USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=41 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 96 SER OG : rot -172:sc= 1.25 USER MOD Set 1.2: A 103 GLN : amide:sc= 0.958 K(o=2.3,f=-9.5!) USER MOD Set 1.3: A 105 LYS NZ :NH3+ 180:sc= 0.0558 (180deg=-0.0461) USER MOD Set 2.1: A 97 CYS SG : rot 81:sc= -1.15 USER MOD Set 2.2: A 102 CYS SG : rot 39:sc= -0.68 USER MOD Set 2.3: A 104 LYS NZ :NH3+ -145:sc= 1.14 (180deg=-0.0357) USER MOD Set 2.4: A 115 HIS : no HE2:sc= -2.09 K(o=-4.8,f=-7.8) USER MOD Set 2.5: A 116 HIS : no HD1:sc= -0.818 K(o=-4.8,f=-9!) USER MOD Set 2.6: A 119 HIS : no HD1:sc= -1.19 K(o=-4.8,f=-9.7!) USER MOD Set 3.1: A 69 CYS SG : rot 100:sc= 2.52 USER MOD Set 3.2: A 71 THR OG1 : rot 75:sc= 0.992 USER MOD Set 3.3: A 72 CYS SG : rot -56:sc= 0.333 USER MOD Set 3.4: A 85 HIS : no HD1:sc= -0.157 K(o=4.7,f=1.3) USER MOD Set 3.5: A 88 THR OG1 : rot -49:sc= 1.16 USER MOD Set 3.6: A 89 HIS : no HD1:sc= -0.127 K(o=4.7,f=1.2) USER MOD Set 4.1: A 68 GLN : amide:sc= 0.897 K(o=1.3,f=-5.2!) USER MOD Set 4.2: A 75 LYS NZ :NH3+ -117:sc= 0.365 (180deg=-0.296) USER MOD Set 5.1: A 39 CYS SG : rot -159:sc= 0.754 USER MOD Set 5.2: A 57 HIS : no HD1:sc= -2.39 K(o=-1.8,f=-0.6) USER MOD Set 5.3: A 58 GLN : amide:sc= -0.125 K(o=-1.8,f=-0.6) USER MOD Set 5.4: A 61 HIS : no HE2:sc= -0.0127 K(o=-1.8,f=-1) USER MOD Set 6.1: A 49 SER OG : rot 180:sc= 0.972 USER MOD Set 6.2: A 53 GLN : amide:sc= 1.2 K(o=2.2,f=-3.3!) USER MOD Set 7.1: A 9 CYS SG : rot -160:sc= 0.348 USER MOD Set 7.2: A 14 CYS SG : rot -141:sc= 0.81 USER MOD Set 7.3: A 16 LYS NZ :NH3+ -169:sc= 1.38 (180deg=-0.00319) USER MOD Set 7.4: A 18 TYR OH : rot -39:sc=-0.00759 USER MOD Set 7.5: A 27 HIS : no HD1:sc= -2.13 K(o=-2.4,f=-8.7!) USER MOD Set 7.6: A 30 LYS NZ :NH3+ -177:sc= -0.927 (180deg=0) USER MOD Set 7.7: A 31 HIS : no HE2:sc= -1.91 K(o=-2.4,f=-4.9) USER MOD Single : A 8 MET CE :methyl 167:sc= -0.0104 (180deg=-0.229) USER MOD Single : A 11 TYR OH : rot 30:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.739 K(o=0.74,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0137) USER MOD Single : A 22 SER OG : rot 180:sc=0.000262 USER MOD Single : A 23 HIS : no HE2:sc= -1.52 K(o=-1.5,f=-6.2!) USER MOD Single : A 25 GLN : amide:sc= 0.663 K(o=0.66,f=-7.1!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 86:sc= 1.23 USER MOD Single : A 32 THR OG1 : rot -124:sc= 0.718 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 1.19 K(o=1.2,f=-0.011) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -74:sc= -0.291 USER MOD Single : A 65 LYS NZ :NH3+ 174:sc= 0.06 (180deg=0.0501) USER MOD Single : A 70 LYS NZ :NH3+ -169:sc= 0.924 (180deg=0.785) USER MOD Single : A 73 GLN : amide:sc= 1.21 K(o=1.2,f=-0.032) USER MOD Single : A 77 SER OG : rot -68:sc= 1.15 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= -0.233 K(o=-0.23,f=-0.78) USER MOD Single : A 83 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0673) USER MOD Single : A 84 THR OG1 : rot 63:sc= 1.2 USER MOD Single : A 86 THR OG1 : rot 81:sc= 1.33 USER MOD Single : A 90 THR OG1 : rot 88:sc= 1.19 USER MOD Single : A 93 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0339) USER MOD Single : A 101 SER OG : rot -44:sc= 0.98 USER MOD Single : A 109 SER OG : rot 180:sc= 0.024 USER MOD Single : A 117 ASN : amide:sc= 0.942 K(o=0.94,f=-0.055) USER MOD Single : A 118 MET CE :methyl 175:sc= 0 (180deg=-0.0303) USER MOD ----------------------------------------------------------------- ATOM 97 N PHE A 7 16.818 10.237 -11.874 1.00 0.00 N ATOM 98 CA PHE A 7 16.442 9.899 -10.494 1.00 0.00 C ATOM 99 C PHE A 7 16.352 8.375 -10.335 1.00 0.00 C ATOM 100 O PHE A 7 16.084 7.678 -11.292 1.00 0.00 O ATOM 101 CB PHE A 7 15.060 10.520 -10.165 1.00 0.00 C ATOM 102 CG PHE A 7 14.807 12.003 -10.420 1.00 0.00 C ATOM 103 CD1 PHE A 7 14.531 12.481 -11.721 1.00 0.00 C ATOM 104 CD2 PHE A 7 14.740 12.897 -9.332 1.00 0.00 C ATOM 105 CE1 PHE A 7 14.309 13.855 -11.934 1.00 0.00 C ATOM 106 CE2 PHE A 7 14.465 14.261 -9.545 1.00 0.00 C ATOM 107 CZ PHE A 7 14.296 14.745 -10.850 1.00 0.00 C ATOM 0 HA PHE A 7 17.198 10.294 -9.815 1.00 0.00 H new ATOM 0 HB2 PHE A 7 14.312 9.962 -10.729 1.00 0.00 H new ATOM 0 HB3 PHE A 7 14.866 10.335 -9.108 1.00 0.00 H new ATOM 0 HD1 PHE A 7 14.490 11.792 -12.552 1.00 0.00 H new ATOM 0 HD2 PHE A 7 14.901 12.533 -8.328 1.00 0.00 H new ATOM 0 HE1 PHE A 7 14.148 14.225 -12.936 1.00 0.00 H new ATOM 0 HE2 PHE A 7 14.384 14.934 -8.704 1.00 0.00 H new ATOM 0 HZ PHE A 7 14.156 15.802 -11.020 1.00 0.00 H new ATOM 117 N MET A 8 16.621 7.855 -9.133 1.00 0.00 N ATOM 118 CA MET A 8 16.326 6.437 -8.827 1.00 0.00 C ATOM 119 C MET A 8 15.693 6.323 -7.451 1.00 0.00 C ATOM 120 O MET A 8 15.973 7.128 -6.560 1.00 0.00 O ATOM 121 CB MET A 8 17.594 5.575 -8.891 1.00 0.00 C ATOM 122 CG MET A 8 18.271 5.576 -10.268 1.00 0.00 C ATOM 123 SD MET A 8 19.744 4.529 -10.414 1.00 0.00 S ATOM 124 CE MET A 8 19.011 2.882 -10.199 1.00 0.00 C ATOM 0 H MET A 8 17.036 8.379 -8.362 1.00 0.00 H new ATOM 0 HA MET A 8 15.629 6.069 -9.580 1.00 0.00 H new ATOM 0 HB2 MET A 8 18.305 5.934 -8.146 1.00 0.00 H new ATOM 0 HB3 MET A 8 17.340 4.550 -8.621 1.00 0.00 H new ATOM 0 HG2 MET A 8 17.542 5.254 -11.012 1.00 0.00 H new ATOM 0 HG3 MET A 8 18.549 6.600 -10.516 1.00 0.00 H new ATOM 0 HE1 MET A 8 19.735 2.121 -10.489 1.00 0.00 H new ATOM 0 HE2 MET A 8 18.734 2.741 -9.154 1.00 0.00 H new ATOM 0 HE3 MET A 8 18.123 2.795 -10.825 1.00 0.00 H new ATOM 134 N CYS A 9 14.852 5.312 -7.277 1.00 0.00 N ATOM 135 CA CYS A 9 14.210 5.054 -5.986 1.00 0.00 C ATOM 136 C CYS A 9 15.241 4.516 -4.949 1.00 0.00 C ATOM 137 O CYS A 9 16.286 3.959 -5.315 1.00 0.00 O ATOM 138 CB CYS A 9 13.068 4.046 -6.164 1.00 0.00 C ATOM 139 SG CYS A 9 12.215 3.800 -4.585 1.00 0.00 S ATOM 0 H CYS A 9 14.595 4.654 -8.013 1.00 0.00 H new ATOM 0 HA CYS A 9 13.806 5.993 -5.609 1.00 0.00 H new ATOM 0 HB2 CYS A 9 12.365 4.407 -6.915 1.00 0.00 H new ATOM 0 HB3 CYS A 9 13.462 3.097 -6.527 1.00 0.00 H new ATOM 0 HG CYS A 9 11.552 2.682 -4.619 1.00 0.00 H new ATOM 144 N ALA A 10 14.912 4.665 -3.660 1.00 0.00 N ATOM 145 CA ALA A 10 15.750 4.149 -2.569 1.00 0.00 C ATOM 146 C ALA A 10 15.128 2.872 -1.952 1.00 0.00 C ATOM 147 O ALA A 10 15.844 2.031 -1.400 1.00 0.00 O ATOM 148 CB ALA A 10 15.907 5.228 -1.491 1.00 0.00 C ATOM 0 H ALA A 10 14.067 5.141 -3.345 1.00 0.00 H new ATOM 0 HA ALA A 10 16.729 3.890 -2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 10 16.529 4.846 -0.681 1.00 0.00 H new ATOM 0 HB2 ALA A 10 16.378 6.110 -1.925 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.926 5.497 -1.099 1.00 0.00 H new ATOM 154 N TYR A 11 13.791 2.763 -2.022 1.00 0.00 N ATOM 155 CA TYR A 11 13.057 1.656 -1.394 1.00 0.00 C ATOM 156 C TYR A 11 13.577 0.283 -1.898 1.00 0.00 C ATOM 157 O TYR A 11 13.827 0.107 -3.094 1.00 0.00 O ATOM 158 CB TYR A 11 11.558 1.788 -1.709 1.00 0.00 C ATOM 159 CG TYR A 11 10.610 1.178 -0.692 1.00 0.00 C ATOM 160 CD1 TYR A 11 10.189 1.949 0.409 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.137 -0.140 -0.842 1.00 0.00 C ATOM 162 CE1 TYR A 11 9.344 1.398 1.384 1.00 0.00 C ATOM 163 CE2 TYR A 11 9.324 -0.711 0.158 1.00 0.00 C ATOM 164 CZ TYR A 11 8.950 0.050 1.288 1.00 0.00 C ATOM 165 OH TYR A 11 8.213 -0.490 2.291 1.00 0.00 O ATOM 0 H TYR A 11 13.196 3.432 -2.510 1.00 0.00 H new ATOM 0 HA TYR A 11 13.215 1.707 -0.317 1.00 0.00 H new ATOM 0 HB2 TYR A 11 11.320 2.847 -1.810 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.368 1.325 -2.677 1.00 0.00 H new ATOM 0 HD1 TYR A 11 10.519 2.973 0.503 1.00 0.00 H new ATOM 0 HD2 TYR A 11 10.396 -0.712 -1.721 1.00 0.00 H new ATOM 0 HE1 TYR A 11 8.997 2.006 2.206 1.00 0.00 H new ATOM 0 HE2 TYR A 11 8.986 -1.732 0.060 1.00 0.00 H new ATOM 0 HH TYR A 11 7.665 0.208 2.706 1.00 0.00 H new ATOM 175 N PRO A 12 13.715 -0.710 -0.984 1.00 0.00 N ATOM 176 CA PRO A 12 14.187 -2.046 -1.342 1.00 0.00 C ATOM 177 C PRO A 12 13.222 -2.766 -2.291 1.00 0.00 C ATOM 178 O PRO A 12 12.019 -2.512 -2.280 1.00 0.00 O ATOM 179 CB PRO A 12 14.282 -2.779 0.004 1.00 0.00 C ATOM 180 CG PRO A 12 13.305 -2.044 0.921 1.00 0.00 C ATOM 181 CD PRO A 12 13.417 -0.603 0.438 1.00 0.00 C ATOM 0 HA PRO A 12 15.136 -2.011 -1.877 1.00 0.00 H new ATOM 0 HB2 PRO A 12 14.013 -3.830 -0.099 1.00 0.00 H new ATOM 0 HB3 PRO A 12 15.297 -2.747 0.401 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.289 -2.427 0.822 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.582 -2.143 1.971 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.490 -0.056 0.608 1.00 0.00 H new ATOM 0 HD3 PRO A 12 14.205 -0.068 0.968 1.00 0.00 H new ATOM 189 N GLY A 13 13.767 -3.668 -3.114 1.00 0.00 N ATOM 190 CA GLY A 13 12.956 -4.396 -4.103 1.00 0.00 C ATOM 191 C GLY A 13 12.631 -3.537 -5.346 1.00 0.00 C ATOM 192 O GLY A 13 12.432 -4.071 -6.436 1.00 0.00 O ATOM 0 H GLY A 13 14.757 -3.912 -3.118 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.489 -5.294 -4.415 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.026 -4.722 -3.637 1.00 0.00 H new ATOM 196 N CYS A 14 12.602 -2.205 -5.165 1.00 0.00 N ATOM 197 CA CYS A 14 12.377 -1.271 -6.263 1.00 0.00 C ATOM 198 C CYS A 14 13.722 -0.737 -6.802 1.00 0.00 C ATOM 199 O CYS A 14 14.300 -1.312 -7.728 1.00 0.00 O ATOM 200 CB CYS A 14 11.493 -0.099 -5.781 1.00 0.00 C ATOM 201 SG CYS A 14 11.340 1.096 -7.149 1.00 0.00 S ATOM 0 H CYS A 14 12.734 -1.756 -4.258 1.00 0.00 H new ATOM 0 HA CYS A 14 11.866 -1.795 -7.071 1.00 0.00 H new ATOM 0 HB2 CYS A 14 10.510 -0.462 -5.481 1.00 0.00 H new ATOM 0 HB3 CYS A 14 11.937 0.378 -4.907 1.00 0.00 H new ATOM 0 HG CYS A 14 11.387 2.306 -6.676 1.00 0.00 H new ATOM 206 N ASN A 15 14.210 0.367 -6.202 1.00 0.00 N ATOM 207 CA ASN A 15 15.432 1.049 -6.663 1.00 0.00 C ATOM 208 C ASN A 15 15.425 1.236 -8.203 1.00 0.00 C ATOM 209 O ASN A 15 16.467 1.137 -8.859 1.00 0.00 O ATOM 210 CB ASN A 15 16.678 0.253 -6.220 1.00 0.00 C ATOM 211 CG ASN A 15 16.792 0.219 -4.703 1.00 0.00 C ATOM 212 OD1 ASN A 15 16.881 -0.831 -4.083 1.00 0.00 O ATOM 213 ND2 ASN A 15 16.823 1.379 -4.073 1.00 0.00 N ATOM 0 H ASN A 15 13.772 0.806 -5.392 1.00 0.00 H new ATOM 0 HA ASN A 15 15.463 2.040 -6.209 1.00 0.00 H new ATOM 0 HB2 ASN A 15 16.621 -0.764 -6.607 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.574 0.706 -6.646 1.00 0.00 H new ATOM 0 HD21 ASN A 15 16.922 1.406 -3.058 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.748 2.248 -4.601 1.00 0.00 H new ATOM 220 N LYS A 16 14.244 1.550 -8.755 1.00 0.00 N ATOM 221 CA LYS A 16 14.089 1.754 -10.197 1.00 0.00 C ATOM 222 C LYS A 16 14.398 3.181 -10.576 1.00 0.00 C ATOM 223 O LYS A 16 14.463 4.059 -9.719 1.00 0.00 O ATOM 224 CB LYS A 16 12.648 1.405 -10.621 1.00 0.00 C ATOM 225 CG LYS A 16 12.374 -0.105 -10.512 1.00 0.00 C ATOM 226 CD LYS A 16 11.039 -0.520 -11.150 1.00 0.00 C ATOM 227 CE LYS A 16 9.798 0.044 -10.447 1.00 0.00 C ATOM 228 NZ LYS A 16 9.611 -0.540 -9.103 1.00 0.00 N ATOM 0 H LYS A 16 13.383 1.668 -8.221 1.00 0.00 H new ATOM 0 HA LYS A 16 14.792 1.100 -10.713 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.942 1.949 -9.994 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.481 1.732 -11.647 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.186 -0.652 -10.992 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.374 -0.394 -9.461 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.031 -0.195 -12.190 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.976 -1.608 -11.155 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.890 1.127 -10.362 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.915 -0.155 -11.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.673 -0.279 -8.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.684 -1.576 -9.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.345 -0.177 -8.462 1.00 0.00 H new ATOM 242 N ARG A 17 14.614 3.414 -11.875 1.00 0.00 N ATOM 243 CA ARG A 17 15.071 4.712 -12.354 1.00 0.00 C ATOM 244 C ARG A 17 13.929 5.512 -13.000 1.00 0.00 C ATOM 245 O ARG A 17 13.018 4.948 -13.611 1.00 0.00 O ATOM 246 CB ARG A 17 16.225 4.527 -13.370 1.00 0.00 C ATOM 247 CG ARG A 17 15.854 4.238 -14.839 1.00 0.00 C ATOM 248 CD ARG A 17 15.078 2.931 -15.056 1.00 0.00 C ATOM 249 NE ARG A 17 14.612 2.805 -16.446 1.00 0.00 N ATOM 250 CZ ARG A 17 13.474 3.279 -16.949 1.00 0.00 C ATOM 251 NH1 ARG A 17 12.615 3.992 -16.250 1.00 0.00 N ATOM 252 NH2 ARG A 17 13.171 3.036 -18.205 1.00 0.00 N ATOM 0 H ARG A 17 14.478 2.718 -12.608 1.00 0.00 H new ATOM 0 HA ARG A 17 15.430 5.276 -11.493 1.00 0.00 H new ATOM 0 HB2 ARG A 17 16.835 5.430 -13.351 1.00 0.00 H new ATOM 0 HB3 ARG A 17 16.854 3.710 -13.017 1.00 0.00 H new ATOM 0 HG2 ARG A 17 15.257 5.067 -15.219 1.00 0.00 H new ATOM 0 HG3 ARG A 17 16.768 4.205 -15.431 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.715 2.083 -14.806 1.00 0.00 H new ATOM 0 HD3 ARG A 17 14.223 2.897 -14.380 1.00 0.00 H new ATOM 0 HE ARG A 17 15.223 2.303 -17.090 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.807 4.206 -15.271 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.758 4.330 -16.687 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.806 2.488 -18.786 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.301 3.395 -18.599 1.00 0.00 H new ATOM 266 N TYR A 18 14.020 6.826 -12.866 1.00 0.00 N ATOM 267 CA TYR A 18 13.012 7.750 -13.341 1.00 0.00 C ATOM 268 C TYR A 18 13.662 8.932 -14.057 1.00 0.00 C ATOM 269 O TYR A 18 14.831 9.246 -13.825 1.00 0.00 O ATOM 270 CB TYR A 18 12.200 8.263 -12.154 1.00 0.00 C ATOM 271 CG TYR A 18 11.418 7.176 -11.467 1.00 0.00 C ATOM 272 CD1 TYR A 18 10.143 6.830 -11.942 1.00 0.00 C ATOM 273 CD2 TYR A 18 12.021 6.426 -10.441 1.00 0.00 C ATOM 274 CE1 TYR A 18 9.544 5.635 -11.516 1.00 0.00 C ATOM 275 CE2 TYR A 18 11.374 5.286 -9.946 1.00 0.00 C ATOM 276 CZ TYR A 18 10.196 4.827 -10.565 1.00 0.00 C ATOM 277 OH TYR A 18 9.722 3.592 -10.261 1.00 0.00 O ATOM 0 H TYR A 18 14.812 7.284 -12.416 1.00 0.00 H new ATOM 0 HA TYR A 18 12.361 7.230 -14.043 1.00 0.00 H new ATOM 0 HB2 TYR A 18 12.873 8.730 -11.435 1.00 0.00 H new ATOM 0 HB3 TYR A 18 11.513 9.037 -12.497 1.00 0.00 H new ATOM 0 HD1 TYR A 18 9.626 7.480 -12.632 1.00 0.00 H new ATOM 0 HD2 TYR A 18 12.976 6.727 -10.037 1.00 0.00 H new ATOM 0 HE1 TYR A 18 8.586 5.336 -11.916 1.00 0.00 H new ATOM 0 HE2 TYR A 18 11.778 4.761 -9.093 1.00 0.00 H new ATOM 0 HH TYR A 18 8.743 3.615 -10.235 1.00 0.00 H new ATOM 287 N PHE A 19 12.874 9.628 -14.875 1.00 0.00 N ATOM 288 CA PHE A 19 13.355 10.800 -15.604 1.00 0.00 C ATOM 289 C PHE A 19 12.603 12.055 -15.160 1.00 0.00 C ATOM 290 O PHE A 19 13.213 13.060 -14.812 1.00 0.00 O ATOM 291 CB PHE A 19 13.169 10.581 -17.110 1.00 0.00 C ATOM 292 CG PHE A 19 13.914 9.353 -17.603 1.00 0.00 C ATOM 293 CD1 PHE A 19 15.313 9.398 -17.766 1.00 0.00 C ATOM 294 CD2 PHE A 19 13.226 8.143 -17.826 1.00 0.00 C ATOM 295 CE1 PHE A 19 16.017 8.244 -18.156 1.00 0.00 C ATOM 296 CE2 PHE A 19 13.932 6.990 -18.213 1.00 0.00 C ATOM 297 CZ PHE A 19 15.326 7.040 -18.379 1.00 0.00 C ATOM 0 H PHE A 19 11.896 9.399 -15.050 1.00 0.00 H new ATOM 0 HA PHE A 19 14.414 10.939 -15.387 1.00 0.00 H new ATOM 0 HB2 PHE A 19 12.107 10.474 -17.332 1.00 0.00 H new ATOM 0 HB3 PHE A 19 13.521 11.460 -17.650 1.00 0.00 H new ATOM 0 HD1 PHE A 19 15.846 10.321 -17.591 1.00 0.00 H new ATOM 0 HD2 PHE A 19 12.154 8.101 -17.699 1.00 0.00 H new ATOM 0 HE1 PHE A 19 17.089 8.283 -18.284 1.00 0.00 H new ATOM 0 HE2 PHE A 19 13.402 6.065 -18.383 1.00 0.00 H new ATOM 0 HZ PHE A 19 15.867 6.154 -18.678 1.00 0.00 H new ATOM 307 N LYS A 20 11.265 11.981 -15.158 1.00 0.00 N ATOM 308 CA LYS A 20 10.425 13.085 -14.689 1.00 0.00 C ATOM 309 C LYS A 20 10.407 13.137 -13.159 1.00 0.00 C ATOM 310 O LYS A 20 9.974 12.193 -12.508 1.00 0.00 O ATOM 311 CB LYS A 20 8.987 12.905 -15.218 1.00 0.00 C ATOM 312 CG LYS A 20 8.854 13.446 -16.649 1.00 0.00 C ATOM 313 CD LYS A 20 7.430 13.229 -17.183 1.00 0.00 C ATOM 314 CE LYS A 20 7.250 13.809 -18.591 1.00 0.00 C ATOM 315 NZ LYS A 20 8.043 13.076 -19.599 1.00 0.00 N ATOM 0 H LYS A 20 10.743 11.165 -15.477 1.00 0.00 H new ATOM 0 HA LYS A 20 10.839 14.021 -15.065 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.718 11.849 -15.199 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.287 13.424 -14.563 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.095 14.509 -16.665 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.572 12.946 -17.300 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.208 12.162 -17.199 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.714 13.694 -16.505 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.196 13.775 -18.865 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.545 14.858 -18.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.840 13.457 -20.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.056 13.187 -19.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.792 12.067 -19.571 1.00 0.00 H new ATOM 329 N LEU A 21 10.781 14.287 -12.600 1.00 0.00 N ATOM 330 CA LEU A 21 10.713 14.498 -11.147 1.00 0.00 C ATOM 331 C LEU A 21 9.298 14.159 -10.617 1.00 0.00 C ATOM 332 O LEU A 21 9.154 13.451 -9.631 1.00 0.00 O ATOM 333 CB LEU A 21 11.063 15.966 -10.817 1.00 0.00 C ATOM 334 CG LEU A 21 11.352 16.282 -9.330 1.00 0.00 C ATOM 335 CD1 LEU A 21 12.135 17.598 -9.237 1.00 0.00 C ATOM 336 CD2 LEU A 21 10.095 16.456 -8.468 1.00 0.00 C ATOM 0 H LEU A 21 11.134 15.087 -13.125 1.00 0.00 H new ATOM 0 HA LEU A 21 11.432 13.838 -10.661 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.937 16.250 -11.404 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.238 16.597 -11.147 1.00 0.00 H new ATOM 0 HG LEU A 21 11.907 15.424 -8.951 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.341 17.825 -8.191 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.075 17.501 -9.780 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.545 18.404 -9.674 1.00 0.00 H new ATOM 0 HD21 LEU A 21 10.386 16.675 -7.441 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.497 17.279 -8.859 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.508 15.538 -8.491 1.00 0.00 H new ATOM 348 N SER A 22 8.268 14.668 -11.305 1.00 0.00 N ATOM 349 CA SER A 22 6.860 14.467 -10.901 1.00 0.00 C ATOM 350 C SER A 22 6.407 13.005 -11.054 1.00 0.00 C ATOM 351 O SER A 22 5.628 12.506 -10.246 1.00 0.00 O ATOM 352 CB SER A 22 5.953 15.368 -11.747 1.00 0.00 C ATOM 353 OG SER A 22 6.232 15.207 -13.128 1.00 0.00 O ATOM 0 H SER A 22 8.379 15.227 -12.151 1.00 0.00 H new ATOM 0 HA SER A 22 6.784 14.726 -9.845 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.908 15.126 -11.552 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.098 16.410 -11.461 1.00 0.00 H new ATOM 0 HG SER A 22 5.642 15.789 -13.651 1.00 0.00 H new ATOM 359 N HIS A 23 6.896 12.325 -12.095 1.00 0.00 N ATOM 360 CA HIS A 23 6.539 10.917 -12.309 1.00 0.00 C ATOM 361 C HIS A 23 7.236 10.035 -11.257 1.00 0.00 C ATOM 362 O HIS A 23 6.624 9.129 -10.689 1.00 0.00 O ATOM 363 CB HIS A 23 6.897 10.482 -13.762 1.00 0.00 C ATOM 364 CG HIS A 23 8.021 9.582 -14.251 1.00 0.00 C ATOM 365 ND1 HIS A 23 7.896 8.786 -15.370 1.00 0.00 N ATOM 366 CD2 HIS A 23 9.353 9.590 -13.940 1.00 0.00 C ATOM 367 CE1 HIS A 23 9.113 8.341 -15.719 1.00 0.00 C ATOM 368 NE2 HIS A 23 10.041 8.821 -14.883 1.00 0.00 N ATOM 0 H HIS A 23 7.529 12.717 -12.792 1.00 0.00 H new ATOM 0 HA HIS A 23 5.463 10.793 -12.189 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.987 10.021 -14.146 1.00 0.00 H new ATOM 0 HB3 HIS A 23 7.035 11.417 -14.305 1.00 0.00 H new ATOM 0 HD1 HIS A 23 7.023 8.571 -15.852 1.00 0.00 H new ATOM 0 HD2 HIS A 23 9.800 10.106 -13.103 1.00 0.00 H new ATOM 0 HE1 HIS A 23 9.315 7.688 -16.556 1.00 0.00 H new ATOM 376 N LEU A 24 8.456 10.433 -10.886 1.00 0.00 N ATOM 377 CA LEU A 24 9.151 9.838 -9.749 1.00 0.00 C ATOM 378 C LEU A 24 8.458 10.224 -8.406 1.00 0.00 C ATOM 379 O LEU A 24 8.452 9.445 -7.456 1.00 0.00 O ATOM 380 CB LEU A 24 10.617 10.281 -9.734 1.00 0.00 C ATOM 381 CG LEU A 24 11.566 9.686 -8.659 1.00 0.00 C ATOM 382 CD1 LEU A 24 11.800 10.684 -7.519 1.00 0.00 C ATOM 383 CD2 LEU A 24 11.198 8.323 -8.048 1.00 0.00 C ATOM 0 H LEU A 24 8.981 11.167 -11.360 1.00 0.00 H new ATOM 0 HA LEU A 24 9.109 8.754 -9.854 1.00 0.00 H new ATOM 0 HB2 LEU A 24 11.041 10.052 -10.712 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.633 11.365 -9.625 1.00 0.00 H new ATOM 0 HG LEU A 24 12.469 9.494 -9.239 1.00 0.00 H new ATOM 0 HD11 LEU A 24 12.468 10.242 -6.780 1.00 0.00 H new ATOM 0 HD12 LEU A 24 12.251 11.593 -7.918 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.848 10.928 -7.048 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.952 8.038 -7.315 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.226 8.394 -7.560 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.155 7.571 -8.836 1.00 0.00 H new ATOM 395 N GLN A 25 7.873 11.426 -8.348 1.00 0.00 N ATOM 396 CA GLN A 25 7.120 11.864 -7.164 1.00 0.00 C ATOM 397 C GLN A 25 5.857 10.993 -6.968 1.00 0.00 C ATOM 398 O GLN A 25 5.560 10.566 -5.853 1.00 0.00 O ATOM 399 CB GLN A 25 6.721 13.348 -7.307 1.00 0.00 C ATOM 400 CG GLN A 25 6.411 14.024 -5.964 1.00 0.00 C ATOM 401 CD GLN A 25 7.620 14.073 -5.029 1.00 0.00 C ATOM 402 OE1 GLN A 25 7.720 13.327 -4.067 1.00 0.00 O ATOM 403 NE2 GLN A 25 8.587 14.936 -5.279 1.00 0.00 N ATOM 0 H GLN A 25 7.905 12.111 -9.103 1.00 0.00 H new ATOM 0 HA GLN A 25 7.759 11.750 -6.288 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.529 13.889 -7.800 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.847 13.422 -7.954 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.058 15.039 -6.147 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.599 13.488 -5.472 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.515 15.564 -6.079 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.406 14.974 -4.672 1.00 0.00 H new ATOM 412 N MET A 26 5.165 10.668 -8.076 1.00 0.00 N ATOM 413 CA MET A 26 4.048 9.712 -8.032 1.00 0.00 C ATOM 414 C MET A 26 4.555 8.318 -7.647 1.00 0.00 C ATOM 415 O MET A 26 4.002 7.677 -6.755 1.00 0.00 O ATOM 416 CB MET A 26 3.331 9.650 -9.395 1.00 0.00 C ATOM 417 CG MET A 26 1.967 8.923 -9.268 1.00 0.00 C ATOM 418 SD MET A 26 1.984 7.097 -9.166 1.00 0.00 S ATOM 419 CE MET A 26 0.456 6.712 -8.238 1.00 0.00 C ATOM 0 H MET A 26 5.358 11.050 -9.002 1.00 0.00 H new ATOM 0 HA MET A 26 3.338 10.053 -7.279 1.00 0.00 H new ATOM 0 HB2 MET A 26 3.176 10.660 -9.775 1.00 0.00 H new ATOM 0 HB3 MET A 26 3.959 9.130 -10.118 1.00 0.00 H new ATOM 0 HG2 MET A 26 1.465 9.304 -8.379 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.355 9.205 -10.125 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.365 5.632 -8.118 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.498 7.184 -7.256 1.00 0.00 H new ATOM 0 HE3 MET A 26 -0.407 7.090 -8.786 1.00 0.00 H new ATOM 429 N HIS A 27 5.698 7.912 -8.228 1.00 0.00 N ATOM 430 CA HIS A 27 6.299 6.622 -7.903 1.00 0.00 C ATOM 431 C HIS A 27 6.587 6.541 -6.405 1.00 0.00 C ATOM 432 O HIS A 27 6.205 5.577 -5.749 1.00 0.00 O ATOM 433 CB HIS A 27 7.607 6.424 -8.691 1.00 0.00 C ATOM 434 CG HIS A 27 8.337 5.252 -8.105 1.00 0.00 C ATOM 435 ND1 HIS A 27 7.891 3.946 -8.104 1.00 0.00 N ATOM 436 CD2 HIS A 27 9.412 5.335 -7.265 1.00 0.00 C ATOM 437 CE1 HIS A 27 8.715 3.248 -7.303 1.00 0.00 C ATOM 438 NE2 HIS A 27 9.640 4.058 -6.786 1.00 0.00 N ATOM 0 H HIS A 27 6.214 8.458 -8.918 1.00 0.00 H new ATOM 0 HA HIS A 27 5.597 5.835 -8.179 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.392 6.249 -9.745 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.223 7.321 -8.636 1.00 0.00 H new ATOM 0 HD2 HIS A 27 9.974 6.225 -7.023 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.639 2.189 -7.107 1.00 0.00 H new ATOM 0 HE2 HIS A 27 10.387 3.783 -6.148 1.00 0.00 H new ATOM 446 N SER A 28 7.157 7.614 -5.849 1.00 0.00 N ATOM 447 CA SER A 28 7.472 7.671 -4.431 1.00 0.00 C ATOM 448 C SER A 28 6.220 7.490 -3.584 1.00 0.00 C ATOM 449 O SER A 28 6.267 6.846 -2.545 1.00 0.00 O ATOM 450 CB SER A 28 8.123 9.023 -4.099 1.00 0.00 C ATOM 451 OG SER A 28 9.239 9.293 -4.931 1.00 0.00 O ATOM 0 H SER A 28 7.408 8.455 -6.368 1.00 0.00 H new ATOM 0 HA SER A 28 8.164 6.860 -4.203 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.386 9.818 -4.212 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.439 9.027 -3.056 1.00 0.00 H new ATOM 0 HG SER A 28 8.934 9.717 -5.760 1.00 0.00 H new ATOM 457 N ARG A 29 5.076 8.013 -4.068 1.00 0.00 N ATOM 458 CA ARG A 29 3.789 7.866 -3.363 1.00 0.00 C ATOM 459 C ARG A 29 3.474 6.383 -3.111 1.00 0.00 C ATOM 460 O ARG A 29 2.961 6.023 -2.049 1.00 0.00 O ATOM 461 CB ARG A 29 2.655 8.530 -4.167 1.00 0.00 C ATOM 462 CG ARG A 29 1.922 9.587 -3.319 1.00 0.00 C ATOM 463 CD ARG A 29 2.738 10.880 -3.098 1.00 0.00 C ATOM 464 NE ARG A 29 3.851 10.723 -2.136 1.00 0.00 N ATOM 465 CZ ARG A 29 5.095 11.180 -2.248 1.00 0.00 C ATOM 466 NH1 ARG A 29 5.523 11.809 -3.312 1.00 0.00 N ATOM 467 NH2 ARG A 29 5.955 10.998 -1.276 1.00 0.00 N ATOM 0 H ARG A 29 5.018 8.538 -4.940 1.00 0.00 H new ATOM 0 HA ARG A 29 3.868 8.367 -2.398 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.065 8.997 -5.062 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.947 7.771 -4.499 1.00 0.00 H new ATOM 0 HG2 ARG A 29 0.980 9.841 -3.805 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.674 9.154 -2.350 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.140 11.213 -4.055 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.070 11.665 -2.743 1.00 0.00 H new ATOM 0 HE ARG A 29 3.639 10.202 -1.285 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.894 11.966 -4.099 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.486 12.142 -3.354 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.671 10.504 -0.430 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.908 11.350 -1.366 1.00 0.00 H new ATOM 481 N LYS A 30 3.806 5.526 -4.089 1.00 0.00 N ATOM 482 CA LYS A 30 3.616 4.073 -3.955 1.00 0.00 C ATOM 483 C LYS A 30 4.343 3.528 -2.710 1.00 0.00 C ATOM 484 O LYS A 30 3.811 2.677 -2.000 1.00 0.00 O ATOM 485 CB LYS A 30 4.150 3.370 -5.213 1.00 0.00 C ATOM 486 CG LYS A 30 3.895 1.865 -5.330 1.00 0.00 C ATOM 487 CD LYS A 30 4.458 1.346 -6.670 1.00 0.00 C ATOM 488 CE LYS A 30 5.972 1.516 -6.828 1.00 0.00 C ATOM 489 NZ LYS A 30 6.717 0.686 -5.867 1.00 0.00 N ATOM 0 H LYS A 30 4.207 5.814 -4.981 1.00 0.00 H new ATOM 0 HA LYS A 30 2.550 3.875 -3.841 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.712 3.856 -6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.226 3.536 -5.263 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.366 1.341 -4.499 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.826 1.662 -5.270 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.211 0.289 -6.769 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.959 1.868 -7.486 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.264 1.248 -7.843 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.237 2.564 -6.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.736 0.866 -5.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.419 0.924 -4.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.522 -0.319 -6.052 1.00 0.00 H new ATOM 503 N HIS A 31 5.544 4.057 -2.432 1.00 0.00 N ATOM 504 CA HIS A 31 6.328 3.626 -1.266 1.00 0.00 C ATOM 505 C HIS A 31 5.939 4.433 -0.015 1.00 0.00 C ATOM 506 O HIS A 31 5.958 3.912 1.092 1.00 0.00 O ATOM 507 CB HIS A 31 7.817 3.780 -1.555 1.00 0.00 C ATOM 508 CG HIS A 31 8.263 2.751 -2.568 1.00 0.00 C ATOM 509 ND1 HIS A 31 7.962 1.398 -2.555 1.00 0.00 N ATOM 510 CD2 HIS A 31 9.077 2.986 -3.644 1.00 0.00 C ATOM 511 CE1 HIS A 31 8.626 0.832 -3.575 1.00 0.00 C ATOM 512 NE2 HIS A 31 9.307 1.755 -4.267 1.00 0.00 N ATOM 0 H HIS A 31 5.991 4.780 -2.996 1.00 0.00 H new ATOM 0 HA HIS A 31 6.110 2.576 -1.072 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.020 4.783 -1.931 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.387 3.664 -0.633 1.00 0.00 H new ATOM 0 HD1 HIS A 31 7.350 0.921 -1.893 1.00 0.00 H new ATOM 0 HD2 HIS A 31 9.468 3.944 -3.954 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.613 -0.223 -3.806 1.00 0.00 H new ATOM 520 N THR A 32 5.594 5.710 -0.210 1.00 0.00 N ATOM 521 CA THR A 32 5.017 6.535 0.870 1.00 0.00 C ATOM 522 C THR A 32 3.861 5.795 1.570 1.00 0.00 C ATOM 523 O THR A 32 3.678 5.924 2.782 1.00 0.00 O ATOM 524 CB THR A 32 4.492 7.870 0.296 1.00 0.00 C ATOM 525 OG1 THR A 32 5.356 8.936 0.602 1.00 0.00 O ATOM 526 CG2 THR A 32 3.068 8.327 0.619 1.00 0.00 C ATOM 0 H THR A 32 5.701 6.198 -1.099 1.00 0.00 H new ATOM 0 HA THR A 32 5.803 6.732 1.599 1.00 0.00 H new ATOM 0 HB THR A 32 4.461 7.615 -0.763 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.857 9.638 1.070 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.873 9.283 0.132 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.357 7.584 0.258 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.958 8.440 1.698 1.00 0.00 H new ATOM 592 N TYR A 37 7.424 -2.073 8.805 1.00 0.00 N ATOM 593 CA TYR A 37 7.362 -2.386 10.248 1.00 0.00 C ATOM 594 C TYR A 37 7.812 -3.842 10.513 1.00 0.00 C ATOM 595 O TYR A 37 8.095 -4.591 9.584 1.00 0.00 O ATOM 596 CB TYR A 37 5.918 -2.210 10.768 1.00 0.00 C ATOM 597 CG TYR A 37 5.220 -0.873 10.626 1.00 0.00 C ATOM 598 CD1 TYR A 37 4.511 -0.584 9.449 1.00 0.00 C ATOM 599 CD2 TYR A 37 5.155 0.014 11.721 1.00 0.00 C ATOM 600 CE1 TYR A 37 3.746 0.589 9.360 1.00 0.00 C ATOM 601 CE2 TYR A 37 4.364 1.178 11.648 1.00 0.00 C ATOM 602 CZ TYR A 37 3.643 1.454 10.465 1.00 0.00 C ATOM 603 OH TYR A 37 2.809 2.520 10.381 1.00 0.00 O ATOM 0 HA TYR A 37 8.031 -1.701 10.769 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.300 -2.954 10.265 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.922 -2.463 11.828 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.554 -1.265 8.612 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.714 -0.200 12.620 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.234 0.829 8.440 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.309 1.853 12.489 1.00 0.00 H new ATOM 0 HH TYR A 37 2.840 3.027 11.219 1.00 0.00 H new ATOM 613 N GLN A 38 7.821 -4.233 11.794 1.00 0.00 N ATOM 614 CA GLN A 38 8.002 -5.641 12.187 1.00 0.00 C ATOM 615 C GLN A 38 6.952 -6.032 13.225 1.00 0.00 C ATOM 616 O GLN A 38 6.386 -5.166 13.898 1.00 0.00 O ATOM 617 CB GLN A 38 9.416 -5.865 12.759 1.00 0.00 C ATOM 618 CG GLN A 38 9.714 -5.238 14.139 1.00 0.00 C ATOM 619 CD GLN A 38 10.438 -6.223 15.055 1.00 0.00 C ATOM 620 OE1 GLN A 38 11.657 -6.285 15.081 1.00 0.00 O ATOM 621 NE2 GLN A 38 9.727 -7.024 15.830 1.00 0.00 N ATOM 0 H GLN A 38 7.705 -3.593 12.580 1.00 0.00 H new ATOM 0 HA GLN A 38 7.881 -6.267 11.303 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.588 -6.939 12.829 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.139 -5.472 12.044 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.324 -4.344 14.010 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.781 -4.923 14.606 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.708 -6.978 15.813 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.197 -7.688 16.445 1.00 0.00 H new ATOM 630 N CYS A 39 6.657 -7.330 13.306 1.00 0.00 N ATOM 631 CA CYS A 39 5.640 -7.835 14.231 1.00 0.00 C ATOM 632 C CYS A 39 5.858 -7.271 15.649 1.00 0.00 C ATOM 633 O CYS A 39 6.986 -7.246 16.157 1.00 0.00 O ATOM 634 CB CYS A 39 5.674 -9.358 14.272 1.00 0.00 C ATOM 635 SG CYS A 39 4.202 -9.844 15.212 1.00 0.00 S ATOM 0 H CYS A 39 7.107 -8.051 12.743 1.00 0.00 H new ATOM 0 HA CYS A 39 4.664 -7.507 13.873 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.656 -9.779 13.267 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.584 -9.718 14.752 1.00 0.00 H new ATOM 0 HG CYS A 39 4.362 -11.047 15.677 1.00 0.00 H new ATOM 731 N ARG A 46 8.533 -10.872 12.339 1.00 0.00 N ATOM 732 CA ARG A 46 8.166 -10.903 10.922 1.00 0.00 C ATOM 733 C ARG A 46 7.971 -9.494 10.403 1.00 0.00 C ATOM 734 O ARG A 46 7.268 -8.695 11.012 1.00 0.00 O ATOM 735 CB ARG A 46 6.869 -11.709 10.734 1.00 0.00 C ATOM 736 CG ARG A 46 7.110 -13.219 10.885 1.00 0.00 C ATOM 737 CD ARG A 46 5.779 -13.961 11.025 1.00 0.00 C ATOM 738 NE ARG A 46 5.971 -15.418 11.129 1.00 0.00 N ATOM 739 CZ ARG A 46 6.107 -16.123 12.250 1.00 0.00 C ATOM 740 NH1 ARG A 46 6.115 -15.590 13.450 1.00 0.00 N ATOM 741 NH2 ARG A 46 6.245 -17.430 12.178 1.00 0.00 N ATOM 0 HA ARG A 46 8.970 -11.380 10.361 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.129 -11.384 11.466 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.453 -11.504 9.748 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.654 -13.595 10.018 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.733 -13.409 11.759 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.253 -13.600 11.909 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.147 -13.738 10.165 1.00 0.00 H new ATOM 0 HE ARG A 46 6.003 -15.940 10.253 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.013 -14.581 13.561 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.223 -16.185 14.272 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.247 -17.893 11.269 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.350 -17.980 13.031 1.00 0.00 H new ATOM 755 N ARG A 47 8.633 -9.170 9.295 1.00 0.00 N ATOM 756 CA ARG A 47 8.609 -7.815 8.763 1.00 0.00 C ATOM 757 C ARG A 47 7.440 -7.630 7.803 1.00 0.00 C ATOM 758 O ARG A 47 7.066 -8.548 7.076 1.00 0.00 O ATOM 759 CB ARG A 47 9.936 -7.504 8.039 1.00 0.00 C ATOM 760 CG ARG A 47 10.257 -8.296 6.747 1.00 0.00 C ATOM 761 CD ARG A 47 10.052 -7.524 5.425 1.00 0.00 C ATOM 762 NE ARG A 47 8.650 -7.495 4.976 1.00 0.00 N ATOM 763 CZ ARG A 47 8.157 -6.887 3.902 1.00 0.00 C ATOM 764 NH1 ARG A 47 8.901 -6.190 3.073 1.00 0.00 N ATOM 765 NH2 ARG A 47 6.875 -6.964 3.625 1.00 0.00 N ATOM 0 H ARG A 47 9.191 -9.828 8.751 1.00 0.00 H new ATOM 0 HA ARG A 47 8.485 -7.124 9.597 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.941 -6.443 7.791 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.750 -7.671 8.745 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.293 -8.631 6.795 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.634 -9.190 6.726 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.406 -6.501 5.552 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.665 -7.980 4.648 1.00 0.00 H new ATOM 0 HE ARG A 47 7.980 -8.000 5.556 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.903 -6.098 3.241 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.477 -5.741 2.261 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.252 -7.493 4.236 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.503 -6.495 2.799 1.00 0.00 H new ATOM 779 N PHE A 48 6.925 -6.410 7.758 1.00 0.00 N ATOM 780 CA PHE A 48 5.866 -6.029 6.834 1.00 0.00 C ATOM 781 C PHE A 48 6.217 -4.700 6.175 1.00 0.00 C ATOM 782 O PHE A 48 7.076 -3.972 6.667 1.00 0.00 O ATOM 783 CB PHE A 48 4.538 -5.903 7.597 1.00 0.00 C ATOM 784 CG PHE A 48 4.161 -7.228 8.233 1.00 0.00 C ATOM 785 CD1 PHE A 48 3.640 -8.256 7.427 1.00 0.00 C ATOM 786 CD2 PHE A 48 4.509 -7.500 9.570 1.00 0.00 C ATOM 787 CE1 PHE A 48 3.534 -9.562 7.931 1.00 0.00 C ATOM 788 CE2 PHE A 48 4.390 -8.804 10.079 1.00 0.00 C ATOM 789 CZ PHE A 48 3.951 -9.843 9.242 1.00 0.00 C ATOM 0 H PHE A 48 7.232 -5.651 8.366 1.00 0.00 H new ATOM 0 HA PHE A 48 5.763 -6.793 6.063 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.626 -5.136 8.366 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.750 -5.583 6.916 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.321 -8.040 6.418 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.868 -6.704 10.206 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.132 -10.350 7.311 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.635 -9.007 11.111 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.934 -10.859 9.607 1.00 0.00 H new ATOM 799 N SER A 49 5.570 -4.389 5.052 1.00 0.00 N ATOM 800 CA SER A 49 5.875 -3.159 4.313 1.00 0.00 C ATOM 801 C SER A 49 4.752 -2.128 4.450 1.00 0.00 C ATOM 802 O SER A 49 4.804 -1.082 3.824 1.00 0.00 O ATOM 803 CB SER A 49 6.120 -3.474 2.821 1.00 0.00 C ATOM 804 OG SER A 49 4.970 -3.708 2.025 1.00 0.00 O ATOM 0 H SER A 49 4.838 -4.964 4.635 1.00 0.00 H new ATOM 0 HA SER A 49 6.781 -2.732 4.744 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.674 -2.643 2.384 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.762 -4.353 2.759 1.00 0.00 H new ATOM 0 HG SER A 49 5.243 -3.895 1.103 1.00 0.00 H new ATOM 810 N ARG A 50 3.755 -2.409 5.314 1.00 0.00 N ATOM 811 CA ARG A 50 2.664 -1.454 5.566 1.00 0.00 C ATOM 812 C ARG A 50 1.976 -1.721 6.915 1.00 0.00 C ATOM 813 O ARG A 50 1.992 -2.847 7.433 1.00 0.00 O ATOM 814 CB ARG A 50 1.638 -1.537 4.432 1.00 0.00 C ATOM 815 CG ARG A 50 0.706 -0.316 4.343 1.00 0.00 C ATOM 816 CD ARG A 50 0.198 -0.130 2.908 1.00 0.00 C ATOM 817 NE ARG A 50 -0.347 -1.392 2.379 1.00 0.00 N ATOM 818 CZ ARG A 50 0.107 -2.104 1.359 1.00 0.00 C ATOM 819 NH1 ARG A 50 1.129 -1.733 0.624 1.00 0.00 N ATOM 820 NH2 ARG A 50 -0.403 -3.274 1.099 1.00 0.00 N ATOM 0 H ARG A 50 3.685 -3.279 5.842 1.00 0.00 H new ATOM 0 HA ARG A 50 3.093 -0.453 5.605 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.166 -1.648 3.485 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.034 -2.434 4.567 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.138 -0.446 5.020 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.238 0.579 4.665 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.572 0.641 2.887 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.012 0.215 2.271 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.171 -1.761 2.854 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.613 -0.859 0.828 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.439 -2.319 -0.151 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.154 -3.644 1.682 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.051 -3.820 0.313 1.00 0.00 H new ATOM 834 N SER A 51 1.335 -0.675 7.454 1.00 0.00 N ATOM 835 CA SER A 51 0.639 -0.755 8.742 1.00 0.00 C ATOM 836 C SER A 51 -0.449 -1.830 8.712 1.00 0.00 C ATOM 837 O SER A 51 -0.573 -2.619 9.643 1.00 0.00 O ATOM 838 CB SER A 51 0.008 0.605 9.074 1.00 0.00 C ATOM 839 OG SER A 51 -0.617 0.590 10.338 1.00 0.00 O ATOM 0 H SER A 51 1.285 0.243 7.012 1.00 0.00 H new ATOM 0 HA SER A 51 1.367 -1.022 9.508 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.776 1.378 9.056 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.723 0.865 8.308 1.00 0.00 H new ATOM 0 HG SER A 51 -1.007 1.470 10.520 1.00 0.00 H new ATOM 845 N ASP A 52 -1.232 -1.864 7.625 1.00 0.00 N ATOM 846 CA ASP A 52 -2.350 -2.801 7.510 1.00 0.00 C ATOM 847 C ASP A 52 -1.854 -4.247 7.402 1.00 0.00 C ATOM 848 O ASP A 52 -2.477 -5.151 7.934 1.00 0.00 O ATOM 849 CB ASP A 52 -3.205 -2.449 6.295 1.00 0.00 C ATOM 850 CG ASP A 52 -2.743 -2.972 4.932 1.00 0.00 C ATOM 851 OD1 ASP A 52 -1.587 -2.653 4.578 1.00 0.00 O ATOM 852 OD2 ASP A 52 -3.543 -3.657 4.253 1.00 0.00 O ATOM 0 H ASP A 52 -1.110 -1.254 6.817 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.955 -2.718 8.413 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.214 -2.821 6.474 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.272 -1.363 6.234 1.00 0.00 H new ATOM 857 N GLN A 53 -0.702 -4.447 6.748 1.00 0.00 N ATOM 858 CA GLN A 53 -0.076 -5.769 6.674 1.00 0.00 C ATOM 859 C GLN A 53 0.315 -6.255 8.072 1.00 0.00 C ATOM 860 O GLN A 53 0.034 -7.394 8.442 1.00 0.00 O ATOM 861 CB GLN A 53 1.170 -5.713 5.792 1.00 0.00 C ATOM 862 CG GLN A 53 0.951 -5.507 4.295 1.00 0.00 C ATOM 863 CD GLN A 53 2.296 -5.182 3.648 1.00 0.00 C ATOM 864 OE1 GLN A 53 3.335 -5.733 3.998 1.00 0.00 O ATOM 865 NE2 GLN A 53 2.327 -4.290 2.683 1.00 0.00 N ATOM 0 H GLN A 53 -0.188 -3.711 6.265 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.796 -6.464 6.242 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.806 -4.906 6.155 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.724 -6.642 5.929 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.523 -6.404 3.848 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.243 -4.696 4.124 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.467 -3.828 2.387 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.211 -4.059 2.230 1.00 0.00 H new ATOM 874 N LEU A 54 0.945 -5.368 8.855 1.00 0.00 N ATOM 875 CA LEU A 54 1.331 -5.685 10.235 1.00 0.00 C ATOM 876 C LEU A 54 0.080 -5.914 11.122 1.00 0.00 C ATOM 877 O LEU A 54 0.016 -6.886 11.872 1.00 0.00 O ATOM 878 CB LEU A 54 2.183 -4.532 10.810 1.00 0.00 C ATOM 879 CG LEU A 54 2.474 -4.587 12.319 1.00 0.00 C ATOM 880 CD1 LEU A 54 3.112 -5.904 12.741 1.00 0.00 C ATOM 881 CD2 LEU A 54 3.464 -3.491 12.713 1.00 0.00 C ATOM 0 H LEU A 54 1.197 -4.426 8.555 1.00 0.00 H new ATOM 0 HA LEU A 54 1.916 -6.605 10.230 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.134 -4.512 10.279 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.677 -3.591 10.593 1.00 0.00 H new ATOM 0 HG LEU A 54 1.509 -4.464 12.810 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.297 -5.891 13.815 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.441 -6.728 12.498 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.056 -6.037 12.212 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.659 -3.544 13.784 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.397 -3.630 12.167 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.043 -2.516 12.469 1.00 0.00 H new ATOM 893 N LYS A 55 -0.918 -5.025 11.004 1.00 0.00 N ATOM 894 CA LYS A 55 -2.177 -5.152 11.773 1.00 0.00 C ATOM 895 C LYS A 55 -2.937 -6.424 11.371 1.00 0.00 C ATOM 896 O LYS A 55 -3.481 -7.120 12.222 1.00 0.00 O ATOM 897 CB LYS A 55 -3.064 -3.918 11.534 1.00 0.00 C ATOM 898 CG LYS A 55 -2.519 -2.688 12.285 1.00 0.00 C ATOM 899 CD LYS A 55 -3.265 -1.391 11.941 1.00 0.00 C ATOM 900 CE LYS A 55 -4.705 -1.415 12.467 1.00 0.00 C ATOM 901 NZ LYS A 55 -5.406 -0.149 12.175 1.00 0.00 N ATOM 0 H LYS A 55 -0.884 -4.213 10.388 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.927 -5.219 12.832 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.114 -3.703 10.466 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.081 -4.128 11.864 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.588 -2.866 13.358 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.462 -2.565 12.049 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.734 -0.540 12.369 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.274 -1.251 10.860 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.246 -2.245 12.013 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.698 -1.589 13.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.377 -0.197 12.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.902 0.639 12.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.433 0.004 11.147 1.00 0.00 H new ATOM 915 N ARG A 56 -2.909 -6.753 10.072 1.00 0.00 N ATOM 916 CA ARG A 56 -3.445 -8.028 9.577 1.00 0.00 C ATOM 917 C ARG A 56 -2.689 -9.199 10.202 1.00 0.00 C ATOM 918 O ARG A 56 -3.297 -10.137 10.706 1.00 0.00 O ATOM 919 CB ARG A 56 -3.324 -8.085 8.040 1.00 0.00 C ATOM 920 CG ARG A 56 -3.677 -9.428 7.373 1.00 0.00 C ATOM 921 CD ARG A 56 -3.232 -9.446 5.901 1.00 0.00 C ATOM 922 NE ARG A 56 -1.760 -9.435 5.772 1.00 0.00 N ATOM 923 CZ ARG A 56 -1.064 -9.512 4.642 1.00 0.00 C ATOM 924 NH1 ARG A 56 -1.630 -9.632 3.463 1.00 0.00 N ATOM 925 NH2 ARG A 56 0.247 -9.470 4.665 1.00 0.00 N ATOM 0 H ARG A 56 -2.520 -6.153 9.345 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.496 -8.100 9.857 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.969 -7.314 7.618 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.300 -7.828 7.768 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.195 -10.244 7.912 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.752 -9.597 7.434 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.633 -10.333 5.411 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.648 -8.581 5.385 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.224 -9.361 6.637 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.646 -9.670 3.387 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.053 -9.687 2.624 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.739 -9.378 5.554 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.775 -9.530 3.794 1.00 0.00 H new ATOM 939 N HIS A 57 -1.354 -9.103 10.223 1.00 0.00 N ATOM 940 CA HIS A 57 -0.511 -10.165 10.767 1.00 0.00 C ATOM 941 C HIS A 57 -0.825 -10.407 12.252 1.00 0.00 C ATOM 942 O HIS A 57 -0.942 -11.549 12.685 1.00 0.00 O ATOM 943 CB HIS A 57 0.968 -9.792 10.606 1.00 0.00 C ATOM 944 CG HIS A 57 1.851 -10.841 11.237 1.00 0.00 C ATOM 945 ND1 HIS A 57 1.845 -12.184 10.931 1.00 0.00 N ATOM 946 CD2 HIS A 57 2.706 -10.660 12.289 1.00 0.00 C ATOM 947 CE1 HIS A 57 2.674 -12.800 11.789 1.00 0.00 C ATOM 948 NE2 HIS A 57 3.217 -11.913 12.625 1.00 0.00 N ATOM 0 H HIS A 57 -0.838 -8.298 9.868 1.00 0.00 H new ATOM 0 HA HIS A 57 -0.717 -11.082 10.215 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.211 -9.693 9.548 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.157 -8.823 11.069 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.941 -9.722 12.770 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.873 -13.861 11.801 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.882 -12.114 13.371 1.00 0.00 H new ATOM 956 N GLN A 58 -1.064 -9.324 12.999 1.00 0.00 N ATOM 957 CA GLN A 58 -1.466 -9.424 14.406 1.00 0.00 C ATOM 958 C GLN A 58 -2.697 -10.347 14.570 1.00 0.00 C ATOM 959 O GLN A 58 -2.792 -11.084 15.549 1.00 0.00 O ATOM 960 CB GLN A 58 -1.755 -8.031 14.998 1.00 0.00 C ATOM 961 CG GLN A 58 -0.473 -7.198 15.257 1.00 0.00 C ATOM 962 CD GLN A 58 0.720 -8.037 15.737 1.00 0.00 C ATOM 963 OE1 GLN A 58 0.672 -8.684 16.775 1.00 0.00 O ATOM 964 NE2 GLN A 58 1.786 -8.091 14.960 1.00 0.00 N ATOM 0 H GLN A 58 -0.986 -8.368 12.653 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.635 -9.865 14.956 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.405 -7.482 14.317 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.300 -8.148 15.935 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.196 -6.679 14.339 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.691 -6.433 16.002 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.816 -7.548 14.097 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.579 -8.676 15.223 1.00 0.00 H new ATOM 973 N ARG A 59 -3.649 -10.289 13.617 1.00 0.00 N ATOM 974 CA ARG A 59 -4.870 -11.131 13.687 1.00 0.00 C ATOM 975 C ARG A 59 -4.503 -12.630 13.815 1.00 0.00 C ATOM 976 O ARG A 59 -5.182 -13.379 14.516 1.00 0.00 O ATOM 977 CB ARG A 59 -5.743 -10.919 12.439 1.00 0.00 C ATOM 978 CG ARG A 59 -6.144 -9.451 12.247 1.00 0.00 C ATOM 979 CD ARG A 59 -6.963 -9.238 10.975 1.00 0.00 C ATOM 980 NE ARG A 59 -7.053 -7.802 10.672 1.00 0.00 N ATOM 981 CZ ARG A 59 -7.324 -7.257 9.492 1.00 0.00 C ATOM 982 NH1 ARG A 59 -7.714 -7.967 8.456 1.00 0.00 N ATOM 983 NH2 ARG A 59 -7.196 -5.959 9.331 1.00 0.00 N ATOM 0 H ARG A 59 -3.602 -9.680 12.800 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.431 -10.831 14.572 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.202 -11.263 11.558 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.642 -11.531 12.520 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.722 -9.118 13.109 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.247 -8.833 12.207 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.500 -9.766 10.141 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.962 -9.655 11.101 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.891 -7.159 11.447 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.819 -8.978 8.541 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.912 -7.507 7.568 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.890 -5.376 10.110 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.403 -5.534 8.427 1.00 0.00 H new ATOM 997 N ARG A 60 -3.379 -13.035 13.185 1.00 0.00 N ATOM 998 CA ARG A 60 -2.861 -14.420 13.301 1.00 0.00 C ATOM 999 C ARG A 60 -2.385 -14.716 14.736 1.00 0.00 C ATOM 1000 O ARG A 60 -2.560 -15.825 15.234 1.00 0.00 O ATOM 1001 CB ARG A 60 -1.683 -14.623 12.316 1.00 0.00 C ATOM 1002 CG ARG A 60 -0.982 -15.992 12.378 1.00 0.00 C ATOM 1003 CD ARG A 60 0.340 -15.947 11.596 1.00 0.00 C ATOM 1004 NE ARG A 60 1.021 -17.252 11.617 1.00 0.00 N ATOM 1005 CZ ARG A 60 2.033 -17.653 10.853 1.00 0.00 C ATOM 1006 NH1 ARG A 60 2.542 -16.923 9.882 1.00 0.00 N ATOM 1007 NH2 ARG A 60 2.561 -18.839 11.049 1.00 0.00 N ATOM 0 H ARG A 60 -2.813 -12.427 12.593 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.671 -15.107 13.057 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.053 -14.472 11.302 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.940 -13.848 12.504 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.790 -16.264 13.416 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.633 -16.761 11.962 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.145 -15.653 10.565 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.993 -15.187 12.025 1.00 0.00 H new ATOM 0 HE ARG A 60 0.676 -17.929 12.298 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.159 -15.998 9.685 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.319 -17.282 9.328 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.195 -19.445 11.783 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.337 -19.154 10.467 1.00 0.00 H new ATOM 1021 N HIS A 61 -1.756 -13.722 15.380 1.00 0.00 N ATOM 1022 CA HIS A 61 -1.186 -13.903 16.727 1.00 0.00 C ATOM 1023 C HIS A 61 -2.262 -13.748 17.806 1.00 0.00 C ATOM 1024 O HIS A 61 -2.178 -14.364 18.866 1.00 0.00 O ATOM 1025 CB HIS A 61 -0.066 -12.876 16.965 1.00 0.00 C ATOM 1026 CG HIS A 61 1.279 -13.320 16.451 1.00 0.00 C ATOM 1027 ND1 HIS A 61 1.919 -14.494 16.791 1.00 0.00 N ATOM 1028 CD2 HIS A 61 2.137 -12.589 15.673 1.00 0.00 C ATOM 1029 CE1 HIS A 61 3.137 -14.471 16.223 1.00 0.00 C ATOM 1030 NE2 HIS A 61 3.311 -13.334 15.542 1.00 0.00 N ATOM 0 H HIS A 61 -1.628 -12.787 14.993 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.778 -14.912 16.789 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.338 -11.937 16.483 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.011 -12.676 18.034 1.00 0.00 H new ATOM 0 HD1 HIS A 61 1.537 -15.243 17.368 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.942 -11.618 15.242 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.871 -15.259 16.305 1.00 0.00 H new ATOM 1038 N THR A 62 -3.260 -12.905 17.533 1.00 0.00 N ATOM 1039 CA THR A 62 -4.351 -12.659 18.477 1.00 0.00 C ATOM 1040 C THR A 62 -5.374 -13.794 18.431 1.00 0.00 C ATOM 1041 O THR A 62 -5.771 -14.311 19.473 1.00 0.00 O ATOM 1042 CB THR A 62 -5.062 -11.332 18.173 1.00 0.00 C ATOM 1043 OG1 THR A 62 -5.342 -11.212 16.809 1.00 0.00 O ATOM 1044 CG2 THR A 62 -4.200 -10.128 18.550 1.00 0.00 C ATOM 0 H THR A 62 -3.335 -12.379 16.662 1.00 0.00 H new ATOM 0 HA THR A 62 -3.910 -12.606 19.472 1.00 0.00 H new ATOM 0 HB THR A 62 -5.979 -11.343 18.762 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.515 -11.017 16.321 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.738 -9.209 18.320 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.977 -10.160 19.616 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.269 -10.155 17.983 1.00 0.00 H new ATOM 1052 N GLY A 63 -5.829 -14.164 17.212 1.00 0.00 N ATOM 1053 CA GLY A 63 -6.845 -15.219 17.065 1.00 0.00 C ATOM 1054 C GLY A 63 -8.187 -14.668 16.526 1.00 0.00 C ATOM 1055 O GLY A 63 -9.134 -15.425 16.314 1.00 0.00 O ATOM 0 H GLY A 63 -5.513 -13.753 16.334 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.472 -15.988 16.389 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.012 -15.697 18.030 1.00 0.00 H new ATOM 1059 N VAL A 64 -8.263 -13.337 16.341 1.00 0.00 N ATOM 1060 CA VAL A 64 -9.523 -12.665 15.967 1.00 0.00 C ATOM 1061 C VAL A 64 -9.901 -12.952 14.495 1.00 0.00 C ATOM 1062 O VAL A 64 -9.046 -12.928 13.599 1.00 0.00 O ATOM 1063 CB VAL A 64 -9.393 -11.139 16.192 1.00 0.00 C ATOM 1064 CG1 VAL A 64 -8.504 -10.396 15.187 1.00 0.00 C ATOM 1065 CG2 VAL A 64 -10.769 -10.465 16.253 1.00 0.00 C ATOM 0 H VAL A 64 -7.468 -12.706 16.444 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.317 -13.060 16.601 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.885 -11.061 17.153 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.482 -9.335 15.436 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.492 -10.800 15.228 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.905 -10.525 14.182 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.643 -9.394 16.412 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -11.298 -10.633 15.315 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.345 -10.888 17.076 1.00 0.00 H new ATOM 1075 N LYS A 65 -11.202 -13.190 14.260 1.00 0.00 N ATOM 1076 CA LYS A 65 -11.731 -13.455 12.909 1.00 0.00 C ATOM 1077 C LYS A 65 -13.081 -12.717 12.705 1.00 0.00 C ATOM 1078 O LYS A 65 -14.148 -13.295 12.911 1.00 0.00 O ATOM 1079 CB LYS A 65 -11.932 -14.976 12.714 1.00 0.00 C ATOM 1080 CG LYS A 65 -10.660 -15.828 12.822 1.00 0.00 C ATOM 1081 CD LYS A 65 -10.974 -17.327 12.900 1.00 0.00 C ATOM 1082 CE LYS A 65 -9.696 -18.129 13.174 1.00 0.00 C ATOM 1083 NZ LYS A 65 -9.224 -17.951 14.565 1.00 0.00 N ATOM 0 H LYS A 65 -11.912 -13.205 14.992 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.015 -13.088 12.174 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.649 -15.328 13.456 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.379 -15.143 11.734 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.022 -15.636 11.960 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.098 -15.529 13.707 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.703 -17.511 13.689 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.426 -17.659 11.965 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.883 -19.186 12.986 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.915 -17.815 12.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.419 -18.585 14.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.925 -16.965 14.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.995 -18.178 15.225 1.00 0.00 H new ATOM 1097 N PRO A 66 -13.033 -11.402 12.387 1.00 0.00 N ATOM 1098 CA PRO A 66 -14.229 -10.555 12.341 1.00 0.00 C ATOM 1099 C PRO A 66 -15.049 -10.725 11.040 1.00 0.00 C ATOM 1100 O PRO A 66 -16.228 -10.381 11.001 1.00 0.00 O ATOM 1101 CB PRO A 66 -13.667 -9.132 12.442 1.00 0.00 C ATOM 1102 CG PRO A 66 -12.284 -9.225 11.800 1.00 0.00 C ATOM 1103 CD PRO A 66 -11.816 -10.628 12.182 1.00 0.00 C ATOM 0 HA PRO A 66 -14.927 -10.813 13.137 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -14.301 -8.416 11.919 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -13.603 -8.803 13.479 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.333 -9.097 10.719 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.610 -8.458 12.182 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -11.201 -11.065 11.395 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -11.208 -10.606 13.086 1.00 0.00 H new ATOM 1111 N PHE A 67 -14.416 -11.257 9.983 1.00 0.00 N ATOM 1112 CA PHE A 67 -15.099 -11.455 8.694 1.00 0.00 C ATOM 1113 C PHE A 67 -15.887 -12.785 8.702 1.00 0.00 C ATOM 1114 O PHE A 67 -15.349 -13.825 8.378 1.00 0.00 O ATOM 1115 CB PHE A 67 -14.063 -11.457 7.547 1.00 0.00 C ATOM 1116 CG PHE A 67 -13.297 -10.155 7.387 1.00 0.00 C ATOM 1117 CD1 PHE A 67 -13.841 -9.096 6.633 1.00 0.00 C ATOM 1118 CD2 PHE A 67 -12.042 -9.993 8.002 1.00 0.00 C ATOM 1119 CE1 PHE A 67 -13.151 -7.874 6.531 1.00 0.00 C ATOM 1120 CE2 PHE A 67 -11.340 -8.782 7.881 1.00 0.00 C ATOM 1121 CZ PHE A 67 -11.897 -7.719 7.149 1.00 0.00 C ATOM 0 H PHE A 67 -13.441 -11.556 9.994 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.802 -10.637 8.538 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -13.351 -12.264 7.719 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -14.576 -11.679 6.611 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -14.790 -9.223 6.132 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -11.615 -10.805 8.571 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -13.585 -7.054 5.978 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.374 -8.668 8.350 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.363 -6.784 7.061 1.00 0.00 H new ATOM 1131 N GLN A 68 -17.169 -12.724 9.071 1.00 0.00 N ATOM 1132 CA GLN A 68 -18.021 -13.932 9.155 1.00 0.00 C ATOM 1133 C GLN A 68 -18.883 -14.077 7.905 1.00 0.00 C ATOM 1134 O GLN A 68 -19.541 -13.124 7.478 1.00 0.00 O ATOM 1135 CB GLN A 68 -18.928 -13.830 10.392 1.00 0.00 C ATOM 1136 CG GLN A 68 -19.692 -15.124 10.710 1.00 0.00 C ATOM 1137 CD GLN A 68 -21.050 -14.823 11.323 1.00 0.00 C ATOM 1138 OE1 GLN A 68 -21.163 -14.513 12.498 1.00 0.00 O ATOM 1139 NE2 GLN A 68 -22.113 -14.923 10.548 1.00 0.00 N ATOM 0 H GLN A 68 -17.647 -11.857 9.318 1.00 0.00 H new ATOM 0 HA GLN A 68 -17.376 -14.807 9.235 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -18.320 -13.557 11.255 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.646 -13.024 10.239 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -19.823 -15.706 9.798 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -19.107 -15.735 11.397 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -22.007 -15.183 9.567 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -23.041 -14.740 10.929 1.00 0.00 H new ATOM 1148 N CYS A 69 -18.950 -15.303 7.377 1.00 0.00 N ATOM 1149 CA CYS A 69 -19.870 -15.628 6.294 1.00 0.00 C ATOM 1150 C CYS A 69 -21.333 -15.491 6.769 1.00 0.00 C ATOM 1151 O CYS A 69 -21.644 -15.730 7.942 1.00 0.00 O ATOM 1152 CB CYS A 69 -19.618 -17.058 5.800 1.00 0.00 C ATOM 1153 SG CYS A 69 -20.801 -17.467 4.480 1.00 0.00 S ATOM 0 H CYS A 69 -18.374 -16.086 7.687 1.00 0.00 H new ATOM 0 HA CYS A 69 -19.699 -14.930 5.475 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -18.597 -17.150 5.429 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -19.722 -17.762 6.626 1.00 0.00 H new ATOM 0 HG CYS A 69 -20.223 -17.336 3.323 1.00 0.00 H new ATOM 1158 N LYS A 70 -22.221 -15.108 5.845 1.00 0.00 N ATOM 1159 CA LYS A 70 -23.660 -14.984 6.140 1.00 0.00 C ATOM 1160 C LYS A 70 -24.425 -16.241 5.671 1.00 0.00 C ATOM 1161 O LYS A 70 -25.654 -16.266 5.684 1.00 0.00 O ATOM 1162 CB LYS A 70 -24.232 -13.733 5.443 1.00 0.00 C ATOM 1163 CG LYS A 70 -23.429 -12.437 5.684 1.00 0.00 C ATOM 1164 CD LYS A 70 -23.180 -12.123 7.171 1.00 0.00 C ATOM 1165 CE LYS A 70 -22.462 -10.782 7.371 1.00 0.00 C ATOM 1166 NZ LYS A 70 -21.110 -10.783 6.772 1.00 0.00 N ATOM 0 H LYS A 70 -21.971 -14.877 4.883 1.00 0.00 H new ATOM 0 HA LYS A 70 -23.784 -14.886 7.218 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -24.279 -13.921 4.370 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -25.255 -13.579 5.785 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -22.469 -12.516 5.174 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -23.963 -11.601 5.231 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -24.133 -12.105 7.701 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -22.584 -12.921 7.614 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -23.055 -9.983 6.926 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -22.386 -10.567 8.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -20.591 -9.938 7.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -20.597 -11.636 7.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -21.190 -10.775 5.735 1.00 0.00 H new ATOM 1180 N THR A 71 -23.675 -17.269 5.252 1.00 0.00 N ATOM 1181 CA THR A 71 -24.257 -18.508 4.717 1.00 0.00 C ATOM 1182 C THR A 71 -23.968 -19.686 5.653 1.00 0.00 C ATOM 1183 O THR A 71 -24.892 -20.321 6.159 1.00 0.00 O ATOM 1184 CB THR A 71 -23.677 -18.834 3.314 1.00 0.00 C ATOM 1185 OG1 THR A 71 -23.006 -17.743 2.717 1.00 0.00 O ATOM 1186 CG2 THR A 71 -24.755 -19.297 2.339 1.00 0.00 C ATOM 0 H THR A 71 -22.655 -17.266 5.274 1.00 0.00 H new ATOM 0 HA THR A 71 -25.333 -18.355 4.637 1.00 0.00 H new ATOM 0 HB THR A 71 -22.962 -19.635 3.501 1.00 0.00 H new ATOM 0 HG1 THR A 71 -22.134 -17.621 3.146 1.00 0.00 H new ATOM 0 HG21 THR A 71 -24.302 -19.513 1.372 1.00 0.00 H new ATOM 0 HG22 THR A 71 -25.233 -20.197 2.725 1.00 0.00 H new ATOM 0 HG23 THR A 71 -25.502 -18.512 2.222 1.00 0.00 H new ATOM 1194 N CYS A 72 -22.671 -19.971 5.880 1.00 0.00 N ATOM 1195 CA CYS A 72 -22.253 -21.085 6.742 1.00 0.00 C ATOM 1196 C CYS A 72 -21.870 -20.588 8.155 1.00 0.00 C ATOM 1197 O CYS A 72 -21.847 -21.376 9.100 1.00 0.00 O ATOM 1198 CB CYS A 72 -21.061 -21.802 6.111 1.00 0.00 C ATOM 1199 SG CYS A 72 -19.682 -20.644 5.997 1.00 0.00 S ATOM 0 H CYS A 72 -21.897 -19.443 5.477 1.00 0.00 H new ATOM 0 HA CYS A 72 -23.092 -21.774 6.839 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -20.779 -22.667 6.712 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -21.325 -22.174 5.121 1.00 0.00 H new ATOM 0 HG CYS A 72 -20.053 -19.592 5.329 1.00 0.00 H new ATOM 1204 N GLN A 73 -21.521 -19.275 8.259 1.00 0.00 N ATOM 1205 CA GLN A 73 -21.101 -18.621 9.545 1.00 0.00 C ATOM 1206 C GLN A 73 -19.556 -18.694 9.736 1.00 0.00 C ATOM 1207 O GLN A 73 -19.036 -18.319 10.791 1.00 0.00 O ATOM 1208 CB GLN A 73 -21.818 -19.263 10.769 1.00 0.00 C ATOM 1209 CG GLN A 73 -21.899 -18.325 11.991 1.00 0.00 C ATOM 1210 CD GLN A 73 -21.265 -18.915 13.248 1.00 0.00 C ATOM 1211 OE1 GLN A 73 -21.925 -19.217 14.229 1.00 0.00 O ATOM 1212 NE2 GLN A 73 -19.956 -19.079 13.263 1.00 0.00 N ATOM 0 H GLN A 73 -21.521 -18.638 7.462 1.00 0.00 H new ATOM 0 HA GLN A 73 -21.395 -17.573 9.483 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -22.827 -19.556 10.478 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -21.291 -20.174 11.053 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -21.405 -17.383 11.751 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -22.945 -18.094 12.194 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -19.401 -18.828 12.445 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -19.499 -19.457 14.093 1.00 0.00 H new ATOM 1221 N ARG A 74 -18.838 -19.189 8.709 1.00 0.00 N ATOM 1222 CA ARG A 74 -17.377 -19.348 8.784 1.00 0.00 C ATOM 1223 C ARG A 74 -16.704 -18.006 8.985 1.00 0.00 C ATOM 1224 O ARG A 74 -16.969 -17.054 8.253 1.00 0.00 O ATOM 1225 CB ARG A 74 -16.852 -20.006 7.491 1.00 0.00 C ATOM 1226 CG ARG A 74 -15.343 -20.306 7.441 1.00 0.00 C ATOM 1227 CD ARG A 74 -14.936 -21.438 8.388 1.00 0.00 C ATOM 1228 NE ARG A 74 -13.539 -21.865 8.165 1.00 0.00 N ATOM 1229 CZ ARG A 74 -13.038 -23.063 8.453 1.00 0.00 C ATOM 1230 NH1 ARG A 74 -13.768 -24.020 8.985 1.00 0.00 N ATOM 1231 NH2 ARG A 74 -11.774 -23.342 8.226 1.00 0.00 N ATOM 0 H ARG A 74 -19.246 -19.484 7.822 1.00 0.00 H new ATOM 0 HA ARG A 74 -17.143 -19.987 9.635 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -17.392 -20.941 7.340 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -17.099 -19.356 6.652 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -15.063 -20.572 6.422 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -14.788 -19.404 7.699 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -15.055 -21.109 9.420 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -15.603 -22.288 8.246 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.903 -21.181 7.754 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -14.753 -23.855 9.190 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.348 -24.926 9.192 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -11.160 -22.634 7.823 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.407 -24.266 8.453 1.00 0.00 H new ATOM 1245 N LYS A 75 -15.840 -17.923 10.002 1.00 0.00 N ATOM 1246 CA LYS A 75 -15.173 -16.677 10.345 1.00 0.00 C ATOM 1247 C LYS A 75 -13.749 -16.644 9.779 1.00 0.00 C ATOM 1248 O LYS A 75 -13.017 -17.630 9.848 1.00 0.00 O ATOM 1249 CB LYS A 75 -15.129 -16.512 11.872 1.00 0.00 C ATOM 1250 CG LYS A 75 -16.526 -16.253 12.446 1.00 0.00 C ATOM 1251 CD LYS A 75 -16.501 -16.003 13.960 1.00 0.00 C ATOM 1252 CE LYS A 75 -17.918 -15.780 14.506 1.00 0.00 C ATOM 1253 NZ LYS A 75 -18.493 -14.499 14.048 1.00 0.00 N ATOM 0 H LYS A 75 -15.590 -18.711 10.600 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.737 -15.854 9.906 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.709 -17.410 12.325 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.468 -15.685 12.131 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -16.967 -15.391 11.946 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.167 -17.108 12.233 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.043 -16.854 14.465 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.883 -15.132 14.178 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -18.562 -16.600 14.189 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -17.893 -15.797 15.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -18.668 -13.884 14.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.827 -14.031 13.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -19.389 -14.678 13.552 1.00 0.00 H new ATOM 1267 N PHE A 76 -13.371 -15.485 9.251 1.00 0.00 N ATOM 1268 CA PHE A 76 -12.056 -15.265 8.664 1.00 0.00 C ATOM 1269 C PHE A 76 -11.428 -13.983 9.233 1.00 0.00 C ATOM 1270 O PHE A 76 -12.129 -13.123 9.775 1.00 0.00 O ATOM 1271 CB PHE A 76 -12.191 -15.131 7.126 1.00 0.00 C ATOM 1272 CG PHE A 76 -12.843 -16.288 6.398 1.00 0.00 C ATOM 1273 CD1 PHE A 76 -12.066 -17.381 5.970 1.00 0.00 C ATOM 1274 CD2 PHE A 76 -14.225 -16.261 6.127 1.00 0.00 C ATOM 1275 CE1 PHE A 76 -12.671 -18.447 5.282 1.00 0.00 C ATOM 1276 CE2 PHE A 76 -14.836 -17.340 5.464 1.00 0.00 C ATOM 1277 CZ PHE A 76 -14.055 -18.430 5.041 1.00 0.00 C ATOM 0 H PHE A 76 -13.976 -14.664 9.219 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.416 -16.113 8.906 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -12.763 -14.228 6.912 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.195 -14.984 6.708 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.005 -17.401 6.170 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -14.817 -15.410 6.429 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -12.073 -19.278 4.939 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -15.900 -17.332 5.281 1.00 0.00 H new ATOM 0 HZ PHE A 76 -14.521 -19.258 4.528 1.00 0.00 H new ATOM 1287 N SER A 77 -10.111 -13.840 9.061 1.00 0.00 N ATOM 1288 CA SER A 77 -9.392 -12.639 9.520 1.00 0.00 C ATOM 1289 C SER A 77 -9.013 -11.728 8.334 1.00 0.00 C ATOM 1290 O SER A 77 -8.337 -10.716 8.518 1.00 0.00 O ATOM 1291 CB SER A 77 -8.117 -13.045 10.277 1.00 0.00 C ATOM 1292 OG SER A 77 -8.366 -13.940 11.338 1.00 0.00 O ATOM 0 H SER A 77 -9.519 -14.537 8.609 1.00 0.00 H new ATOM 0 HA SER A 77 -10.056 -12.086 10.185 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.417 -13.504 9.579 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.634 -12.150 10.670 1.00 0.00 H new ATOM 0 HG SER A 77 -8.865 -13.479 12.044 1.00 0.00 H new ATOM 1298 N ARG A 78 -9.435 -12.113 7.115 1.00 0.00 N ATOM 1299 CA ARG A 78 -9.054 -11.389 5.892 1.00 0.00 C ATOM 1300 C ARG A 78 -10.243 -11.255 4.937 1.00 0.00 C ATOM 1301 O ARG A 78 -10.805 -12.251 4.484 1.00 0.00 O ATOM 1302 CB ARG A 78 -7.908 -12.130 5.182 1.00 0.00 C ATOM 1303 CG ARG A 78 -6.551 -11.863 5.849 1.00 0.00 C ATOM 1304 CD ARG A 78 -5.467 -12.831 5.377 1.00 0.00 C ATOM 1305 NE ARG A 78 -5.270 -12.805 3.914 1.00 0.00 N ATOM 1306 CZ ARG A 78 -4.112 -12.956 3.281 1.00 0.00 C ATOM 1307 NH1 ARG A 78 -2.986 -13.018 3.949 1.00 0.00 N ATOM 1308 NH2 ARG A 78 -4.070 -13.032 1.970 1.00 0.00 N ATOM 0 H ARG A 78 -10.038 -12.919 6.953 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.726 -10.390 6.179 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.110 -13.201 5.187 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.867 -11.819 4.138 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.239 -10.841 5.635 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.659 -11.943 6.931 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.527 -12.583 5.869 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.731 -13.843 5.685 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.098 -12.658 3.337 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.992 -12.950 4.967 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.103 -13.134 3.451 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.932 -12.975 1.428 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.175 -13.148 1.494 1.00 0.00 H new ATOM 1322 N SER A 79 -10.582 -10.009 4.602 1.00 0.00 N ATOM 1323 CA SER A 79 -11.636 -9.716 3.612 1.00 0.00 C ATOM 1324 C SER A 79 -11.389 -10.492 2.296 1.00 0.00 C ATOM 1325 O SER A 79 -12.314 -11.040 1.713 1.00 0.00 O ATOM 1326 CB SER A 79 -11.679 -8.210 3.325 1.00 0.00 C ATOM 1327 OG SER A 79 -10.398 -7.733 2.953 1.00 0.00 O ATOM 0 H SER A 79 -10.143 -9.179 5.000 1.00 0.00 H new ATOM 0 HA SER A 79 -12.592 -10.035 4.026 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.393 -8.007 2.527 1.00 0.00 H new ATOM 0 HB3 SER A 79 -12.028 -7.676 4.209 1.00 0.00 H new ATOM 0 HG SER A 79 -10.447 -6.771 2.772 1.00 0.00 H new ATOM 1333 N ASP A 80 -10.122 -10.537 1.856 1.00 0.00 N ATOM 1334 CA ASP A 80 -9.737 -11.252 0.619 1.00 0.00 C ATOM 1335 C ASP A 80 -10.081 -12.783 0.711 1.00 0.00 C ATOM 1336 O ASP A 80 -10.523 -13.389 -0.273 1.00 0.00 O ATOM 1337 CB ASP A 80 -8.225 -11.063 0.370 1.00 0.00 C ATOM 1338 CG ASP A 80 -7.741 -11.696 -0.937 1.00 0.00 C ATOM 1339 OD1 ASP A 80 -8.417 -11.462 -1.965 1.00 0.00 O ATOM 1340 OD2 ASP A 80 -6.708 -12.408 -0.898 1.00 0.00 O ATOM 0 H ASP A 80 -9.342 -10.087 2.336 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.304 -10.834 -0.213 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.997 -9.997 0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.670 -11.496 1.202 1.00 0.00 H new ATOM 1345 N HIS A 81 -9.951 -13.360 1.921 1.00 0.00 N ATOM 1346 CA HIS A 81 -10.344 -14.772 2.153 1.00 0.00 C ATOM 1347 C HIS A 81 -11.864 -14.915 2.177 1.00 0.00 C ATOM 1348 O HIS A 81 -12.399 -15.885 1.665 1.00 0.00 O ATOM 1349 CB HIS A 81 -9.768 -15.286 3.483 1.00 0.00 C ATOM 1350 CG HIS A 81 -8.302 -15.574 3.534 1.00 0.00 C ATOM 1351 ND1 HIS A 81 -7.416 -15.566 2.493 1.00 0.00 N ATOM 1352 CD2 HIS A 81 -7.613 -15.885 4.669 1.00 0.00 C ATOM 1353 CE1 HIS A 81 -6.212 -15.849 3.010 1.00 0.00 C ATOM 1354 NE2 HIS A 81 -6.275 -15.987 4.340 1.00 0.00 N ATOM 0 H HIS A 81 -9.583 -12.883 2.744 1.00 0.00 H new ATOM 0 HA HIS A 81 -9.941 -15.365 1.332 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.993 -14.549 4.254 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -10.300 -16.199 3.749 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.038 -16.027 5.652 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.308 -15.952 2.428 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -5.495 -16.137 4.980 1.00 0.00 H new ATOM 1362 N LEU A 82 -12.558 -13.945 2.790 1.00 0.00 N ATOM 1363 CA LEU A 82 -14.022 -13.982 2.876 1.00 0.00 C ATOM 1364 C LEU A 82 -14.660 -13.792 1.486 1.00 0.00 C ATOM 1365 O LEU A 82 -15.592 -14.502 1.129 1.00 0.00 O ATOM 1366 CB LEU A 82 -14.526 -12.898 3.837 1.00 0.00 C ATOM 1367 CG LEU A 82 -16.062 -13.015 4.004 1.00 0.00 C ATOM 1368 CD1 LEU A 82 -16.473 -12.840 5.459 1.00 0.00 C ATOM 1369 CD2 LEU A 82 -16.837 -11.999 3.157 1.00 0.00 C ATOM 0 H LEU A 82 -12.131 -13.130 3.231 1.00 0.00 H new ATOM 0 HA LEU A 82 -14.314 -14.960 3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -14.037 -13.002 4.806 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -14.267 -11.911 3.454 1.00 0.00 H new ATOM 0 HG LEU A 82 -16.315 -14.017 3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -17.556 -12.927 5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -15.998 -13.610 6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -16.160 -11.857 5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -17.907 -12.132 3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -16.549 -10.989 3.447 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -16.607 -12.153 2.103 1.00 0.00 H new ATOM 1381 N LYS A 83 -14.125 -12.849 0.696 1.00 0.00 N ATOM 1382 CA LYS A 83 -14.568 -12.651 -0.699 1.00 0.00 C ATOM 1383 C LYS A 83 -14.266 -13.896 -1.537 1.00 0.00 C ATOM 1384 O LYS A 83 -15.084 -14.320 -2.344 1.00 0.00 O ATOM 1385 CB LYS A 83 -13.853 -11.427 -1.307 1.00 0.00 C ATOM 1386 CG LYS A 83 -14.272 -11.150 -2.765 1.00 0.00 C ATOM 1387 CD LYS A 83 -13.430 -10.055 -3.437 1.00 0.00 C ATOM 1388 CE LYS A 83 -13.726 -8.649 -2.912 1.00 0.00 C ATOM 1389 NZ LYS A 83 -15.076 -8.186 -3.297 1.00 0.00 N ATOM 0 H LYS A 83 -13.387 -12.212 0.995 1.00 0.00 H new ATOM 0 HA LYS A 83 -15.644 -12.479 -0.702 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -14.068 -10.548 -0.699 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.775 -11.586 -1.268 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.187 -12.071 -3.342 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -15.322 -10.857 -2.786 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.373 -10.276 -3.285 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.609 -10.078 -4.512 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.636 -8.642 -1.826 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.981 -7.954 -3.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.180 -7.180 -3.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.207 -8.312 -4.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.792 -8.740 -2.785 1.00 0.00 H new ATOM 1403 N THR A 84 -13.102 -14.502 -1.302 1.00 0.00 N ATOM 1404 CA THR A 84 -12.738 -15.755 -1.967 1.00 0.00 C ATOM 1405 C THR A 84 -13.715 -16.878 -1.576 1.00 0.00 C ATOM 1406 O THR A 84 -14.366 -17.473 -2.438 1.00 0.00 O ATOM 1407 CB THR A 84 -11.312 -16.166 -1.571 1.00 0.00 C ATOM 1408 OG1 THR A 84 -10.434 -15.204 -2.110 1.00 0.00 O ATOM 1409 CG2 THR A 84 -10.793 -17.537 -1.970 1.00 0.00 C ATOM 0 H THR A 84 -12.396 -14.147 -0.657 1.00 0.00 H new ATOM 0 HA THR A 84 -12.788 -15.597 -3.044 1.00 0.00 H new ATOM 0 HB THR A 84 -11.355 -16.223 -0.483 1.00 0.00 H new ATOM 0 HG1 THR A 84 -10.617 -14.331 -1.705 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.772 -17.658 -1.609 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.427 -18.308 -1.531 1.00 0.00 H new ATOM 0 HG23 THR A 84 -10.808 -17.630 -3.056 1.00 0.00 H new ATOM 1417 N HIS A 85 -13.944 -17.025 -0.267 1.00 0.00 N ATOM 1418 CA HIS A 85 -14.880 -18.015 0.261 1.00 0.00 C ATOM 1419 C HIS A 85 -16.316 -17.736 -0.227 1.00 0.00 C ATOM 1420 O HIS A 85 -17.069 -18.658 -0.517 1.00 0.00 O ATOM 1421 CB HIS A 85 -14.836 -17.990 1.789 1.00 0.00 C ATOM 1422 CG HIS A 85 -16.003 -18.687 2.414 1.00 0.00 C ATOM 1423 ND1 HIS A 85 -16.293 -20.029 2.336 1.00 0.00 N ATOM 1424 CD2 HIS A 85 -17.044 -18.056 3.030 1.00 0.00 C ATOM 1425 CE1 HIS A 85 -17.507 -20.206 2.876 1.00 0.00 C ATOM 1426 NE2 HIS A 85 -17.981 -19.037 3.323 1.00 0.00 N ATOM 0 H HIS A 85 -13.487 -16.463 0.451 1.00 0.00 H new ATOM 0 HA HIS A 85 -14.585 -19.000 -0.101 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -13.913 -18.460 2.129 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.811 -16.955 2.130 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -17.123 -17.001 3.247 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -18.025 -21.151 2.941 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -18.873 -18.893 3.796 1.00 0.00 H new ATOM 1434 N THR A 86 -16.656 -16.460 -0.367 1.00 0.00 N ATOM 1435 CA THR A 86 -17.967 -16.049 -0.876 1.00 0.00 C ATOM 1436 C THR A 86 -18.254 -16.711 -2.237 1.00 0.00 C ATOM 1437 O THR A 86 -19.362 -17.206 -2.473 1.00 0.00 O ATOM 1438 CB THR A 86 -18.034 -14.517 -1.029 1.00 0.00 C ATOM 1439 OG1 THR A 86 -17.924 -13.924 0.244 1.00 0.00 O ATOM 1440 CG2 THR A 86 -19.279 -13.908 -1.647 1.00 0.00 C ATOM 0 H THR A 86 -16.038 -15.683 -0.134 1.00 0.00 H new ATOM 0 HA THR A 86 -18.720 -16.370 -0.156 1.00 0.00 H new ATOM 0 HB THR A 86 -17.219 -14.317 -1.724 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.980 -13.884 0.506 1.00 0.00 H new ATOM 0 HG21 THR A 86 -19.173 -12.824 -1.685 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.411 -14.296 -2.657 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.149 -14.167 -1.043 1.00 0.00 H new ATOM 1448 N ARG A 87 -17.228 -16.772 -3.110 1.00 0.00 N ATOM 1449 CA ARG A 87 -17.376 -17.386 -4.449 1.00 0.00 C ATOM 1450 C ARG A 87 -17.665 -18.906 -4.345 1.00 0.00 C ATOM 1451 O ARG A 87 -18.267 -19.486 -5.242 1.00 0.00 O ATOM 1452 CB ARG A 87 -16.106 -17.149 -5.280 1.00 0.00 C ATOM 1453 CG ARG A 87 -15.879 -15.641 -5.521 1.00 0.00 C ATOM 1454 CD ARG A 87 -14.882 -15.313 -6.642 1.00 0.00 C ATOM 1455 NE ARG A 87 -13.503 -15.695 -6.303 1.00 0.00 N ATOM 1456 CZ ARG A 87 -12.633 -15.054 -5.535 1.00 0.00 C ATOM 1457 NH1 ARG A 87 -12.907 -13.916 -4.938 1.00 0.00 N ATOM 1458 NH2 ARG A 87 -11.452 -15.588 -5.337 1.00 0.00 N ATOM 0 H ARG A 87 -16.295 -16.408 -2.916 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.225 -16.914 -4.943 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -15.244 -17.573 -4.764 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -16.190 -17.666 -6.236 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -16.836 -15.177 -5.758 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -15.525 -15.188 -4.595 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -15.184 -15.828 -7.554 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -14.917 -14.244 -6.853 1.00 0.00 H new ATOM 0 HE ARG A 87 -13.172 -16.568 -6.713 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -13.825 -13.486 -5.056 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -12.202 -13.462 -4.357 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.217 -16.481 -5.771 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.768 -15.111 -4.749 1.00 0.00 H new ATOM 1472 N THR A 88 -17.281 -19.516 -3.209 1.00 0.00 N ATOM 1473 CA THR A 88 -17.589 -20.950 -2.945 1.00 0.00 C ATOM 1474 C THR A 88 -19.105 -21.159 -2.738 1.00 0.00 C ATOM 1475 O THR A 88 -19.645 -22.200 -3.106 1.00 0.00 O ATOM 1476 CB THR A 88 -16.844 -21.482 -1.695 1.00 0.00 C ATOM 1477 OG1 THR A 88 -17.419 -21.092 -0.477 1.00 0.00 O ATOM 1478 CG2 THR A 88 -15.352 -21.161 -1.644 1.00 0.00 C ATOM 0 H THR A 88 -16.763 -19.053 -2.462 1.00 0.00 H new ATOM 0 HA THR A 88 -17.252 -21.504 -3.821 1.00 0.00 H new ATOM 0 HB THR A 88 -16.956 -22.559 -1.818 1.00 0.00 H new ATOM 0 HG1 THR A 88 -17.588 -20.127 -0.489 1.00 0.00 H new ATOM 0 HG21 THR A 88 -14.922 -21.575 -0.732 1.00 0.00 H new ATOM 0 HG22 THR A 88 -14.856 -21.598 -2.511 1.00 0.00 H new ATOM 0 HG23 THR A 88 -15.212 -20.080 -1.653 1.00 0.00 H new ATOM 1486 N HIS A 89 -19.793 -20.130 -2.208 1.00 0.00 N ATOM 1487 CA HIS A 89 -21.259 -20.173 -2.044 1.00 0.00 C ATOM 1488 C HIS A 89 -21.962 -19.539 -3.257 1.00 0.00 C ATOM 1489 O HIS A 89 -23.141 -19.784 -3.500 1.00 0.00 O ATOM 1490 CB HIS A 89 -21.666 -19.421 -0.765 1.00 0.00 C ATOM 1491 CG HIS A 89 -21.383 -20.161 0.519 1.00 0.00 C ATOM 1492 ND1 HIS A 89 -21.788 -21.444 0.823 1.00 0.00 N ATOM 1493 CD2 HIS A 89 -20.781 -19.642 1.633 1.00 0.00 C ATOM 1494 CE1 HIS A 89 -21.422 -21.692 2.093 1.00 0.00 C ATOM 1495 NE2 HIS A 89 -20.813 -20.625 2.624 1.00 0.00 N ATOM 0 H HIS A 89 -19.361 -19.263 -1.888 1.00 0.00 H new ATOM 0 HA HIS A 89 -21.564 -21.217 -1.968 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -21.143 -18.465 -0.740 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -22.732 -19.200 -0.814 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -20.358 -18.653 1.728 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -21.595 -22.623 2.612 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -20.443 -20.545 3.571 1.00 0.00 H new ATOM 1503 N THR A 90 -21.222 -18.710 -4.001 1.00 0.00 N ATOM 1504 CA THR A 90 -21.779 -17.944 -5.126 1.00 0.00 C ATOM 1505 C THR A 90 -21.507 -18.653 -6.475 1.00 0.00 C ATOM 1506 O THR A 90 -21.842 -18.128 -7.532 1.00 0.00 O ATOM 1507 CB THR A 90 -21.145 -16.532 -5.173 1.00 0.00 C ATOM 1508 OG1 THR A 90 -21.155 -15.963 -3.881 1.00 0.00 O ATOM 1509 CG2 THR A 90 -21.828 -15.490 -6.052 1.00 0.00 C ATOM 0 H THR A 90 -20.227 -18.550 -3.844 1.00 0.00 H new ATOM 0 HA THR A 90 -22.856 -17.869 -4.973 1.00 0.00 H new ATOM 0 HB THR A 90 -20.159 -16.731 -5.594 1.00 0.00 H new ATOM 0 HG1 THR A 90 -20.339 -16.220 -3.404 1.00 0.00 H new ATOM 0 HG21 THR A 90 -21.281 -14.549 -5.992 1.00 0.00 H new ATOM 0 HG22 THR A 90 -21.841 -15.837 -7.085 1.00 0.00 H new ATOM 0 HG23 THR A 90 -22.851 -15.338 -5.708 1.00 0.00 H new ATOM 1517 N GLY A 91 -20.918 -19.867 -6.415 1.00 0.00 N ATOM 1518 CA GLY A 91 -20.550 -20.610 -7.645 1.00 0.00 C ATOM 1519 C GLY A 91 -19.774 -19.736 -8.658 1.00 0.00 C ATOM 1520 O GLY A 91 -19.847 -19.962 -9.865 1.00 0.00 O ATOM 0 H GLY A 91 -20.689 -20.349 -5.545 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -19.942 -21.474 -7.375 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -21.454 -20.992 -8.118 1.00 0.00 H new ATOM 1524 N GLU A 92 -19.078 -18.711 -8.153 1.00 0.00 N ATOM 1525 CA GLU A 92 -18.483 -17.684 -9.006 1.00 0.00 C ATOM 1526 C GLU A 92 -17.068 -18.093 -9.453 1.00 0.00 C ATOM 1527 O GLU A 92 -16.088 -17.855 -8.746 1.00 0.00 O ATOM 1528 CB GLU A 92 -18.440 -16.339 -8.249 1.00 0.00 C ATOM 1529 CG GLU A 92 -18.509 -15.097 -9.145 1.00 0.00 C ATOM 1530 CD GLU A 92 -17.261 -14.921 -10.008 1.00 0.00 C ATOM 1531 OE1 GLU A 92 -16.297 -14.303 -9.505 1.00 0.00 O ATOM 1532 OE2 GLU A 92 -17.292 -15.424 -11.153 1.00 0.00 O ATOM 0 H GLU A 92 -18.915 -18.573 -7.156 1.00 0.00 H new ATOM 0 HA GLU A 92 -19.098 -17.573 -9.899 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -19.270 -16.308 -7.544 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -17.522 -16.297 -7.663 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -19.385 -15.168 -9.790 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -18.643 -14.212 -8.523 1.00 0.00 H new ATOM 1539 N LYS A 93 -16.986 -18.749 -10.620 1.00 0.00 N ATOM 1540 CA LYS A 93 -15.703 -19.222 -11.165 1.00 0.00 C ATOM 1541 C LYS A 93 -15.347 -18.461 -12.471 1.00 0.00 C ATOM 1542 O LYS A 93 -15.702 -18.898 -13.567 1.00 0.00 O ATOM 1543 CB LYS A 93 -15.786 -20.737 -11.445 1.00 0.00 C ATOM 1544 CG LYS A 93 -15.974 -21.585 -10.177 1.00 0.00 C ATOM 1545 CD LYS A 93 -16.242 -23.058 -10.520 1.00 0.00 C ATOM 1546 CE LYS A 93 -16.403 -23.925 -9.264 1.00 0.00 C ATOM 1547 NZ LYS A 93 -15.139 -24.053 -8.509 1.00 0.00 N ATOM 0 H LYS A 93 -17.793 -18.965 -11.205 1.00 0.00 H new ATOM 0 HA LYS A 93 -14.920 -19.030 -10.431 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -16.615 -20.928 -12.126 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.876 -21.055 -11.954 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -15.083 -21.512 -9.554 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -16.805 -21.189 -9.593 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -17.144 -23.130 -11.127 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -15.420 -23.444 -11.123 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -17.167 -23.490 -8.620 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -16.755 -24.916 -9.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -15.268 -24.727 -7.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -14.389 -24.397 -9.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -14.869 -23.125 -8.125 1.00 0.00 H new ATOM 1561 N PRO A 94 -14.668 -17.291 -12.356 1.00 0.00 N ATOM 1562 CA PRO A 94 -14.351 -16.450 -13.503 1.00 0.00 C ATOM 1563 C PRO A 94 -13.025 -16.843 -14.191 1.00 0.00 C ATOM 1564 O PRO A 94 -12.803 -16.504 -15.353 1.00 0.00 O ATOM 1565 CB PRO A 94 -14.244 -15.048 -12.894 1.00 0.00 C ATOM 1566 CG PRO A 94 -13.655 -15.315 -11.505 1.00 0.00 C ATOM 1567 CD PRO A 94 -14.256 -16.666 -11.106 1.00 0.00 C ATOM 0 HA PRO A 94 -15.104 -16.538 -14.286 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.599 -14.399 -13.487 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -15.217 -14.560 -12.832 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.566 -15.354 -11.533 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.927 -14.532 -10.798 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.525 -17.281 -10.581 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -15.104 -16.536 -10.434 1.00 0.00 H new ATOM 1575 N PHE A 95 -12.136 -17.533 -13.454 1.00 0.00 N ATOM 1576 CA PHE A 95 -10.800 -17.870 -13.972 1.00 0.00 C ATOM 1577 C PHE A 95 -10.868 -19.093 -14.914 1.00 0.00 C ATOM 1578 O PHE A 95 -10.573 -20.214 -14.512 1.00 0.00 O ATOM 1579 CB PHE A 95 -9.838 -18.156 -12.806 1.00 0.00 C ATOM 1580 CG PHE A 95 -9.634 -17.006 -11.842 1.00 0.00 C ATOM 1581 CD1 PHE A 95 -8.753 -15.955 -12.162 1.00 0.00 C ATOM 1582 CD2 PHE A 95 -10.318 -16.994 -10.615 1.00 0.00 C ATOM 1583 CE1 PHE A 95 -8.560 -14.896 -11.255 1.00 0.00 C ATOM 1584 CE2 PHE A 95 -10.136 -15.930 -9.713 1.00 0.00 C ATOM 1585 CZ PHE A 95 -9.256 -14.881 -10.033 1.00 0.00 C ATOM 0 H PHE A 95 -12.317 -17.865 -12.507 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.429 -17.018 -14.541 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -10.213 -19.014 -12.249 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.869 -18.441 -13.217 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.225 -15.962 -13.104 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.986 -17.805 -10.363 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.877 -14.095 -11.498 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -10.672 -15.919 -8.775 1.00 0.00 H new ATOM 0 HZ PHE A 95 -9.115 -14.064 -9.341 1.00 0.00 H new ATOM 1595 N SER A 96 -11.288 -18.857 -16.162 1.00 0.00 N ATOM 1596 CA SER A 96 -11.422 -19.932 -17.164 1.00 0.00 C ATOM 1597 C SER A 96 -10.068 -20.256 -17.810 1.00 0.00 C ATOM 1598 O SER A 96 -9.270 -19.356 -18.086 1.00 0.00 O ATOM 1599 CB SER A 96 -12.412 -19.504 -18.251 1.00 0.00 C ATOM 1600 OG SER A 96 -12.895 -20.649 -18.917 1.00 0.00 O ATOM 0 H SER A 96 -11.542 -17.931 -16.507 1.00 0.00 H new ATOM 0 HA SER A 96 -11.788 -20.825 -16.658 1.00 0.00 H new ATOM 0 HB2 SER A 96 -13.240 -18.950 -17.808 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.925 -18.835 -18.960 1.00 0.00 H new ATOM 0 HG SER A 96 -13.434 -20.376 -19.689 1.00 0.00 H new ATOM 1606 N CYS A 97 -9.838 -21.549 -18.090 1.00 0.00 N ATOM 1607 CA CYS A 97 -8.608 -21.996 -18.756 1.00 0.00 C ATOM 1608 C CYS A 97 -8.584 -21.558 -20.226 1.00 0.00 C ATOM 1609 O CYS A 97 -9.614 -21.191 -20.804 1.00 0.00 O ATOM 1610 CB CYS A 97 -8.481 -23.525 -18.669 1.00 0.00 C ATOM 1611 SG CYS A 97 -6.828 -24.112 -19.117 1.00 0.00 S ATOM 0 H CYS A 97 -10.489 -22.302 -17.865 1.00 0.00 H new ATOM 0 HA CYS A 97 -7.764 -21.534 -18.244 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -8.715 -23.848 -17.655 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -9.217 -23.985 -19.328 1.00 0.00 H new ATOM 0 HG CYS A 97 -6.031 -23.984 -18.098 1.00 0.00 H new ATOM 1616 N ARG A 98 -7.383 -21.561 -20.807 1.00 0.00 N ATOM 1617 CA ARG A 98 -7.169 -21.106 -22.184 1.00 0.00 C ATOM 1618 C ARG A 98 -6.327 -22.125 -22.970 1.00 0.00 C ATOM 1619 O ARG A 98 -5.836 -21.827 -24.058 1.00 0.00 O ATOM 1620 CB ARG A 98 -6.465 -19.733 -22.169 1.00 0.00 C ATOM 1621 CG ARG A 98 -7.384 -18.608 -21.650 1.00 0.00 C ATOM 1622 CD ARG A 98 -8.486 -18.271 -22.666 1.00 0.00 C ATOM 1623 NE ARG A 98 -9.520 -17.381 -22.115 1.00 0.00 N ATOM 1624 CZ ARG A 98 -10.751 -17.743 -21.758 1.00 0.00 C ATOM 1625 NH1 ARG A 98 -11.119 -18.995 -21.604 1.00 0.00 N ATOM 1626 NH2 ARG A 98 -11.670 -16.826 -21.559 1.00 0.00 N ATOM 0 H ARG A 98 -6.534 -21.877 -20.339 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.136 -21.012 -22.678 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -5.575 -19.790 -21.542 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.129 -19.489 -23.177 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.837 -18.913 -20.707 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.791 -17.717 -21.445 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.036 -17.800 -23.540 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.953 -19.195 -23.007 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.272 -16.399 -21.996 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.447 -19.747 -21.760 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.076 -19.215 -21.329 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.440 -15.839 -21.678 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.614 -17.100 -21.286 1.00 0.00 H new ATOM 1640 N TRP A 99 -6.194 -23.335 -22.417 1.00 0.00 N ATOM 1641 CA TRP A 99 -5.494 -24.424 -23.091 1.00 0.00 C ATOM 1642 C TRP A 99 -6.295 -24.907 -24.328 1.00 0.00 C ATOM 1643 O TRP A 99 -7.475 -24.581 -24.478 1.00 0.00 O ATOM 1644 CB TRP A 99 -5.291 -25.585 -22.108 1.00 0.00 C ATOM 1645 CG TRP A 99 -4.037 -25.433 -21.300 1.00 0.00 C ATOM 1646 CD1 TRP A 99 -3.810 -24.432 -20.424 1.00 0.00 C ATOM 1647 CD2 TRP A 99 -2.817 -26.237 -21.309 1.00 0.00 C ATOM 1648 NE1 TRP A 99 -2.559 -24.571 -19.864 1.00 0.00 N ATOM 1649 CE2 TRP A 99 -1.899 -25.667 -20.377 1.00 0.00 C ATOM 1650 CE3 TRP A 99 -2.387 -27.391 -22.004 1.00 0.00 C ATOM 1651 CZ2 TRP A 99 -0.621 -26.202 -20.151 1.00 0.00 C ATOM 1652 CZ3 TRP A 99 -1.105 -27.935 -21.789 1.00 0.00 C ATOM 1653 CH2 TRP A 99 -0.222 -27.343 -20.869 1.00 0.00 C ATOM 0 H TRP A 99 -6.565 -23.582 -21.500 1.00 0.00 H new ATOM 0 HA TRP A 99 -4.524 -24.063 -23.433 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -6.148 -25.644 -21.437 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -5.253 -26.524 -22.661 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -4.506 -23.639 -20.196 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -2.171 -23.943 -19.160 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -3.052 -27.863 -22.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 0.046 -25.744 -19.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -0.798 -28.814 -22.336 1.00 0.00 H new ATOM 0 HH2 TRP A 99 0.761 -27.764 -20.714 1.00 0.00 H new ATOM 1664 N PRO A 100 -5.639 -25.664 -25.242 1.00 0.00 N ATOM 1665 CA PRO A 100 -6.256 -26.123 -26.488 1.00 0.00 C ATOM 1666 C PRO A 100 -7.647 -26.756 -26.273 1.00 0.00 C ATOM 1667 O PRO A 100 -7.760 -27.874 -25.774 1.00 0.00 O ATOM 1668 CB PRO A 100 -5.255 -27.157 -27.029 1.00 0.00 C ATOM 1669 CG PRO A 100 -3.910 -26.606 -26.554 1.00 0.00 C ATOM 1670 CD PRO A 100 -4.237 -26.056 -25.165 1.00 0.00 C ATOM 0 HA PRO A 100 -6.440 -25.296 -27.174 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -5.447 -28.153 -26.631 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -5.300 -27.234 -28.115 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.147 -27.384 -26.511 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.535 -25.828 -27.219 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -4.078 -26.809 -24.393 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -3.601 -25.206 -24.916 1.00 0.00 H new ATOM 1678 N SER A 101 -8.698 -26.019 -26.682 1.00 0.00 N ATOM 1679 CA SER A 101 -10.098 -26.507 -26.622 1.00 0.00 C ATOM 1680 C SER A 101 -10.584 -26.716 -25.160 1.00 0.00 C ATOM 1681 O SER A 101 -11.620 -27.351 -24.938 1.00 0.00 O ATOM 1682 CB SER A 101 -10.236 -27.826 -27.408 1.00 0.00 C ATOM 1683 OG SER A 101 -11.603 -28.171 -27.473 1.00 0.00 O ATOM 0 H SER A 101 -8.607 -25.076 -27.061 1.00 0.00 H new ATOM 0 HA SER A 101 -10.726 -25.740 -27.075 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.826 -27.713 -28.412 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.669 -28.618 -26.920 1.00 0.00 H new ATOM 0 HG SER A 101 -12.016 -28.037 -26.595 1.00 0.00 H new ATOM 1689 N CYS A 102 -9.870 -26.128 -24.184 1.00 0.00 N ATOM 1690 CA CYS A 102 -10.301 -26.168 -22.782 1.00 0.00 C ATOM 1691 C CYS A 102 -11.228 -24.981 -22.457 1.00 0.00 C ATOM 1692 O CYS A 102 -11.277 -23.985 -23.193 1.00 0.00 O ATOM 1693 CB CYS A 102 -9.077 -26.139 -21.848 1.00 0.00 C ATOM 1694 SG CYS A 102 -9.617 -26.461 -20.127 1.00 0.00 S ATOM 0 H CYS A 102 -8.998 -25.623 -24.342 1.00 0.00 H new ATOM 0 HA CYS A 102 -10.854 -27.094 -22.625 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -8.350 -26.889 -22.159 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -8.581 -25.170 -21.910 1.00 0.00 H new ATOM 0 HG CYS A 102 -10.546 -27.370 -20.127 1.00 0.00 H new ATOM 1699 N GLN A 103 -11.927 -25.086 -21.328 1.00 0.00 N ATOM 1700 CA GLN A 103 -12.743 -23.994 -20.807 1.00 0.00 C ATOM 1701 C GLN A 103 -13.131 -24.265 -19.338 1.00 0.00 C ATOM 1702 O GLN A 103 -14.184 -23.821 -18.868 1.00 0.00 O ATOM 1703 CB GLN A 103 -14.016 -23.827 -21.677 1.00 0.00 C ATOM 1704 CG GLN A 103 -14.591 -22.400 -21.684 1.00 0.00 C ATOM 1705 CD GLN A 103 -13.571 -21.282 -21.929 1.00 0.00 C ATOM 1706 OE1 GLN A 103 -13.644 -20.221 -21.310 1.00 0.00 O ATOM 1707 NE2 GLN A 103 -12.541 -21.480 -22.734 1.00 0.00 N ATOM 0 H GLN A 103 -11.943 -25.927 -20.752 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.163 -23.072 -20.845 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -13.783 -24.118 -22.701 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -14.782 -24.514 -21.316 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -15.362 -22.341 -22.453 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -15.081 -22.219 -20.727 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -12.462 -22.353 -23.256 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -11.825 -20.760 -22.833 1.00 0.00 H new ATOM 1716 N LYS A 104 -12.264 -25.000 -18.618 1.00 0.00 N ATOM 1717 CA LYS A 104 -12.494 -25.311 -17.206 1.00 0.00 C ATOM 1718 C LYS A 104 -12.313 -24.058 -16.356 1.00 0.00 C ATOM 1719 O LYS A 104 -11.327 -23.338 -16.504 1.00 0.00 O ATOM 1720 CB LYS A 104 -11.519 -26.404 -16.741 1.00 0.00 C ATOM 1721 CG LYS A 104 -11.818 -27.736 -17.454 1.00 0.00 C ATOM 1722 CD LYS A 104 -10.975 -28.889 -16.890 1.00 0.00 C ATOM 1723 CE LYS A 104 -10.449 -29.839 -17.976 1.00 0.00 C ATOM 1724 NZ LYS A 104 -9.409 -29.211 -18.818 1.00 0.00 N ATOM 0 H LYS A 104 -11.399 -25.387 -18.996 1.00 0.00 H new ATOM 0 HA LYS A 104 -13.515 -25.673 -17.089 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.494 -26.097 -16.948 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.600 -26.536 -15.662 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -12.876 -27.975 -17.349 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -11.620 -27.629 -18.521 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.131 -28.477 -16.336 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.576 -29.457 -16.179 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -10.041 -30.734 -17.506 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.278 -30.160 -18.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -9.497 -29.557 -19.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -9.529 -28.178 -18.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -8.468 -29.455 -18.448 1.00 0.00 H new ATOM 1738 N LYS A 105 -13.313 -23.762 -15.522 1.00 0.00 N ATOM 1739 CA LYS A 105 -13.357 -22.501 -14.781 1.00 0.00 C ATOM 1740 C LYS A 105 -13.014 -22.712 -13.310 1.00 0.00 C ATOM 1741 O LYS A 105 -13.441 -23.689 -12.695 1.00 0.00 O ATOM 1742 CB LYS A 105 -14.756 -21.881 -14.901 1.00 0.00 C ATOM 1743 CG LYS A 105 -14.918 -21.162 -16.243 1.00 0.00 C ATOM 1744 CD LYS A 105 -16.359 -20.695 -16.479 1.00 0.00 C ATOM 1745 CE LYS A 105 -16.445 -19.762 -17.692 1.00 0.00 C ATOM 1746 NZ LYS A 105 -16.015 -20.435 -18.934 1.00 0.00 N ATOM 0 H LYS A 105 -14.104 -24.381 -15.343 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.615 -21.827 -15.210 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -15.513 -22.659 -14.807 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.918 -21.178 -14.084 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.249 -20.302 -16.276 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.618 -21.830 -17.050 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -17.004 -21.560 -16.635 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -16.727 -20.179 -15.592 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -17.470 -19.408 -17.806 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -15.822 -18.884 -17.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.088 -19.771 -19.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.029 -20.750 -18.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -16.625 -21.258 -19.112 1.00 0.00 H new ATOM 1760 N PHE A 106 -12.285 -21.748 -12.740 1.00 0.00 N ATOM 1761 CA PHE A 106 -11.910 -21.777 -11.323 1.00 0.00 C ATOM 1762 C PHE A 106 -12.309 -20.478 -10.635 1.00 0.00 C ATOM 1763 O PHE A 106 -12.523 -19.459 -11.289 1.00 0.00 O ATOM 1764 CB PHE A 106 -10.395 -21.988 -11.192 1.00 0.00 C ATOM 1765 CG PHE A 106 -9.968 -23.278 -11.851 1.00 0.00 C ATOM 1766 CD1 PHE A 106 -10.144 -24.503 -11.183 1.00 0.00 C ATOM 1767 CD2 PHE A 106 -9.571 -23.260 -13.200 1.00 0.00 C ATOM 1768 CE1 PHE A 106 -9.968 -25.710 -11.880 1.00 0.00 C ATOM 1769 CE2 PHE A 106 -9.427 -24.462 -13.907 1.00 0.00 C ATOM 1770 CZ PHE A 106 -9.645 -25.686 -13.249 1.00 0.00 C ATOM 0 H PHE A 106 -11.940 -20.931 -13.244 1.00 0.00 H new ATOM 0 HA PHE A 106 -12.436 -22.601 -10.841 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.867 -21.151 -11.648 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.117 -22.004 -10.138 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.414 -24.516 -10.137 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.377 -22.319 -13.692 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -10.080 -26.653 -11.366 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -9.150 -24.448 -14.951 1.00 0.00 H new ATOM 0 HZ PHE A 106 -9.564 -26.613 -13.798 1.00 0.00 H new ATOM 1780 N ALA A 107 -12.422 -20.526 -9.306 1.00 0.00 N ATOM 1781 CA ALA A 107 -12.820 -19.357 -8.522 1.00 0.00 C ATOM 1782 C ALA A 107 -11.600 -18.683 -7.874 1.00 0.00 C ATOM 1783 O ALA A 107 -11.744 -17.718 -7.125 1.00 0.00 O ATOM 1784 CB ALA A 107 -13.822 -19.779 -7.438 1.00 0.00 C ATOM 0 H ALA A 107 -12.243 -21.363 -8.751 1.00 0.00 H new ATOM 0 HA ALA A 107 -13.288 -18.637 -9.193 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.117 -18.906 -6.855 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.703 -20.216 -7.907 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.358 -20.514 -6.780 1.00 0.00 H new ATOM 1790 N ARG A 108 -10.398 -19.189 -8.178 1.00 0.00 N ATOM 1791 CA ARG A 108 -9.164 -18.620 -7.646 1.00 0.00 C ATOM 1792 C ARG A 108 -8.082 -18.575 -8.735 1.00 0.00 C ATOM 1793 O ARG A 108 -7.924 -19.523 -9.515 1.00 0.00 O ATOM 1794 CB ARG A 108 -8.674 -19.453 -6.439 1.00 0.00 C ATOM 1795 CG ARG A 108 -9.797 -19.909 -5.475 1.00 0.00 C ATOM 1796 CD ARG A 108 -9.321 -20.858 -4.371 1.00 0.00 C ATOM 1797 NE ARG A 108 -8.811 -20.141 -3.207 1.00 0.00 N ATOM 1798 CZ ARG A 108 -7.699 -20.373 -2.523 1.00 0.00 C ATOM 1799 NH1 ARG A 108 -6.805 -21.276 -2.846 1.00 0.00 N ATOM 1800 NH2 ARG A 108 -7.517 -19.622 -1.469 1.00 0.00 N ATOM 0 H ARG A 108 -10.259 -19.992 -8.791 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.363 -17.601 -7.314 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -8.151 -20.334 -6.810 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.948 -18.864 -5.878 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -10.247 -19.029 -5.015 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.579 -20.402 -6.052 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -10.147 -21.501 -4.066 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -8.540 -21.508 -4.765 1.00 0.00 H new ATOM 0 HE ARG A 108 -9.382 -19.363 -2.878 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -6.943 -21.857 -3.673 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -5.972 -21.398 -2.270 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -8.209 -18.914 -1.222 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -6.683 -19.744 -0.894 1.00 0.00 H new ATOM 1814 N SER A 109 -7.372 -17.454 -8.807 1.00 0.00 N ATOM 1815 CA SER A 109 -6.354 -17.246 -9.834 1.00 0.00 C ATOM 1816 C SER A 109 -5.279 -18.339 -9.765 1.00 0.00 C ATOM 1817 O SER A 109 -4.900 -18.909 -10.785 1.00 0.00 O ATOM 1818 CB SER A 109 -5.707 -15.856 -9.661 1.00 0.00 C ATOM 1819 OG SER A 109 -5.549 -15.500 -8.300 1.00 0.00 O ATOM 0 H SER A 109 -7.483 -16.671 -8.163 1.00 0.00 H new ATOM 0 HA SER A 109 -6.835 -17.299 -10.811 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.734 -15.848 -10.151 1.00 0.00 H new ATOM 0 HB3 SER A 109 -6.322 -15.107 -10.161 1.00 0.00 H new ATOM 0 HG SER A 109 -5.134 -14.614 -8.240 1.00 0.00 H new ATOM 1825 N ASP A 110 -4.847 -18.679 -8.545 1.00 0.00 N ATOM 1826 CA ASP A 110 -3.870 -19.747 -8.334 1.00 0.00 C ATOM 1827 C ASP A 110 -4.454 -21.139 -8.699 1.00 0.00 C ATOM 1828 O ASP A 110 -3.725 -22.011 -9.145 1.00 0.00 O ATOM 1829 CB ASP A 110 -3.392 -19.744 -6.883 1.00 0.00 C ATOM 1830 CG ASP A 110 -4.454 -20.030 -5.818 1.00 0.00 C ATOM 1831 OD1 ASP A 110 -5.609 -19.587 -5.997 1.00 0.00 O ATOM 1832 OD2 ASP A 110 -4.072 -20.647 -4.800 1.00 0.00 O ATOM 0 H ASP A 110 -5.162 -18.226 -7.687 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.024 -19.557 -8.994 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.599 -20.485 -6.783 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.948 -18.771 -6.671 1.00 0.00 H new ATOM 1837 N GLU A 111 -5.771 -21.345 -8.473 1.00 0.00 N ATOM 1838 CA GLU A 111 -6.433 -22.611 -8.879 1.00 0.00 C ATOM 1839 C GLU A 111 -6.323 -22.799 -10.386 1.00 0.00 C ATOM 1840 O GLU A 111 -6.018 -23.893 -10.859 1.00 0.00 O ATOM 1841 CB GLU A 111 -7.921 -22.611 -8.481 1.00 0.00 C ATOM 1842 CG GLU A 111 -8.271 -23.179 -7.106 1.00 0.00 C ATOM 1843 CD GLU A 111 -9.785 -23.104 -6.804 1.00 0.00 C ATOM 1844 OE1 GLU A 111 -10.556 -22.546 -7.624 1.00 0.00 O ATOM 1845 OE2 GLU A 111 -10.160 -23.585 -5.711 1.00 0.00 O ATOM 0 H GLU A 111 -6.387 -20.669 -8.022 1.00 0.00 H new ATOM 0 HA GLU A 111 -5.930 -23.430 -8.365 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.284 -21.584 -8.526 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.473 -23.177 -9.232 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -7.944 -24.217 -7.051 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.723 -22.631 -6.340 1.00 0.00 H new ATOM 1852 N LEU A 112 -6.510 -21.706 -11.141 1.00 0.00 N ATOM 1853 CA LEU A 112 -6.301 -21.737 -12.584 1.00 0.00 C ATOM 1854 C LEU A 112 -4.819 -22.053 -12.914 1.00 0.00 C ATOM 1855 O LEU A 112 -4.536 -22.916 -13.746 1.00 0.00 O ATOM 1856 CB LEU A 112 -6.714 -20.399 -13.210 1.00 0.00 C ATOM 1857 CG LEU A 112 -6.462 -20.357 -14.728 1.00 0.00 C ATOM 1858 CD1 LEU A 112 -7.202 -21.474 -15.464 1.00 0.00 C ATOM 1859 CD2 LEU A 112 -6.899 -19.018 -15.326 1.00 0.00 C ATOM 0 H LEU A 112 -6.803 -20.800 -10.774 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.923 -22.527 -13.006 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.772 -20.221 -13.015 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.161 -19.591 -12.730 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.388 -20.492 -14.859 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.995 -21.405 -16.532 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.865 -22.441 -15.091 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.274 -21.373 -15.295 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.708 -19.019 -16.399 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.964 -18.870 -15.147 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.337 -18.210 -14.858 1.00 0.00 H new ATOM 1871 N VAL A 113 -3.879 -21.387 -12.212 1.00 0.00 N ATOM 1872 CA VAL A 113 -2.433 -21.665 -12.404 1.00 0.00 C ATOM 1873 C VAL A 113 -2.130 -23.149 -12.126 1.00 0.00 C ATOM 1874 O VAL A 113 -1.423 -23.802 -12.894 1.00 0.00 O ATOM 1875 CB VAL A 113 -1.584 -20.779 -11.453 1.00 0.00 C ATOM 1876 CG1 VAL A 113 -0.083 -21.095 -11.564 1.00 0.00 C ATOM 1877 CG2 VAL A 113 -1.725 -19.274 -11.702 1.00 0.00 C ATOM 0 H VAL A 113 -4.085 -20.667 -11.520 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.175 -21.434 -13.438 1.00 0.00 H new ATOM 0 HB VAL A 113 -1.977 -21.019 -10.465 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.475 -20.453 -10.882 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.089 -22.139 -11.303 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.252 -20.917 -12.586 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -1.100 -18.728 -10.996 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.410 -19.042 -12.720 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -2.766 -18.979 -11.568 1.00 0.00 H new ATOM 1887 N ARG A 114 -2.717 -23.682 -11.047 1.00 0.00 N ATOM 1888 CA ARG A 114 -2.567 -25.096 -10.694 1.00 0.00 C ATOM 1889 C ARG A 114 -3.145 -25.991 -11.795 1.00 0.00 C ATOM 1890 O ARG A 114 -2.476 -26.907 -12.260 1.00 0.00 O ATOM 1891 CB ARG A 114 -3.278 -25.383 -9.357 1.00 0.00 C ATOM 1892 CG ARG A 114 -3.203 -26.867 -8.955 1.00 0.00 C ATOM 1893 CD ARG A 114 -3.812 -27.128 -7.574 1.00 0.00 C ATOM 1894 NE ARG A 114 -2.975 -26.582 -6.494 1.00 0.00 N ATOM 1895 CZ ARG A 114 -3.191 -26.714 -5.191 1.00 0.00 C ATOM 1896 NH1 ARG A 114 -4.257 -27.325 -4.720 1.00 0.00 N ATOM 1897 NH2 ARG A 114 -2.329 -26.221 -4.334 1.00 0.00 N ATOM 0 H ARG A 114 -3.302 -23.151 -10.402 1.00 0.00 H new ATOM 0 HA ARG A 114 -1.504 -25.316 -10.590 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -2.828 -24.774 -8.572 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -4.323 -25.083 -9.434 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -3.724 -27.469 -9.699 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -2.162 -27.189 -8.957 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -4.805 -26.682 -7.525 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -3.937 -28.201 -7.429 1.00 0.00 H new ATOM 0 HE ARG A 114 -2.150 -26.051 -6.773 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -4.947 -27.714 -5.362 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -4.393 -27.409 -3.713 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -1.496 -25.738 -4.670 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -2.492 -26.321 -3.332 1.00 0.00 H new ATOM 1911 N HIS A 115 -4.355 -25.659 -12.270 1.00 0.00 N ATOM 1912 CA HIS A 115 -5.002 -26.420 -13.349 1.00 0.00 C ATOM 1913 C HIS A 115 -4.085 -26.516 -14.565 1.00 0.00 C ATOM 1914 O HIS A 115 -3.818 -27.609 -15.059 1.00 0.00 O ATOM 1915 CB HIS A 115 -6.326 -25.759 -13.753 1.00 0.00 C ATOM 1916 CG HIS A 115 -6.939 -26.471 -14.943 1.00 0.00 C ATOM 1917 ND1 HIS A 115 -7.275 -27.805 -14.974 1.00 0.00 N ATOM 1918 CD2 HIS A 115 -7.102 -25.977 -16.216 1.00 0.00 C ATOM 1919 CE1 HIS A 115 -7.613 -28.103 -16.238 1.00 0.00 C ATOM 1920 NE2 HIS A 115 -7.569 -27.014 -17.017 1.00 0.00 N ATOM 0 H HIS A 115 -4.904 -24.871 -11.925 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.204 -27.425 -12.979 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -7.020 -25.780 -12.913 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -6.155 -24.711 -13.998 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -7.268 -28.448 -14.183 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -6.903 -24.965 -16.537 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -7.885 -29.090 -16.582 1.00 0.00 H new ATOM 1928 N HIS A 116 -3.544 -25.370 -14.997 1.00 0.00 N ATOM 1929 CA HIS A 116 -2.587 -25.338 -16.100 1.00 0.00 C ATOM 1930 C HIS A 116 -1.367 -26.252 -15.798 1.00 0.00 C ATOM 1931 O HIS A 116 -0.905 -26.987 -16.672 1.00 0.00 O ATOM 1932 CB HIS A 116 -2.108 -23.897 -16.338 1.00 0.00 C ATOM 1933 CG HIS A 116 -3.129 -22.890 -16.834 1.00 0.00 C ATOM 1934 ND1 HIS A 116 -4.298 -23.112 -17.544 1.00 0.00 N ATOM 1935 CD2 HIS A 116 -2.958 -21.532 -16.766 1.00 0.00 C ATOM 1936 CE1 HIS A 116 -4.789 -21.914 -17.907 1.00 0.00 C ATOM 1937 NE2 HIS A 116 -4.011 -20.922 -17.450 1.00 0.00 N ATOM 0 H HIS A 116 -3.755 -24.456 -14.597 1.00 0.00 H new ATOM 0 HA HIS A 116 -3.085 -25.707 -16.996 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -1.693 -23.522 -15.402 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -1.291 -23.929 -17.058 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -2.147 -21.021 -16.268 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -5.688 -21.770 -18.488 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -4.159 -19.921 -17.577 1.00 0.00 H new ATOM 1945 N ASN A 117 -0.910 -26.255 -14.532 1.00 0.00 N ATOM 1946 CA ASN A 117 0.249 -27.065 -14.124 1.00 0.00 C ATOM 1947 C ASN A 117 -0.094 -28.576 -14.136 1.00 0.00 C ATOM 1948 O ASN A 117 0.802 -29.422 -14.154 1.00 0.00 O ATOM 1949 CB ASN A 117 0.707 -26.644 -12.710 1.00 0.00 C ATOM 1950 CG ASN A 117 2.179 -26.915 -12.409 1.00 0.00 C ATOM 1951 OD1 ASN A 117 2.874 -26.079 -11.858 1.00 0.00 O ATOM 1952 ND2 ASN A 117 2.708 -28.073 -12.746 1.00 0.00 N ATOM 0 H ASN A 117 -1.325 -25.707 -13.778 1.00 0.00 H new ATOM 0 HA ASN A 117 1.055 -26.893 -14.837 1.00 0.00 H new ATOM 0 HB2 ASN A 117 0.514 -25.579 -12.583 1.00 0.00 H new ATOM 0 HB3 ASN A 117 0.097 -27.168 -11.974 1.00 0.00 H new ATOM 0 HD21 ASN A 117 3.690 -28.263 -12.545 1.00 0.00 H new ATOM 0 HD22 ASN A 117 2.136 -28.780 -13.208 1.00 0.00 H new ATOM 1959 N MET A 118 -1.395 -28.895 -14.144 1.00 0.00 N ATOM 1960 CA MET A 118 -1.865 -30.283 -14.189 1.00 0.00 C ATOM 1961 C MET A 118 -2.469 -30.617 -15.572 1.00 0.00 C ATOM 1962 O MET A 118 -3.054 -31.683 -15.758 1.00 0.00 O ATOM 1963 CB MET A 118 -2.928 -30.507 -13.094 1.00 0.00 C ATOM 1964 CG MET A 118 -2.382 -30.317 -11.672 1.00 0.00 C ATOM 1965 SD MET A 118 -3.630 -30.419 -10.353 1.00 0.00 S ATOM 1966 CE MET A 118 -4.088 -32.172 -10.442 1.00 0.00 C ATOM 0 H MET A 118 -2.145 -28.204 -14.120 1.00 0.00 H new ATOM 0 HA MET A 118 -1.013 -30.940 -14.016 1.00 0.00 H new ATOM 0 HB2 MET A 118 -3.756 -29.816 -13.254 1.00 0.00 H new ATOM 0 HB3 MET A 118 -3.332 -31.515 -13.189 1.00 0.00 H new ATOM 0 HG2 MET A 118 -1.618 -31.072 -11.488 1.00 0.00 H new ATOM 0 HG3 MET A 118 -1.891 -29.345 -11.614 1.00 0.00 H new ATOM 0 HE1 MET A 118 -4.781 -32.409 -9.634 1.00 0.00 H new ATOM 0 HE2 MET A 118 -4.565 -32.375 -11.401 1.00 0.00 H new ATOM 0 HE3 MET A 118 -3.193 -32.787 -10.344 1.00 0.00 H new ATOM 1976 N HIS A 119 -2.359 -29.676 -16.524 1.00 0.00 N ATOM 1977 CA HIS A 119 -3.023 -29.809 -17.818 1.00 0.00 C ATOM 1978 C HIS A 119 -2.311 -30.840 -18.698 1.00 0.00 C ATOM 1979 O HIS A 119 -2.770 -31.153 -19.800 1.00 0.00 O ATOM 1980 CB HIS A 119 -3.054 -28.454 -18.526 1.00 0.00 C ATOM 1981 CG HIS A 119 -4.331 -28.268 -19.284 1.00 0.00 C ATOM 1982 ND1 HIS A 119 -4.820 -29.105 -20.257 1.00 0.00 N ATOM 1983 CD2 HIS A 119 -5.296 -27.352 -18.982 1.00 0.00 C ATOM 1984 CE1 HIS A 119 -6.076 -28.701 -20.522 1.00 0.00 C ATOM 1985 NE2 HIS A 119 -6.409 -27.662 -19.759 1.00 0.00 N ATOM 0 H HIS A 119 -1.816 -28.819 -16.416 1.00 0.00 H new ATOM 0 HA HIS A 119 -4.043 -30.153 -17.646 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.944 -27.655 -17.793 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -2.208 -28.378 -19.209 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -5.212 -26.540 -18.274 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -6.726 -29.158 -21.254 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -7.310 -27.183 -19.746 1.00 0.00 H new