00 O ATOM 1440 CG2 THR A 86 -19.369 -13.559 -1.378 1.00 0.00 C ATOM 0 H THR A 86 -16.105 -15.471 -0.077 1.00 0.00 H new ATOM 0 HA THR A 86 -18.809 -16.067 -0.007 1.00 0.00 H new ATOM 0 HB THR A 86 -17.302 -13.957 -1.527 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.213 -14.144 0.922 1.00 0.00 H new ATOM 0 HG21 THR A 86 -19.254 -12.475 -1.383 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.545 -13.909 -2.395 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.217 -13.831 -0.749 1.00 0.00 H new ATOM 1448 N ARG A 87 -17.474 -16.403 -3.048 1.00 0.00 N ATOM 1449 CA ARG A 87 -17.721 -16.919 -4.415 1.00 0.00 C ATOM 1450 C ARG A 87 -18.181 -18.398 -4.376 1.00 0.00 C ATOM 1451 O ARG A 87 -18.887 -18.852 -5.272 1.00 0.00 O ATOM 1452 CB ARG A 87 -16.443 -16.783 -5.277 1.00 0.00 C ATOM 1453 CG ARG A 87 -16.123 -15.289 -5.505 1.00 0.00 C ATOM 1454 CD ARG A 87 -15.122 -14.972 -6.628 1.00 0.00 C ATOM 1455 NE ARG A 87 -13.730 -15.321 -6.303 1.00 0.00 N ATOM 1456 CZ ARG A 87 -12.866 -14.649 -5.554 1.00 0.00 C ATOM 1457 NH1 ARG A 87 -13.176 -13.551 -4.899 1.00 0.00 N ATOM 1458 NH2 ARG A 87 -11.644 -15.110 -5.432 1.00 0.00 N ATOM 0 H ARG A 87 -16.511 -16.113 -2.876 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.518 -16.325 -4.863 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -15.605 -17.272 -4.781 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -16.584 -17.285 -6.234 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -17.056 -14.768 -5.721 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -15.735 -14.876 -4.574 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -15.420 -15.509 -7.529 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -15.175 -13.908 -6.859 1.00 0.00 H new ATOM 0 HE ARG A 87 -13.385 -16.192 -6.706 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -14.123 -13.175 -4.953 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -12.470 -13.075 -4.338 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.374 -15.970 -5.909 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.964 -14.608 -4.861 1.00 0.00 H new ATOM 1472 N THR A 88 -17.844 -19.100 -3.281 1.00 0.00 N ATOM 1473 CA THR A 88 -18.327 -20.490 -3.049 1.00 0.00 C ATOM 1474 C THR A 88 -19.866 -20.557 -3.128 1.00 0.00 C ATOM 1475 O THR A 88 -20.418 -21.482 -3.717 1.00 0.00 O ATOM 1476 CB THR A 88 -17.892 -21.017 -1.666 1.00 0.00 C ATOM 1477 OG1 THR A 88 -16.554 -20.704 -1.385 1.00 0.00 O ATOM 1478 CG2 THR A 88 -18.054 -22.531 -1.554 1.00 0.00 C ATOM 0 H THR A 88 -17.243 -18.738 -2.541 1.00 0.00 H new ATOM 0 HA THR A 88 -17.884 -21.110 -3.829 1.00 0.00 H new ATOM 0 HB THR A 88 -18.546 -20.524 -0.947 1.00 0.00 H new ATOM 0 HG1 THR A 88 -16.519 -19.984 -0.721 1.00 0.00 H new ATOM 0 HG21 THR A 88 -17.736 -22.859 -0.564 1.00 0.00 H new ATOM 0 HG22 THR A 88 -19.100 -22.797 -1.706 1.00 0.00 H new ATOM 0 HG23 THR A 88 -17.442 -23.019 -2.312 1.00 0.00 H new ATOM 1486 N HIS A 89 -20.548 -19.545 -2.557 1.00 0.00 N ATOM 1487 CA HIS A 89 -22.024 -19.478 -2.599 1.00 0.00 C ATOM 1488 C HIS A 89 -22.506 -18.787 -3.883 1.00 0.00 C ATOM 1489 O HIS A 89 -23.664 -18.922 -4.269 1.00 0.00 O ATOM 1490 CB HIS A 89 -22.559 -18.697 -1.382 1.00 0.00 C ATOM 1491 CG HIS A 89 -21.787 -18.767 -0.096 1.00 0.00 C ATOM 1492 ND1 HIS A 89 -20.747 -17.932 0.233 1.00 0.00 N ATOM 1493 CD2 HIS A 89 -22.056 -19.556 0.987 1.00 0.00 C ATOM 1494 CE1 HIS A 89 -20.381 -18.216 1.496 1.00 0.00 C ATOM 1495 NE2 HIS A 89 -21.137 -19.206 1.977 1.00 0.00 N ATOM 0 H HIS A 89 -20.106 -18.768 -2.065 1.00 0.00 H new ATOM 0 HA HIS A 89 -22.403 -20.500 -2.578 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -22.635 -17.648 -1.667 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -23.572 -19.047 -1.181 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -22.830 -20.305 1.062 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -19.593 -17.717 2.040 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -21.057 -19.630 2.901 1.00 0.00 H new ATOM 1503 N THR A 90 -21.630 -17.971 -4.480 1.00 0.00 N ATOM 1504 CA THR A 90 -22.024 -17.080 -5.584 1.00 0.00 C ATOM 1505 C THR A 90 -21.816 -17.755 -6.960 1.00 0.00 C ATOM 1506 O THR A 90 -22.231 -17.220 -7.983 1.00 0.00 O ATOM 1507 CB THR A 90 -21.193 -15.777 -5.544 1.00 0.00 C ATOM 1508 OG1 THR A 90 -21.071 -15.284 -4.218 1.00 0.00 O ATOM 1509 CG2 THR A 90 -21.775 -14.614 -6.342 1.00 0.00 C ATOM 0 H THR A 90 -20.646 -17.907 -4.220 1.00 0.00 H new ATOM 0 HA THR A 90 -23.083 -16.856 -5.456 1.00 0.00 H new ATOM 0 HB THR A 90 -20.243 -16.081 -5.983 1.00 0.00 H new ATOM 0 HG1 THR A 90 -20.481 -15.873 -3.703 1.00 0.00 H new ATOM 0 HG21 THR A 90 -21.121 -13.747 -6.251 1.00 0.00 H new ATOM 0 HG22 THR A 90 -21.858 -14.898 -7.391 1.00 0.00 H new ATOM 0 HG23 THR A 90 -22.763 -14.365 -5.954 1.00 0.00 H new ATOM 1517 N GLY A 91 -21.205 -18.956 -6.966 1.00 0.00 N ATOM 1518 CA GLY A 91 -20.942 -19.682 -8.227 1.00 0.00 C ATOM 1519 C GLY A 91 -20.027 -18.888 -9.188 1.00 0.00 C ATOM 1520 O GLY A 91 -19.955 -19.188 -10.379 1.00 0.00 O ATOM 0 H GLY A 91 -20.888 -19.439 -6.126 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -20.479 -20.642 -8.000 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -21.888 -19.894 -8.724 1.00 0.00 H new ATOM 1524 N GLU A 92 -19.363 -17.854 -8.659 1.00 0.00 N ATOM 1525 CA GLU A 92 -18.580 -16.931 -9.477 1.00 0.00 C ATOM 1526 C GLU A 92 -17.193 -17.518 -9.792 1.00 0.00 C ATOM 1527 O GLU A 92 -16.263 -17.404 -8.992 1.00 0.00 O ATOM 1528 CB GLU A 92 -18.432 -15.588 -8.740 1.00 0.00 C ATOM 1529 CG GLU A 92 -17.831 -14.474 -9.605 1.00 0.00 C ATOM 1530 CD GLU A 92 -17.858 -13.138 -8.859 1.00 0.00 C ATOM 1531 OE1 GLU A 92 -18.963 -12.561 -8.753 1.00 0.00 O ATOM 1532 OE2 GLU A 92 -16.776 -12.719 -8.388 1.00 0.00 O ATOM 0 H GLU A 92 -19.355 -17.638 -7.662 1.00 0.00 H new ATOM 0 HA GLU A 92 -19.102 -16.772 -10.420 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -19.411 -15.270 -8.382 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -17.803 -15.733 -7.861 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -16.805 -14.727 -9.872 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -18.390 -14.388 -10.537 1.00 0.00 H new ATOM 1539 N LYS A 93 -17.068 -18.141 -10.976 1.00 0.00 N ATOM 1540 CA LYS A 93 -15.795 -18.730 -11.424 1.00 0.00 C ATOM 1541 C LYS A 93 -15.347 -18.102 -12.764 1.00 0.00 C ATOM 1542 O LYS A 93 -15.642 -18.633 -13.835 1.00 0.00 O ATOM 1543 CB LYS A 93 -15.948 -20.258 -11.585 1.00 0.00 C ATOM 1544 CG LYS A 93 -16.405 -20.955 -10.291 1.00 0.00 C ATOM 1545 CD LYS A 93 -16.086 -22.454 -10.270 1.00 0.00 C ATOM 1546 CE LYS A 93 -16.775 -23.217 -11.405 1.00 0.00 C ATOM 1547 NZ LYS A 93 -16.262 -24.598 -11.495 1.00 0.00 N ATOM 0 H LYS A 93 -17.834 -18.250 -11.641 1.00 0.00 H new ATOM 0 HA LYS A 93 -15.034 -18.523 -10.671 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -16.668 -20.464 -12.376 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.995 -20.682 -11.903 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -15.925 -20.476 -9.438 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -17.479 -20.817 -10.171 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -15.008 -22.594 -10.345 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -16.396 -22.875 -9.313 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -17.852 -23.234 -11.236 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -16.609 -22.700 -12.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -16.864 -25.151 -12.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -15.288 -24.583 -11.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -16.272 -25.034 -10.551 1.00 0.00 H new ATOM 1561 N PRO A 94 -14.674 -16.929 -12.711 1.00 0.00 N ATOM 1562 CA PRO A 94 -14.286 -16.188 -13.907 1.00 0.00 C ATOM 1563 C PRO A 94 -12.958 -16.685 -14.523 1.00 0.00 C ATOM 1564 O PRO A 94 -12.672 -16.408 -15.687 1.00 0.00 O ATOM 1565 CB PRO A 94 -14.140 -14.748 -13.404 1.00 0.00 C ATOM 1566 CG PRO A 94 -13.649 -14.916 -11.964 1.00 0.00 C ATOM 1567 CD PRO A 94 -14.349 -16.193 -11.497 1.00 0.00 C ATOM 0 HA PRO A 94 -15.019 -16.306 -14.705 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.429 -14.183 -14.007 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -15.088 -14.212 -13.444 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.564 -15.013 -11.918 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.919 -14.060 -11.345 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.701 -16.779 -10.845 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -15.249 -15.961 -10.927 1.00 0.00 H new ATOM 1575 N PHE A 95 -12.140 -17.400 -13.729 1.00 0.00 N ATOM 1576 CA PHE A 95 -10.817 -17.852 -14.195 1.00 0.00 C ATOM 1577 C PHE A 95 -10.942 -19.128 -15.049 1.00 0.00 C ATOM 1578 O PHE A 95 -10.635 -20.226 -14.591 1.00 0.00 O ATOM 1579 CB PHE A 95 -9.892 -18.112 -12.998 1.00 0.00 C ATOM 1580 CG PHE A 95 -9.609 -16.887 -12.162 1.00 0.00 C ATOM 1581 CD1 PHE A 95 -8.668 -15.930 -12.590 1.00 0.00 C ATOM 1582 CD2 PHE A 95 -10.303 -16.698 -10.959 1.00 0.00 C ATOM 1583 CE1 PHE A 95 -8.422 -14.785 -11.810 1.00 0.00 C ATOM 1584 CE2 PHE A 95 -10.068 -15.546 -10.185 1.00 0.00 C ATOM 1585 CZ PHE A 95 -9.128 -14.590 -10.610 1.00 0.00 C ATOM 0 H PHE A 95 -12.368 -17.674 -12.773 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.388 -17.064 -14.813 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -10.342 -18.876 -12.364 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.948 -18.516 -13.363 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.135 -16.075 -13.518 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -11.018 -17.436 -10.626 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.692 -14.057 -12.133 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -10.610 -15.396 -9.263 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.949 -13.707 -10.015 1.00 0.00 H new ATOM 1595 N SER A 96 -11.392 -18.962 -16.296 1.00 0.00 N ATOM 1596 CA SER A 96 -11.513 -20.082 -17.242 1.00 0.00 C ATOM 1597 C SER A 96 -10.154 -20.440 -17.843 1.00 0.00 C ATOM 1598 O SER A 96 -9.340 -19.557 -18.127 1.00 0.00 O ATOM 1599 CB SER A 96 -12.481 -19.708 -18.368 1.00 0.00 C ATOM 1600 OG SER A 96 -12.002 -18.585 -19.083 1.00 0.00 O ATOM 0 H SER A 96 -11.680 -18.061 -16.678 1.00 0.00 H new ATOM 0 HA SER A 96 -11.893 -20.947 -16.698 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.603 -20.553 -19.046 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.464 -19.489 -17.952 1.00 0.00 H new ATOM 0 HG SER A 96 -12.632 -18.361 -19.800 1.00 0.00 H new ATOM 1606 N CYS A 97 -9.950 -21.735 -18.109 1.00 0.00 N ATOM 1607 CA CYS A 97 -8.727 -22.215 -18.747 1.00 0.00 C ATOM 1608 C CYS A 97 -8.670 -21.782 -20.221 1.00 0.00 C ATOM 1609 O CYS A 97 -9.681 -21.376 -20.808 1.00 0.00 O ATOM 1610 CB CYS A 97 -8.655 -23.749 -18.651 1.00 0.00 C ATOM 1611 SG CYS A 97 -7.035 -24.421 -19.072 1.00 0.00 S ATOM 0 H CYS A 97 -10.622 -22.470 -17.889 1.00 0.00 H new ATOM 0 HA CYS A 97 -7.875 -21.778 -18.227 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -8.914 -24.054 -17.637 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -9.403 -24.182 -19.315 1.00 0.00 H new ATOM 0 HG CYS A 97 -6.142 -23.479 -18.997 1.00 0.00 H new ATOM 1616 N ARG A 98 -7.460 -21.817 -20.787 1.00 0.00 N ATOM 1617 CA ARG A 98 -7.214 -21.349 -22.158 1.00 0.00 C ATOM 1618 C ARG A 98 -6.537 -22.441 -22.996 1.00 0.00 C ATOM 1619 O ARG A 98 -6.113 -22.193 -24.124 1.00 0.00 O ATOM 1620 CB ARG A 98 -6.322 -20.088 -22.131 1.00 0.00 C ATOM 1621 CG ARG A 98 -6.885 -18.932 -21.286 1.00 0.00 C ATOM 1622 CD ARG A 98 -6.369 -18.940 -19.839 1.00 0.00 C ATOM 1623 NE ARG A 98 -7.148 -18.018 -19.003 1.00 0.00 N ATOM 1624 CZ ARG A 98 -6.922 -16.731 -18.772 1.00 0.00 C ATOM 1625 NH1 ARG A 98 -5.879 -16.094 -19.260 1.00 0.00 N ATOM 1626 NH2 ARG A 98 -7.766 -16.047 -18.036 1.00 0.00 N ATOM 0 H ARG A 98 -6.627 -22.168 -20.313 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.174 -21.108 -22.614 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -5.340 -20.360 -21.744 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.177 -19.738 -23.153 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.621 -17.984 -21.755 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.973 -18.991 -21.278 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.432 -19.949 -19.431 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -5.317 -18.654 -19.821 1.00 0.00 H new ATOM 0 HE ARG A 98 -7.966 -18.417 -18.542 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -5.204 -16.591 -19.842 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -5.745 -15.104 -19.056 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -8.590 -16.505 -17.646 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -7.598 -15.057 -17.854 1.00 0.00 H new ATOM 1640 N TRP A 99 -6.428 -23.649 -22.429 1.00 0.00 N ATOM 1641 CA TRP A 99 -5.822 -24.777 -23.126 1.00 0.00 C ATOM 1642 C TRP A 99 -6.676 -25.178 -24.354 1.00 0.00 C ATOM 1643 O TRP A 99 -7.884 -24.936 -24.387 1.00 0.00 O ATOM 1644 CB TRP A 99 -5.680 -25.966 -22.163 1.00 0.00 C ATOM 1645 CG TRP A 99 -4.410 -25.893 -21.362 1.00 0.00 C ATOM 1646 CD1 TRP A 99 -4.098 -24.907 -20.489 1.00 0.00 C ATOM 1647 CD2 TRP A 99 -3.246 -26.779 -21.385 1.00 0.00 C ATOM 1648 NE1 TRP A 99 -2.840 -25.119 -19.967 1.00 0.00 N ATOM 1649 CE2 TRP A 99 -2.258 -26.247 -20.501 1.00 0.00 C ATOM 1650 CE3 TRP A 99 -2.917 -27.972 -22.066 1.00 0.00 C ATOM 1651 CZ2 TRP A 99 -1.004 -26.850 -20.318 1.00 0.00 C ATOM 1652 CZ3 TRP A 99 -1.668 -28.596 -21.878 1.00 0.00 C ATOM 1653 CH2 TRP A 99 -0.710 -28.036 -21.014 1.00 0.00 C ATOM 0 H TRP A 99 -6.754 -23.865 -21.487 1.00 0.00 H new ATOM 0 HA TRP A 99 -4.833 -24.484 -23.479 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -6.534 -25.989 -21.487 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -5.698 -26.896 -22.731 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -4.740 -24.076 -20.238 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -2.397 -24.517 -19.273 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -3.635 -28.413 -22.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -0.276 -26.410 -19.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -1.444 -29.513 -22.402 1.00 0.00 H new ATOM 0 HH2 TRP A 99 0.249 -28.516 -20.885 1.00 0.00 H new ATOM 1664 N PRO A 100 -6.038 -25.775 -25.388 1.00 0.00 N ATOM 1665 CA PRO A 100 -6.693 -26.045 -26.682 1.00 0.00 C ATOM 1666 C PRO A 100 -7.774 -27.149 -26.603 1.00 0.00 C ATOM 1667 O PRO A 100 -8.351 -27.529 -27.621 1.00 0.00 O ATOM 1668 CB PRO A 100 -5.533 -26.484 -27.591 1.00 0.00 C ATOM 1669 CG PRO A 100 -4.469 -27.021 -26.636 1.00 0.00 C ATOM 1670 CD PRO A 100 -4.621 -26.110 -25.422 1.00 0.00 C ATOM 0 HA PRO A 100 -7.230 -25.168 -27.044 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -5.853 -27.250 -28.298 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -5.152 -25.648 -28.178 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -4.643 -28.067 -26.382 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.470 -26.959 -27.067 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -4.311 -26.614 -24.507 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -4.005 -25.216 -25.518 1.00 0.00 H new ATOM 1678 N SER A 101 -8.048 -27.642 -25.390 1.00 0.00 N ATOM 1679 CA SER A 101 -9.069 -28.672 -25.181 1.00 0.00 C ATOM 1680 C SER A 101 -9.741 -28.518 -23.800 1.00 0.00 C ATOM 1681 O SER A 101 -10.135 -29.513 -23.185 1.00 0.00 O ATOM 1682 CB SER A 101 -8.430 -30.068 -25.294 1.00 0.00 C ATOM 1683 OG SER A 101 -7.661 -30.368 -24.146 1.00 0.00 O ATOM 0 H SER A 101 -7.575 -27.343 -24.537 1.00 0.00 H new ATOM 0 HA SER A 101 -9.834 -28.554 -25.948 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.209 -30.819 -25.420 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.798 -30.112 -26.181 1.00 0.00 H new ATOM 0 HG SER A 101 -7.267 -31.260 -24.240 1.00 0.00 H new ATOM 1689 N CYS A 102 -9.831 -27.271 -23.303 1.00 0.00 N ATOM 1690 CA CYS A 102 -10.416 -27.006 -21.987 1.00 0.00 C ATOM 1691 C CYS A 102 -11.144 -25.655 -21.955 1.00 0.00 C ATOM 1692 O CYS A 102 -10.736 -24.696 -22.615 1.00 0.00 O ATOM 1693 CB CYS A 102 -9.320 -27.014 -20.923 1.00 0.00 C ATOM 1694 SG CYS A 102 -10.078 -26.815 -19.289 1.00 0.00 S ATOM 0 H CYS A 102 -9.506 -26.438 -23.794 1.00 0.00 H new ATOM 0 HA CYS A 102 -11.143 -27.791 -21.782 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -8.760 -27.948 -20.967 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -8.610 -26.208 -21.109 1.00 0.00 H new ATOM 0 HG CYS A 102 -9.164 -26.921 -18.371 1.00 0.00 H new ATOM 1699 N GLN A 103 -12.178 -25.581 -21.108 1.00 0.00 N ATOM 1700 CA GLN A 103 -12.853 -24.318 -20.784 1.00 0.00 C ATOM 1701 C GLN A 103 -13.316 -24.330 -19.303 1.00 0.00 C ATOM 1702 O GLN A 103 -14.241 -23.606 -18.922 1.00 0.00 O ATOM 1703 CB GLN A 103 -14.072 -24.111 -21.718 1.00 0.00 C ATOM 1704 CG GLN A 103 -13.726 -23.653 -23.145 1.00 0.00 C ATOM 1705 CD GLN A 103 -13.068 -22.273 -23.156 1.00 0.00 C ATOM 1706 OE1 GLN A 103 -13.734 -21.250 -23.199 1.00 0.00 O ATOM 1707 NE2 GLN A 103 -11.753 -22.206 -23.091 1.00 0.00 N ATOM 0 H GLN A 103 -12.569 -26.392 -20.629 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.153 -23.496 -20.931 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -14.628 -25.046 -21.777 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -14.736 -23.374 -21.267 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -13.056 -24.378 -23.607 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -14.633 -23.628 -23.748 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -11.200 -23.062 -23.055 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -11.289 -21.298 -23.076 1.00 0.00 H new ATOM 1716 N LYS A 104 -12.650 -25.164 -18.477 1.00 0.00 N ATOM 1717 CA LYS A 104 -12.987 -25.289 -17.053 1.00 0.00 C ATOM 1718 C LYS A 104 -12.633 -24.011 -16.319 1.00 0.00 C ATOM 1719 O LYS A 104 -11.674 -23.332 -16.676 1.00 0.00 O ATOM 1720 CB LYS A 104 -12.225 -26.475 -16.435 1.00 0.00 C ATOM 1721 CG LYS A 104 -12.764 -27.809 -16.988 1.00 0.00 C ATOM 1722 CD LYS A 104 -12.080 -29.034 -16.366 1.00 0.00 C ATOM 1723 CE LYS A 104 -10.625 -29.213 -16.812 1.00 0.00 C ATOM 1724 NZ LYS A 104 -10.510 -29.665 -18.212 1.00 0.00 N ATOM 0 H LYS A 104 -11.877 -25.758 -18.777 1.00 0.00 H new ATOM 0 HA LYS A 104 -14.059 -25.465 -16.959 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.161 -26.386 -16.656 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -12.328 -26.456 -15.350 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -13.837 -27.866 -16.804 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.625 -27.831 -18.069 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -12.111 -28.945 -15.280 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -12.645 -29.928 -16.629 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -10.095 -28.268 -16.695 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.136 -29.936 -16.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -9.772 -30.395 -18.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -11.419 -30.061 -18.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -10.257 -28.858 -18.818 1.00 0.00 H new ATOM 1738 N LYS A 105 -13.455 -23.645 -15.331 1.00 0.00 N ATOM 1739 CA LYS A 105 -13.349 -22.331 -14.698 1.00 0.00 C ATOM 1740 C LYS A 105 -13.160 -22.449 -13.198 1.00 0.00 C ATOM 1741 O LYS A 105 -13.745 -23.316 -12.549 1.00 0.00 O ATOM 1742 CB LYS A 105 -14.608 -21.499 -15.000 1.00 0.00 C ATOM 1743 CG LYS A 105 -15.072 -21.608 -16.462 1.00 0.00 C ATOM 1744 CD LYS A 105 -16.042 -20.491 -16.867 1.00 0.00 C ATOM 1745 CE LYS A 105 -16.642 -20.745 -18.259 1.00 0.00 C ATOM 1746 NZ LYS A 105 -15.611 -20.901 -19.310 1.00 0.00 N ATOM 0 H LYS A 105 -14.196 -24.237 -14.956 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.472 -21.832 -15.110 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -15.416 -21.824 -14.344 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.409 -20.453 -14.766 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.201 -21.581 -17.117 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.555 -22.574 -16.613 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -16.843 -20.419 -16.132 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.519 -19.535 -16.864 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -17.258 -21.643 -18.225 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -17.300 -19.917 -18.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.072 -20.985 -20.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.985 -20.071 -19.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.051 -21.757 -19.123 1.00 0.00 H new ATOM 1760 N PHE A 106 -12.368 -21.528 -12.651 1.00 0.00 N ATOM 1761 CA PHE A 106 -12.096 -21.467 -11.210 1.00 0.00 C ATOM 1762 C PHE A 106 -12.464 -20.096 -10.657 1.00 0.00 C ATOM 1763 O PHE A 106 -12.645 -19.140 -11.416 1.00 0.00 O ATOM 1764 CB PHE A 106 -10.607 -21.752 -10.952 1.00 0.00 C ATOM 1765 CG PHE A 106 -10.197 -23.086 -11.550 1.00 0.00 C ATOM 1766 CD1 PHE A 106 -10.387 -24.273 -10.819 1.00 0.00 C ATOM 1767 CD2 PHE A 106 -9.785 -23.155 -12.895 1.00 0.00 C ATOM 1768 CE1 PHE A 106 -10.196 -25.518 -11.443 1.00 0.00 C ATOM 1769 CE2 PHE A 106 -9.625 -24.398 -13.528 1.00 0.00 C ATOM 1770 CZ PHE A 106 -9.841 -25.582 -12.802 1.00 0.00 C ATOM 0 H PHE A 106 -11.896 -20.803 -13.191 1.00 0.00 H new ATOM 0 HA PHE A 106 -12.702 -22.220 -10.705 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -10.001 -20.955 -11.382 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.414 -21.756 -9.879 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.679 -24.228 -9.780 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.591 -22.245 -13.443 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -10.322 -26.429 -10.876 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -9.337 -24.444 -14.568 1.00 0.00 H new ATOM 0 HZ PHE A 106 -9.734 -26.541 -13.288 1.00 0.00 H new ATOM 1780 N ALA A 107 -12.572 -19.994 -9.329 1.00 0.00 N ATOM 1781 CA ALA A 107 -12.905 -18.729 -8.679 1.00 0.00 C ATOM 1782 C ALA A 107 -11.643 -18.039 -8.137 1.00 0.00 C ATOM 1783 O ALA A 107 -11.726 -16.973 -7.527 1.00 0.00 O ATOM 1784 CB ALA A 107 -13.893 -18.984 -7.533 1.00 0.00 C ATOM 0 H ALA A 107 -12.433 -20.773 -8.686 1.00 0.00 H new ATOM 0 HA ALA A 107 -13.362 -18.071 -9.418 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.140 -18.039 -7.049 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.801 -19.437 -7.930 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.440 -19.657 -6.805 1.00 0.00 H new ATOM 1790 N ARG A 108 -10.474 -18.654 -8.371 1.00 0.00 N ATOM 1791 CA ARG A 108 -9.201 -18.102 -7.917 1.00 0.00 C ATOM 1792 C ARG A 108 -8.146 -18.196 -9.023 1.00 0.00 C ATOM 1793 O ARG A 108 -8.007 -19.231 -9.688 1.00 0.00 O ATOM 1794 CB ARG A 108 -8.723 -18.860 -6.676 1.00 0.00 C ATOM 1795 CG ARG A 108 -9.581 -18.588 -5.429 1.00 0.00 C ATOM 1796 CD ARG A 108 -9.401 -19.681 -4.374 1.00 0.00 C ATOM 1797 NE ARG A 108 -7.989 -19.855 -4.006 1.00 0.00 N ATOM 1798 CZ ARG A 108 -7.555 -20.470 -2.919 1.00 0.00 C ATOM 1799 NH1 ARG A 108 -8.399 -20.868 -2.004 1.00 0.00 N ATOM 1800 NH2 ARG A 108 -6.273 -20.683 -2.788 1.00 0.00 N ATOM 0 H ARG A 108 -10.390 -19.537 -8.875 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.346 -17.051 -7.667 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -8.730 -19.929 -6.887 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.690 -18.583 -6.465 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.310 -17.622 -5.003 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.631 -18.527 -5.715 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.980 -19.428 -3.486 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.796 -20.623 -4.755 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.288 -19.471 -4.640 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.398 -20.705 -2.126 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -8.058 -21.342 -1.168 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.628 -20.377 -3.516 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -5.917 -21.156 -1.957 1.00 0.00 H new ATOM 1814 N SER A 109 -7.388 -17.114 -9.195 1.00 0.00 N ATOM 1815 CA SER A 109 -6.332 -17.053 -10.202 1.00 0.00 C ATOM 1816 C SER A 109 -5.316 -18.183 -9.992 1.00 0.00 C ATOM 1817 O SER A 109 -4.957 -18.884 -10.932 1.00 0.00 O ATOM 1818 CB SER A 109 -5.617 -15.692 -10.125 1.00 0.00 C ATOM 1819 OG SER A 109 -5.269 -15.390 -8.785 1.00 0.00 O ATOM 0 H SER A 109 -7.488 -16.261 -8.644 1.00 0.00 H new ATOM 0 HA SER A 109 -6.785 -17.172 -11.186 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.720 -15.710 -10.745 1.00 0.00 H new ATOM 0 HB3 SER A 109 -6.265 -14.911 -10.524 1.00 0.00 H new ATOM 0 HG SER A 109 -4.814 -14.523 -8.753 1.00 0.00 H new ATOM 1825 N ASP A 110 -4.906 -18.387 -8.739 1.00 0.00 N ATOM 1826 CA ASP A 110 -3.946 -19.435 -8.391 1.00 0.00 C ATOM 1827 C ASP A 110 -4.549 -20.855 -8.607 1.00 0.00 C ATOM 1828 O ASP A 110 -3.834 -21.776 -8.984 1.00 0.00 O ATOM 1829 CB ASP A 110 -3.480 -19.270 -6.941 1.00 0.00 C ATOM 1830 CG ASP A 110 -4.559 -19.054 -5.875 1.00 0.00 C ATOM 1831 OD1 ASP A 110 -5.347 -18.093 -6.016 1.00 0.00 O ATOM 1832 OD2 ASP A 110 -4.539 -19.813 -4.879 1.00 0.00 O ATOM 0 H ASP A 110 -5.227 -17.835 -7.943 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.087 -19.333 -9.054 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.909 -20.157 -6.668 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.793 -18.424 -6.902 1.00 0.00 H new ATOM 1837 N GLU A 111 -5.872 -21.014 -8.380 1.00 0.00 N ATOM 1838 CA GLU A 111 -6.555 -22.297 -8.691 1.00 0.00 C ATOM 1839 C GLU A 111 -6.438 -22.613 -10.188 1.00 0.00 C ATOM 1840 O GLU A 111 -6.169 -23.753 -10.566 1.00 0.00 O ATOM 1841 CB GLU A 111 -8.049 -22.243 -8.295 1.00 0.00 C ATOM 1842 CG GLU A 111 -8.354 -22.654 -6.844 1.00 0.00 C ATOM 1843 CD GLU A 111 -9.867 -22.760 -6.548 1.00 0.00 C ATOM 1844 OE1 GLU A 111 -10.645 -21.998 -7.176 1.00 0.00 O ATOM 1845 OE2 GLU A 111 -10.222 -23.574 -5.668 1.00 0.00 O ATOM 0 H GLU A 111 -6.479 -20.292 -7.992 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.067 -23.082 -8.113 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.415 -21.228 -8.454 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.611 -22.893 -8.966 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -7.882 -23.615 -6.638 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.907 -21.927 -6.166 1.00 0.00 H new ATOM 1852 N LEU A 112 -6.585 -21.581 -11.038 1.00 0.00 N ATOM 1853 CA LEU A 112 -6.387 -21.745 -12.484 1.00 0.00 C ATOM 1854 C LEU A 112 -4.903 -22.071 -12.803 1.00 0.00 C ATOM 1855 O LEU A 112 -4.619 -22.971 -13.592 1.00 0.00 O ATOM 1856 CB LEU A 112 -6.823 -20.474 -13.231 1.00 0.00 C ATOM 1857 CG LEU A 112 -6.600 -20.576 -14.755 1.00 0.00 C ATOM 1858 CD1 LEU A 112 -7.375 -21.736 -15.386 1.00 0.00 C ATOM 1859 CD2 LEU A 112 -7.011 -19.285 -15.465 1.00 0.00 C ATOM 0 H LEU A 112 -6.837 -20.636 -10.750 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.003 -22.579 -12.820 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.878 -20.285 -13.034 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.268 -19.620 -12.843 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.532 -20.753 -14.884 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.182 -21.762 -16.459 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.053 -22.676 -14.937 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.442 -21.598 -15.212 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.842 -19.389 -16.537 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.068 -19.090 -15.282 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.417 -18.455 -15.083 1.00 0.00 H new ATOM 1871 N VAL A 113 -3.966 -21.363 -12.145 1.00 0.00 N ATOM 1872 CA VAL A 113 -2.517 -21.651 -12.305 1.00 0.00 C ATOM 1873 C VAL A 113 -2.221 -23.110 -11.920 1.00 0.00 C ATOM 1874 O VAL A 113 -1.497 -23.815 -12.624 1.00 0.00 O ATOM 1875 CB VAL A 113 -1.676 -20.700 -11.409 1.00 0.00 C ATOM 1876 CG1 VAL A 113 -0.177 -21.038 -11.453 1.00 0.00 C ATOM 1877 CG2 VAL A 113 -1.794 -19.218 -11.781 1.00 0.00 C ATOM 0 H VAL A 113 -4.176 -20.597 -11.505 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.247 -21.491 -13.349 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.094 -20.858 -10.415 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.371 -20.347 -10.812 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.024 -22.058 -11.102 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.186 -20.948 -12.477 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -1.177 -18.624 -11.107 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.456 -19.072 -12.807 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -2.834 -18.903 -11.694 1.00 0.00 H new ATOM 1887 N ARG A 114 -2.851 -23.567 -10.833 1.00 0.00 N ATOM 1888 CA ARG A 114 -2.729 -24.961 -10.398 1.00 0.00 C ATOM 1889 C ARG A 114 -3.314 -25.906 -11.457 1.00 0.00 C ATOM 1890 O ARG A 114 -2.652 -26.850 -11.876 1.00 0.00 O ATOM 1891 CB ARG A 114 -3.448 -25.168 -9.057 1.00 0.00 C ATOM 1892 CG ARG A 114 -3.374 -26.655 -8.660 1.00 0.00 C ATOM 1893 CD ARG A 114 -3.827 -26.912 -7.230 1.00 0.00 C ATOM 1894 NE ARG A 114 -2.874 -26.340 -6.271 1.00 0.00 N ATOM 1895 CZ ARG A 114 -2.941 -26.477 -4.957 1.00 0.00 C ATOM 1896 NH1 ARG A 114 -3.865 -27.212 -4.389 1.00 0.00 N ATOM 1897 NH2 ARG A 114 -2.084 -25.854 -4.187 1.00 0.00 N ATOM 0 H ARG A 114 -3.449 -22.993 -10.240 1.00 0.00 H new ATOM 0 HA ARG A 114 -1.671 -25.189 -10.269 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -2.987 -24.551 -8.286 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -4.488 -24.853 -9.137 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -3.993 -27.239 -9.342 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -2.349 -27.007 -8.779 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -4.814 -26.477 -7.073 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -3.921 -27.985 -7.061 1.00 0.00 H new ATOM 0 HE ARG A 114 -2.099 -25.794 -6.648 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -4.556 -27.696 -4.963 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -3.893 -27.300 -3.373 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -1.363 -25.262 -4.600 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -2.137 -25.961 -3.174 1.00 0.00 H new ATOM 1911 N HIS A 115 -4.516 -25.583 -11.958 1.00 0.00 N ATOM 1912 CA HIS A 115 -5.165 -26.394 -12.998 1.00 0.00 C ATOM 1913 C HIS A 115 -4.241 -26.570 -14.204 1.00 0.00 C ATOM 1914 O HIS A 115 -3.987 -27.692 -14.638 1.00 0.00 O ATOM 1915 CB HIS A 115 -6.478 -25.739 -13.445 1.00 0.00 C ATOM 1916 CG HIS A 115 -7.092 -26.483 -14.609 1.00 0.00 C ATOM 1917 ND1 HIS A 115 -7.419 -27.822 -14.609 1.00 0.00 N ATOM 1918 CD2 HIS A 115 -7.260 -26.015 -15.890 1.00 0.00 C ATOM 1919 CE1 HIS A 115 -7.759 -28.147 -15.865 1.00 0.00 C ATOM 1920 NE2 HIS A 115 -7.723 -27.069 -16.655 1.00 0.00 N ATOM 0 H HIS A 115 -5.056 -24.770 -11.661 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.380 -27.375 -12.575 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -7.180 -25.720 -12.611 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -6.292 -24.703 -13.729 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -7.405 -28.449 -13.804 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -7.066 -25.010 -16.235 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -8.025 -29.141 -16.193 1.00 0.00 H new ATOM 1928 N HIS A 116 -3.685 -25.457 -14.697 1.00 0.00 N ATOM 1929 CA HIS A 116 -2.733 -25.494 -15.803 1.00 0.00 C ATOM 1930 C HIS A 116 -1.527 -26.406 -15.466 1.00 0.00 C ATOM 1931 O HIS A 116 -1.065 -27.170 -16.313 1.00 0.00 O ATOM 1932 CB HIS A 116 -2.237 -24.075 -16.116 1.00 0.00 C ATOM 1933 CG HIS A 116 -3.254 -23.126 -16.712 1.00 0.00 C ATOM 1934 ND1 HIS A 116 -3.129 -21.761 -16.717 1.00 0.00 N flip ATOM 1935 CD2 HIS A 116 -4.399 -23.432 -17.425 1.00 0.00 C flip ATOM 1936 CE1 HIS A 116 -4.196 -21.228 -17.443 1.00 0.00 C flip ATOM 1937 NE2 HIS A 116 -4.933 -22.273 -17.844 1.00 0.00 N flip ATOM 0 H HIS A 116 -3.881 -24.520 -14.344 1.00 0.00 H new ATOM 0 HA HIS A 116 -3.242 -25.902 -16.676 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -1.857 -23.634 -15.194 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -1.395 -24.151 -16.804 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -2.385 -21.227 -16.268 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -4.791 -24.421 -17.611 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -4.389 -20.184 -17.641 1.00 0.00 H new ATOM 1945 N ASN A 117 -1.078 -26.373 -14.196 1.00 0.00 N ATOM 1946 CA ASN A 117 0.075 -27.173 -13.757 1.00 0.00 C ATOM 1947 C ASN A 117 -0.259 -28.686 -13.762 1.00 0.00 C ATOM 1948 O ASN A 117 0.642 -29.525 -13.776 1.00 0.00 O ATOM 1949 CB ASN A 117 0.503 -26.736 -12.338 1.00 0.00 C ATOM 1950 CG ASN A 117 1.967 -27.005 -11.999 1.00 0.00 C ATOM 1951 OD1 ASN A 117 2.644 -26.169 -11.426 1.00 0.00 O ATOM 1952 ND2 ASN A 117 2.508 -28.160 -12.325 1.00 0.00 N ATOM 0 H ASN A 117 -1.496 -25.802 -13.461 1.00 0.00 H new ATOM 0 HA ASN A 117 0.894 -27.003 -14.456 1.00 0.00 H new ATOM 0 HB2 ASN A 117 0.309 -25.669 -12.228 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -0.124 -27.251 -11.610 1.00 0.00 H new ATOM 0 HD21 ASN A 117 3.484 -28.348 -12.098 1.00 0.00 H new ATOM 0 HD22 ASN A 117 1.951 -28.867 -12.805 1.00 0.00 H new ATOM 1959 N MET A 118 -1.559 -29.013 -13.763 1.00 0.00 N ATOM 1960 CA MET A 118 -2.016 -30.409 -13.798 1.00 0.00 C ATOM 1961 C MET A 118 -2.575 -30.776 -15.191 1.00 0.00 C ATOM 1962 O MET A 118 -3.063 -31.886 -15.394 1.00 0.00 O ATOM 1963 CB MET A 118 -3.110 -30.625 -12.734 1.00 0.00 C ATOM 1964 CG MET A 118 -2.653 -30.308 -11.303 1.00 0.00 C ATOM 1965 SD MET A 118 -3.863 -30.682 -9.997 1.00 0.00 S ATOM 1966 CE MET A 118 -5.294 -29.710 -10.543 1.00 0.00 C ATOM 0 H MET A 118 -2.314 -28.328 -13.740 1.00 0.00 H new ATOM 0 HA MET A 118 -1.162 -31.052 -13.587 1.00 0.00 H new ATOM 0 HB2 MET A 118 -3.969 -30.000 -12.978 1.00 0.00 H new ATOM 0 HB3 MET A 118 -3.446 -31.661 -12.777 1.00 0.00 H new ATOM 0 HG2 MET A 118 -1.739 -30.867 -11.099 1.00 0.00 H new ATOM 0 HG3 MET A 118 -2.399 -29.250 -11.247 1.00 0.00 H new ATOM 0 HE1 MET A 118 -6.024 -29.653 -9.736 1.00 0.00 H new ATOM 0 HE2 MET A 118 -4.970 -28.704 -10.811 1.00 0.00 H new ATOM 0 HE3 MET A 118 -5.749 -30.188 -11.411 1.00 0.00 H new ATOM 1976 N HIS A 119 -2.550 -29.814 -16.129 1.00 0.00 N ATOM 1977 CA HIS A 119 -3.206 -29.986 -17.423 1.00 0.00 C ATOM 1978 C HIS A 119 -2.447 -30.988 -18.296 1.00 0.00 C ATOM 1979 O HIS A 119 -2.915 -31.366 -19.374 1.00 0.00 O ATOM 1980 CB HIS A 119 -3.297 -28.638 -18.141 1.00 0.00 C ATOM 1981 CG HIS A 119 -4.583 -28.514 -18.901 1.00 0.00 C ATOM 1982 ND1 HIS A 119 -5.076 -29.433 -19.794 1.00 0.00 N ATOM 1983 CD2 HIS A 119 -5.563 -27.596 -18.655 1.00 0.00 C ATOM 1984 CE1 HIS A 119 -6.347 -29.080 -20.054 1.00 0.00 C ATOM 1985 NE2 HIS A 119 -6.689 -27.989 -19.375 1.00 0.00 N ATOM 0 H HIS A 119 -2.083 -28.915 -16.010 1.00 0.00 H new ATOM 0 HA HIS A 119 -4.209 -30.376 -17.249 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -3.222 -27.830 -17.413 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -2.455 -28.530 -18.825 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -4.574 -30.230 -20.185 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -5.481 -26.726 -18.020 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -7.004 -29.612 -20.726 1.00 0.00 H new