USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 628 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 65 GLN : amide:sc= 0.405 K(o=-0.97,f=-10) USER MOD Set 1.2: A 67 ASN : amide:sc= -1.38 K(o=-0.97,f=-10!) USER MOD Set 2.1: A 8 CYS SG : rot 148:sc= 0.8 USER MOD Set 2.2: A 11 CYS SG : rot -55:sc= -0.285 USER MOD Set 2.3: A 15 TYR OH : rot -149:sc= 1.01 USER MOD Set 2.4: A 31 CYS SG : rot 180:sc= 0.322 USER MOD Set 2.5: A 34 CYS SG : rot 98:sc= 0.115 USER MOD Set 3.1: A 26 CYS SG : rot 107:sc= 1.07 USER MOD Set 3.2: A 28 CYS SG : rot 45:sc= 1.09 USER MOD Set 3.3: A 53 CYS SG : rot 128:sc= -1.77 USER MOD Set 3.4: A 58 CYS SG : rot 111:sc= 0.422 USER MOD Single : A 6 SER OG : rot 29:sc= 0.0106 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 20 MET CE :methyl -118:sc= 0 (180deg=-2.05!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.352 USER MOD Single : A 25 GLN : amide:sc= -0.0348 X(o=-0.035,f=-0.14) USER MOD Single : A 27 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.29) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot 171:sc= 1.15 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0.0164 K(o=0.016,f=-0.52) USER MOD Single : A 71 CYS SG : rot 32:sc= 0.0619 USER MOD Single : A 72 MET CE :methyl 176:sc= -1.28 (180deg=-1.33) USER MOD Single : A 78 MET CE :methyl 166:sc= -0.696 (180deg=-1.49) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -143:sc= -0.0411 (180deg=-0.134) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 -12.616 -16.992 -2.950 1.00 0.00 N ATOM 49 CA SER A 6 -11.533 -17.059 -3.924 1.00 0.00 C ATOM 50 C SER A 6 -10.222 -17.457 -3.252 1.00 0.00 C ATOM 51 O SER A 6 -9.312 -17.973 -3.900 1.00 0.00 O ATOM 52 CB SER A 6 -11.370 -15.711 -4.629 1.00 0.00 C ATOM 53 OG SER A 6 -12.503 -15.412 -5.425 1.00 0.00 O ATOM 0 HA SER A 6 -11.787 -17.819 -4.663 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.224 -14.925 -3.888 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.477 -15.729 -5.254 1.00 0.00 H new ATOM 0 HG SER A 6 -13.296 -15.838 -5.038 1.00 0.00 H new ATOM 59 N GLY A 7 -10.133 -17.212 -1.949 1.00 0.00 N ATOM 60 CA GLY A 7 -8.931 -17.551 -1.211 1.00 0.00 C ATOM 61 C GLY A 7 -7.868 -16.475 -1.309 1.00 0.00 C ATOM 62 O GLY A 7 -7.438 -16.115 -2.406 1.00 0.00 O ATOM 0 H GLY A 7 -10.872 -16.785 -1.391 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.185 -17.712 -0.163 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.529 -18.491 -1.590 1.00 0.00 H new ATOM 66 N CYS A 8 -7.442 -15.958 -0.161 1.00 0.00 N ATOM 67 CA CYS A 8 -6.424 -14.915 -0.123 1.00 0.00 C ATOM 68 C CYS A 8 -5.026 -15.515 -0.231 1.00 0.00 C ATOM 69 O CYS A 8 -4.603 -16.293 0.626 1.00 0.00 O ATOM 70 CB CYS A 8 -6.544 -14.104 1.169 1.00 0.00 C ATOM 71 SG CYS A 8 -5.544 -12.581 1.187 1.00 0.00 S ATOM 0 H CYS A 8 -7.786 -16.245 0.755 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.584 -14.255 -0.976 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.590 -13.841 1.324 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.245 -14.732 2.008 1.00 0.00 H new ATOM 0 HG CYS A 8 -6.153 -11.670 1.887 1.00 0.00 H new ATOM 76 N LYS A 9 -4.311 -15.149 -1.290 1.00 0.00 N ATOM 77 CA LYS A 9 -2.959 -15.649 -1.511 1.00 0.00 C ATOM 78 C LYS A 9 -2.024 -15.200 -0.393 1.00 0.00 C ATOM 79 O LYS A 9 -0.861 -15.606 -0.343 1.00 0.00 O ATOM 80 CB LYS A 9 -2.429 -15.162 -2.861 1.00 0.00 C ATOM 81 CG LYS A 9 -1.294 -16.010 -3.410 1.00 0.00 C ATOM 82 CD LYS A 9 -0.350 -15.187 -4.271 1.00 0.00 C ATOM 83 CE LYS A 9 0.293 -16.035 -5.359 1.00 0.00 C ATOM 84 NZ LYS A 9 -0.636 -16.270 -6.500 1.00 0.00 N ATOM 0 H LYS A 9 -4.646 -14.508 -2.009 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.996 -16.738 -1.514 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.247 -15.154 -3.582 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.085 -14.133 -2.757 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.739 -16.456 -2.584 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.704 -16.831 -3.999 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.897 -14.362 -4.727 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.426 -14.747 -3.644 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.194 -15.540 -5.720 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.602 -16.992 -4.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.161 -16.851 -7.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.485 -16.765 -6.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.911 -15.358 -6.917 1.00 0.00 H new ATOM 98 N LEU A 10 -2.537 -14.362 0.501 1.00 0.00 N ATOM 99 CA LEU A 10 -1.747 -13.861 1.620 1.00 0.00 C ATOM 100 C LEU A 10 -2.091 -14.604 2.907 1.00 0.00 C ATOM 101 O LEU A 10 -1.250 -15.299 3.478 1.00 0.00 O ATOM 102 CB LEU A 10 -1.985 -12.361 1.805 1.00 0.00 C ATOM 103 CG LEU A 10 -1.266 -11.440 0.818 1.00 0.00 C ATOM 104 CD1 LEU A 10 -1.928 -10.071 0.786 1.00 0.00 C ATOM 105 CD2 LEU A 10 0.207 -11.315 1.181 1.00 0.00 C ATOM 0 H LEU A 10 -3.496 -14.015 0.473 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.694 -14.032 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.056 -12.172 1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.680 -12.087 2.815 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.338 -11.878 -0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.403 -9.429 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.968 -10.177 0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.888 -9.624 1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.703 -10.656 0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.300 -10.900 2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.674 -12.299 1.151 1.00 0.00 H new ATOM 117 N CYS A 11 -3.332 -14.455 3.356 1.00 0.00 N ATOM 118 CA CYS A 11 -3.789 -15.113 4.574 1.00 0.00 C ATOM 119 C CYS A 11 -4.504 -16.422 4.250 1.00 0.00 C ATOM 120 O CYS A 11 -5.264 -16.945 5.066 1.00 0.00 O ATOM 121 CB CYS A 11 -4.723 -14.189 5.359 1.00 0.00 C ATOM 122 SG CYS A 11 -6.219 -13.696 4.446 1.00 0.00 S ATOM 0 H CYS A 11 -4.040 -13.884 2.894 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.915 -15.339 5.185 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.021 -14.689 6.281 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.173 -13.293 5.646 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.878 -13.158 3.313 1.00 0.00 H new ATOM 127 N LEU A 12 -4.257 -16.944 3.055 1.00 0.00 N ATOM 128 CA LEU A 12 -4.876 -18.192 2.622 1.00 0.00 C ATOM 129 C LEU A 12 -6.275 -18.338 3.212 1.00 0.00 C ATOM 130 O LEU A 12 -6.620 -19.383 3.763 1.00 0.00 O ATOM 131 CB LEU A 12 -4.009 -19.383 3.031 1.00 0.00 C ATOM 132 CG LEU A 12 -4.042 -20.591 2.093 1.00 0.00 C ATOM 133 CD1 LEU A 12 -3.496 -20.217 0.723 1.00 0.00 C ATOM 134 CD2 LEU A 12 -3.252 -21.749 2.685 1.00 0.00 C ATOM 0 H LEU A 12 -3.632 -16.523 2.368 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.961 -18.170 1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.977 -19.043 3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.321 -19.710 4.023 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.079 -20.907 1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.527 -21.088 0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.103 -19.420 0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.466 -19.875 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.287 -22.599 2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.216 -21.445 2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.687 -22.034 3.643 1.00 0.00 H new ATOM 146 N GLY A 13 -7.076 -17.285 3.091 1.00 0.00 N ATOM 147 CA GLY A 13 -8.429 -17.318 3.616 1.00 0.00 C ATOM 148 C GLY A 13 -9.477 -17.224 2.525 1.00 0.00 C ATOM 149 O GLY A 13 -9.354 -16.415 1.606 1.00 0.00 O ATOM 0 H GLY A 13 -6.813 -16.409 2.639 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.575 -18.241 4.177 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.564 -16.494 4.317 1.00 0.00 H new ATOM 153 N GLU A 14 -10.510 -18.055 2.624 1.00 0.00 N ATOM 154 CA GLU A 14 -11.582 -18.064 1.635 1.00 0.00 C ATOM 155 C GLU A 14 -12.516 -16.874 1.837 1.00 0.00 C ATOM 156 O GLU A 14 -13.315 -16.849 2.773 1.00 0.00 O ATOM 157 CB GLU A 14 -12.375 -19.369 1.721 1.00 0.00 C ATOM 158 CG GLU A 14 -11.683 -20.546 1.055 1.00 0.00 C ATOM 159 CD GLU A 14 -12.043 -20.680 -0.412 1.00 0.00 C ATOM 160 OE1 GLU A 14 -13.180 -21.103 -0.709 1.00 0.00 O ATOM 161 OE2 GLU A 14 -11.186 -20.364 -1.263 1.00 0.00 O ATOM 0 H GLU A 14 -10.627 -18.731 3.379 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.131 -17.987 0.646 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.552 -19.608 2.770 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.351 -19.223 1.258 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.603 -20.430 1.151 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.953 -21.464 1.577 1.00 0.00 H new ATOM 168 N TYR A 15 -12.409 -15.888 0.952 1.00 0.00 N ATOM 169 CA TYR A 15 -13.242 -14.694 1.033 1.00 0.00 C ATOM 170 C TYR A 15 -13.920 -14.411 -0.305 1.00 0.00 C ATOM 171 O TYR A 15 -13.420 -14.769 -1.372 1.00 0.00 O ATOM 172 CB TYR A 15 -12.401 -13.489 1.456 1.00 0.00 C ATOM 173 CG TYR A 15 -11.492 -13.767 2.633 1.00 0.00 C ATOM 174 CD1 TYR A 15 -11.951 -13.636 3.938 1.00 0.00 C ATOM 175 CD2 TYR A 15 -10.175 -14.164 2.438 1.00 0.00 C ATOM 176 CE1 TYR A 15 -11.124 -13.889 5.014 1.00 0.00 C ATOM 177 CE2 TYR A 15 -9.341 -14.421 3.510 1.00 0.00 C ATOM 178 CZ TYR A 15 -9.820 -14.281 4.795 1.00 0.00 C ATOM 179 OH TYR A 15 -8.993 -14.536 5.866 1.00 0.00 O ATOM 0 H TYR A 15 -11.754 -15.893 0.171 1.00 0.00 H new ATOM 0 HA TYR A 15 -14.015 -14.870 1.781 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.796 -13.164 0.610 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -13.066 -12.663 1.709 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -12.972 -13.331 4.113 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -9.797 -14.274 1.432 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -11.496 -13.781 6.022 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.320 -14.730 3.342 1.00 0.00 H new ATOM 0 HH TYR A 15 -8.069 -14.317 5.625 1.00 0.00 H new ATOM 189 N PRO A 16 -15.086 -13.751 -0.247 1.00 0.00 N ATOM 190 CA PRO A 16 -15.858 -13.403 -1.443 1.00 0.00 C ATOM 191 C PRO A 16 -15.178 -12.325 -2.280 1.00 0.00 C ATOM 192 O PRO A 16 -14.544 -11.415 -1.742 1.00 0.00 O ATOM 193 CB PRO A 16 -17.180 -12.883 -0.874 1.00 0.00 C ATOM 194 CG PRO A 16 -16.838 -12.395 0.492 1.00 0.00 C ATOM 195 CD PRO A 16 -15.741 -13.294 0.990 1.00 0.00 C ATOM 0 HA PRO A 16 -15.972 -14.254 -2.115 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -17.588 -12.082 -1.490 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -17.932 -13.671 -0.836 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -16.509 -11.356 0.464 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.706 -12.437 1.150 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.047 -12.759 1.638 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -16.137 -14.129 1.567 1.00 0.00 H new ATOM 203 N VAL A 17 -15.311 -12.432 -3.598 1.00 0.00 N ATOM 204 CA VAL A 17 -14.710 -11.464 -4.509 1.00 0.00 C ATOM 205 C VAL A 17 -15.073 -10.038 -4.112 1.00 0.00 C ATOM 206 O VAL A 17 -14.391 -9.086 -4.490 1.00 0.00 O ATOM 207 CB VAL A 17 -15.155 -11.711 -5.962 1.00 0.00 C ATOM 208 CG1 VAL A 17 -14.608 -13.036 -6.471 1.00 0.00 C ATOM 209 CG2 VAL A 17 -16.672 -11.674 -6.069 1.00 0.00 C ATOM 0 H VAL A 17 -15.830 -13.179 -4.059 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.630 -11.592 -4.441 1.00 0.00 H new ATOM 0 HB VAL A 17 -14.751 -10.915 -6.587 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -14.933 -13.193 -7.499 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -13.519 -13.018 -6.433 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -14.980 -13.847 -5.845 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -16.968 -11.851 -7.103 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -17.101 -12.447 -5.432 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -17.036 -10.698 -5.749 1.00 0.00 H new ATOM 219 N GLU A 18 -16.152 -9.898 -3.349 1.00 0.00 N ATOM 220 CA GLU A 18 -16.605 -8.585 -2.901 1.00 0.00 C ATOM 221 C GLU A 18 -15.560 -7.924 -2.008 1.00 0.00 C ATOM 222 O GLU A 18 -15.353 -6.712 -2.071 1.00 0.00 O ATOM 223 CB GLU A 18 -17.931 -8.710 -2.147 1.00 0.00 C ATOM 224 CG GLU A 18 -19.072 -9.232 -3.004 1.00 0.00 C ATOM 225 CD GLU A 18 -20.433 -8.830 -2.470 1.00 0.00 C ATOM 226 OE1 GLU A 18 -20.646 -7.620 -2.239 1.00 0.00 O ATOM 227 OE2 GLU A 18 -21.285 -9.723 -2.283 1.00 0.00 O ATOM 0 H GLU A 18 -16.729 -10.676 -3.028 1.00 0.00 H new ATOM 0 HA GLU A 18 -16.752 -7.959 -3.781 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -17.793 -9.376 -1.295 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -18.205 -7.734 -1.747 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -18.959 -8.856 -4.021 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -19.013 -10.319 -3.058 1.00 0.00 H new ATOM 234 N GLN A 19 -14.904 -8.728 -1.178 1.00 0.00 N ATOM 235 CA GLN A 19 -13.881 -8.221 -0.271 1.00 0.00 C ATOM 236 C GLN A 19 -12.486 -8.584 -0.767 1.00 0.00 C ATOM 237 O GLN A 19 -11.583 -8.849 0.027 1.00 0.00 O ATOM 238 CB GLN A 19 -14.096 -8.778 1.138 1.00 0.00 C ATOM 239 CG GLN A 19 -15.269 -8.147 1.870 1.00 0.00 C ATOM 240 CD GLN A 19 -15.366 -8.596 3.314 1.00 0.00 C ATOM 241 OE1 GLN A 19 -14.429 -9.181 3.858 1.00 0.00 O ATOM 242 NE2 GLN A 19 -16.503 -8.325 3.943 1.00 0.00 N ATOM 0 H GLN A 19 -15.063 -9.734 -1.115 1.00 0.00 H new ATOM 0 HA GLN A 19 -13.965 -7.135 -0.241 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.255 -9.854 1.074 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.189 -8.625 1.723 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.172 -7.062 1.837 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -16.194 -8.400 1.352 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.253 -7.838 3.453 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.626 -8.604 4.916 1.00 0.00 H new ATOM 251 N MET A 20 -12.316 -8.594 -2.085 1.00 0.00 N ATOM 252 CA MET A 20 -11.028 -8.924 -2.686 1.00 0.00 C ATOM 253 C MET A 20 -10.685 -7.946 -3.807 1.00 0.00 C ATOM 254 O MET A 20 -11.573 -7.363 -4.430 1.00 0.00 O ATOM 255 CB MET A 20 -11.047 -10.354 -3.230 1.00 0.00 C ATOM 256 CG MET A 20 -11.540 -11.381 -2.224 1.00 0.00 C ATOM 257 SD MET A 20 -10.246 -11.914 -1.086 1.00 0.00 S ATOM 258 CE MET A 20 -9.362 -13.091 -2.106 1.00 0.00 C ATOM 0 H MET A 20 -13.052 -8.378 -2.757 1.00 0.00 H new ATOM 0 HA MET A 20 -10.263 -8.847 -1.913 1.00 0.00 H new ATOM 0 HB2 MET A 20 -11.684 -10.389 -4.114 1.00 0.00 H new ATOM 0 HB3 MET A 20 -10.041 -10.625 -3.550 1.00 0.00 H new ATOM 0 HG2 MET A 20 -12.368 -10.958 -1.655 1.00 0.00 H new ATOM 0 HG3 MET A 20 -11.930 -12.248 -2.757 1.00 0.00 H new ATOM 0 HE1 MET A 20 -9.414 -14.079 -1.650 1.00 0.00 H new ATOM 0 HE2 MET A 20 -9.814 -13.125 -3.097 1.00 0.00 H new ATOM 0 HE3 MET A 20 -8.319 -12.786 -2.193 1.00 0.00 H new ATOM 268 N THR A 21 -9.392 -7.771 -4.056 1.00 0.00 N ATOM 269 CA THR A 21 -8.931 -6.863 -5.099 1.00 0.00 C ATOM 270 C THR A 21 -7.884 -7.529 -5.985 1.00 0.00 C ATOM 271 O THR A 21 -6.909 -8.097 -5.492 1.00 0.00 O ATOM 272 CB THR A 21 -8.336 -5.574 -4.500 1.00 0.00 C ATOM 273 OG1 THR A 21 -9.313 -4.916 -3.687 1.00 0.00 O ATOM 274 CG2 THR A 21 -7.866 -4.634 -5.598 1.00 0.00 C ATOM 0 H THR A 21 -8.645 -8.246 -3.550 1.00 0.00 H new ATOM 0 HA THR A 21 -9.802 -6.606 -5.701 1.00 0.00 H new ATOM 0 HB THR A 21 -7.478 -5.847 -3.886 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.927 -4.099 -3.309 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.450 -3.731 -5.151 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.101 -5.128 -6.197 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.710 -4.368 -6.235 1.00 0.00 H new ATOM 282 N THR A 22 -8.090 -7.454 -7.296 1.00 0.00 N ATOM 283 CA THR A 22 -7.164 -8.050 -8.251 1.00 0.00 C ATOM 284 C THR A 22 -6.298 -6.985 -8.915 1.00 0.00 C ATOM 285 O THR A 22 -6.810 -6.024 -9.488 1.00 0.00 O ATOM 286 CB THR A 22 -7.912 -8.839 -9.341 1.00 0.00 C ATOM 287 OG1 THR A 22 -8.639 -9.923 -8.751 1.00 0.00 O ATOM 288 CG2 THR A 22 -6.941 -9.380 -10.380 1.00 0.00 C ATOM 0 H THR A 22 -8.891 -6.986 -7.721 1.00 0.00 H new ATOM 0 HA THR A 22 -6.528 -8.734 -7.689 1.00 0.00 H new ATOM 0 HB THR A 22 -8.608 -8.161 -9.835 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.113 -10.418 -9.451 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.492 -9.934 -11.140 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.410 -8.551 -10.849 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.223 -10.043 -9.897 1.00 0.00 H new ATOM 296 N ILE A 23 -4.984 -7.162 -8.833 1.00 0.00 N ATOM 297 CA ILE A 23 -4.047 -6.217 -9.427 1.00 0.00 C ATOM 298 C ILE A 23 -3.890 -6.466 -10.923 1.00 0.00 C ATOM 299 O ILE A 23 -3.778 -7.610 -11.364 1.00 0.00 O ATOM 300 CB ILE A 23 -2.663 -6.299 -8.756 1.00 0.00 C ATOM 301 CG1 ILE A 23 -2.812 -6.353 -7.234 1.00 0.00 C ATOM 302 CG2 ILE A 23 -1.804 -5.114 -9.168 1.00 0.00 C ATOM 303 CD1 ILE A 23 -1.612 -6.947 -6.531 1.00 0.00 C ATOM 0 H ILE A 23 -4.544 -7.952 -8.361 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.460 -5.221 -9.268 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.169 -7.213 -9.086 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.981 -5.344 -6.857 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.696 -6.939 -6.984 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.829 -5.186 -8.686 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.675 -5.117 -10.250 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.292 -4.188 -8.864 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.787 -6.954 -5.455 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.455 -7.968 -6.880 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.728 -6.348 -6.751 1.00 0.00 H new ATOM 315 N ALA A 24 -3.881 -5.387 -11.699 1.00 0.00 N ATOM 316 CA ALA A 24 -3.734 -5.488 -13.146 1.00 0.00 C ATOM 317 C ALA A 24 -2.266 -5.438 -13.552 1.00 0.00 C ATOM 318 O ALA A 24 -1.933 -5.001 -14.654 1.00 0.00 O ATOM 319 CB ALA A 24 -4.513 -4.377 -13.834 1.00 0.00 C ATOM 0 H ALA A 24 -3.974 -4.433 -11.350 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.139 -6.449 -13.462 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.394 -4.464 -14.914 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.569 -4.460 -13.577 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.134 -3.409 -13.505 1.00 0.00 H new ATOM 325 N GLN A 25 -1.392 -5.889 -12.658 1.00 0.00 N ATOM 326 CA GLN A 25 0.042 -5.893 -12.924 1.00 0.00 C ATOM 327 C GLN A 25 0.582 -7.318 -12.972 1.00 0.00 C ATOM 328 O GLN A 25 1.371 -7.665 -13.851 1.00 0.00 O ATOM 329 CB GLN A 25 0.783 -5.090 -11.854 1.00 0.00 C ATOM 330 CG GLN A 25 0.804 -3.593 -12.122 1.00 0.00 C ATOM 331 CD GLN A 25 1.881 -3.192 -13.109 1.00 0.00 C ATOM 332 OE1 GLN A 25 1.693 -3.279 -14.323 1.00 0.00 O ATOM 333 NE2 GLN A 25 3.021 -2.747 -12.593 1.00 0.00 N ATOM 0 H GLN A 25 -1.652 -6.257 -11.743 1.00 0.00 H new ATOM 0 HA GLN A 25 0.207 -5.428 -13.896 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.315 -5.271 -10.886 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.809 -5.453 -11.785 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.168 -3.283 -12.505 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.961 -3.062 -11.183 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.135 -2.691 -11.581 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.782 -2.461 -13.209 1.00 0.00 H new ATOM 342 N CYS A 26 0.152 -8.141 -12.021 1.00 0.00 N ATOM 343 CA CYS A 26 0.592 -9.529 -11.954 1.00 0.00 C ATOM 344 C CYS A 26 -0.598 -10.470 -11.787 1.00 0.00 C ATOM 345 O CYS A 26 -0.435 -11.631 -11.411 1.00 0.00 O ATOM 346 CB CYS A 26 1.573 -9.719 -10.794 1.00 0.00 C ATOM 347 SG CYS A 26 1.009 -9.001 -9.219 1.00 0.00 S ATOM 0 H CYS A 26 -0.501 -7.870 -11.286 1.00 0.00 H new ATOM 0 HA CYS A 26 1.095 -9.770 -12.891 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.750 -10.785 -10.652 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.529 -9.271 -11.064 1.00 0.00 H new ATOM 0 HG CYS A 26 0.647 -9.954 -8.413 1.00 0.00 H new ATOM 352 N GLN A 27 -1.792 -9.960 -12.070 1.00 0.00 N ATOM 353 CA GLN A 27 -3.008 -10.755 -11.952 1.00 0.00 C ATOM 354 C GLN A 27 -3.082 -11.437 -10.589 1.00 0.00 C ATOM 355 O GLN A 27 -3.425 -12.616 -10.490 1.00 0.00 O ATOM 356 CB GLN A 27 -3.068 -11.804 -13.064 1.00 0.00 C ATOM 357 CG GLN A 27 -3.675 -11.285 -14.357 1.00 0.00 C ATOM 358 CD GLN A 27 -2.984 -10.036 -14.867 1.00 0.00 C ATOM 359 OE1 GLN A 27 -2.025 -10.113 -15.636 1.00 0.00 O ATOM 360 NE2 GLN A 27 -3.467 -8.875 -14.441 1.00 0.00 N ATOM 0 H GLN A 27 -1.943 -9.001 -12.382 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.861 -10.084 -12.050 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.060 -12.166 -13.265 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.650 -12.658 -12.716 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.619 -12.063 -15.118 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.732 -11.071 -14.197 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.263 -8.857 -13.804 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.042 -8.001 -14.751 1.00 0.00 H new ATOM 369 N CYS A 28 -2.759 -10.688 -9.540 1.00 0.00 N ATOM 370 CA CYS A 28 -2.788 -11.218 -8.183 1.00 0.00 C ATOM 371 C CYS A 28 -3.990 -10.680 -7.413 1.00 0.00 C ATOM 372 O CYS A 28 -4.334 -9.502 -7.524 1.00 0.00 O ATOM 373 CB CYS A 28 -1.495 -10.863 -7.446 1.00 0.00 C ATOM 374 SG CYS A 28 -0.049 -11.840 -7.967 1.00 0.00 S ATOM 0 H CYS A 28 -2.474 -9.711 -9.604 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.876 -12.303 -8.246 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.280 -9.806 -7.600 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.649 -11.004 -6.376 1.00 0.00 H new ATOM 0 HG CYS A 28 -0.017 -11.909 -9.265 1.00 0.00 H new ATOM 379 N ILE A 29 -4.625 -11.548 -6.634 1.00 0.00 N ATOM 380 CA ILE A 29 -5.788 -11.160 -5.845 1.00 0.00 C ATOM 381 C ILE A 29 -5.484 -11.222 -4.352 1.00 0.00 C ATOM 382 O ILE A 29 -4.752 -12.098 -3.892 1.00 0.00 O ATOM 383 CB ILE A 29 -7.000 -12.058 -6.149 1.00 0.00 C ATOM 384 CG1 ILE A 29 -8.281 -11.429 -5.597 1.00 0.00 C ATOM 385 CG2 ILE A 29 -6.792 -13.447 -5.563 1.00 0.00 C ATOM 386 CD1 ILE A 29 -9.536 -11.900 -6.297 1.00 0.00 C ATOM 0 H ILE A 29 -4.354 -12.526 -6.532 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.029 -10.134 -6.122 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.100 -12.152 -7.230 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.360 -11.658 -4.534 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.211 -10.345 -5.685 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.658 -14.070 -5.787 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.900 -13.896 -5.999 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.669 -13.371 -4.483 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.405 -11.413 -5.854 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.479 -11.647 -7.356 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.630 -12.980 -6.187 1.00 0.00 H new ATOM 398 N PHE A 30 -6.054 -10.287 -3.599 1.00 0.00 N ATOM 399 CA PHE A 30 -5.846 -10.236 -2.157 1.00 0.00 C ATOM 400 C PHE A 30 -7.032 -9.575 -1.459 1.00 0.00 C ATOM 401 O PHE A 30 -7.752 -8.776 -2.057 1.00 0.00 O ATOM 402 CB PHE A 30 -4.559 -9.474 -1.832 1.00 0.00 C ATOM 403 CG PHE A 30 -3.352 -10.004 -2.550 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.685 -11.124 -2.079 1.00 0.00 C ATOM 405 CD2 PHE A 30 -2.882 -9.382 -3.697 1.00 0.00 C ATOM 406 CE1 PHE A 30 -1.574 -11.615 -2.738 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.772 -9.869 -4.360 1.00 0.00 C ATOM 408 CZ PHE A 30 -1.116 -10.986 -3.879 1.00 0.00 C ATOM 0 H PHE A 30 -6.663 -9.555 -3.964 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.756 -11.259 -1.792 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.693 -8.423 -2.090 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.381 -9.518 -0.757 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.038 -11.619 -1.186 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.389 -8.507 -4.076 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.065 -12.490 -2.361 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.417 -9.377 -5.254 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.247 -11.367 -4.394 1.00 0.00 H new ATOM 418 N CYS A 31 -7.228 -9.916 -0.190 1.00 0.00 N ATOM 419 CA CYS A 31 -8.325 -9.358 0.591 1.00 0.00 C ATOM 420 C CYS A 31 -7.990 -7.948 1.072 1.00 0.00 C ATOM 421 O CYS A 31 -6.904 -7.700 1.596 1.00 0.00 O ATOM 422 CB CYS A 31 -8.636 -10.257 1.790 1.00 0.00 C ATOM 423 SG CYS A 31 -7.443 -10.108 3.159 1.00 0.00 S ATOM 0 H CYS A 31 -6.641 -10.576 0.320 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.204 -9.305 -0.052 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -9.632 -10.017 2.162 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.662 -11.294 1.456 1.00 0.00 H new ATOM 0 HG CYS A 31 -7.791 -10.904 4.126 1.00 0.00 H new ATOM 428 N THR A 32 -8.931 -7.027 0.891 1.00 0.00 N ATOM 429 CA THR A 32 -8.736 -5.644 1.304 1.00 0.00 C ATOM 430 C THR A 32 -7.858 -5.559 2.547 1.00 0.00 C ATOM 431 O THR A 32 -6.742 -5.037 2.498 1.00 0.00 O ATOM 432 CB THR A 32 -10.081 -4.949 1.592 1.00 0.00 C ATOM 433 OG1 THR A 32 -10.908 -4.979 0.425 1.00 0.00 O ATOM 434 CG2 THR A 32 -9.862 -3.507 2.028 1.00 0.00 C ATOM 0 H THR A 32 -9.836 -7.215 0.461 1.00 0.00 H new ATOM 0 HA THR A 32 -8.241 -5.135 0.477 1.00 0.00 H new ATOM 0 HB THR A 32 -10.576 -5.486 2.401 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.761 -4.537 0.617 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.825 -3.036 2.226 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.256 -3.489 2.934 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.348 -2.962 1.237 1.00 0.00 H new ATOM 442 N LEU A 33 -8.364 -6.077 3.660 1.00 0.00 N ATOM 443 CA LEU A 33 -7.623 -6.063 4.917 1.00 0.00 C ATOM 444 C LEU A 33 -6.126 -6.214 4.668 1.00 0.00 C ATOM 445 O LEU A 33 -5.332 -5.356 5.055 1.00 0.00 O ATOM 446 CB LEU A 33 -8.115 -7.182 5.834 1.00 0.00 C ATOM 447 CG LEU A 33 -9.457 -6.942 6.527 1.00 0.00 C ATOM 448 CD1 LEU A 33 -9.386 -5.711 7.417 1.00 0.00 C ATOM 449 CD2 LEU A 33 -10.569 -6.796 5.499 1.00 0.00 C ATOM 0 H LEU A 33 -9.285 -6.512 3.718 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.796 -5.102 5.402 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.190 -8.098 5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.359 -7.355 6.600 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.680 -7.805 7.154 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.350 -5.556 7.902 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.617 -5.855 8.176 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.140 -4.838 6.812 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.517 -6.626 6.010 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.352 -5.951 4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.636 -7.707 4.904 1.00 0.00 H new ATOM 461 N CYS A 34 -5.746 -7.308 4.019 1.00 0.00 N ATOM 462 CA CYS A 34 -4.346 -7.572 3.716 1.00 0.00 C ATOM 463 C CYS A 34 -3.743 -6.435 2.896 1.00 0.00 C ATOM 464 O CYS A 34 -2.868 -5.709 3.368 1.00 0.00 O ATOM 465 CB CYS A 34 -4.205 -8.894 2.957 1.00 0.00 C ATOM 466 SG CYS A 34 -4.049 -10.355 4.033 1.00 0.00 S ATOM 0 H CYS A 34 -6.390 -8.028 3.692 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.804 -7.644 4.659 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.072 -9.023 2.310 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.330 -8.838 2.310 1.00 0.00 H new ATOM 0 HG CYS A 34 -5.209 -10.930 4.155 1.00 0.00 H new ATOM 471 N LEU A 35 -4.217 -6.287 1.663 1.00 0.00 N ATOM 472 CA LEU A 35 -3.726 -5.239 0.775 1.00 0.00 C ATOM 473 C LEU A 35 -3.685 -3.893 1.492 1.00 0.00 C ATOM 474 O LEU A 35 -2.936 -2.995 1.107 1.00 0.00 O ATOM 475 CB LEU A 35 -4.611 -5.140 -0.468 1.00 0.00 C ATOM 476 CG LEU A 35 -4.128 -5.907 -1.699 1.00 0.00 C ATOM 477 CD1 LEU A 35 -5.285 -6.180 -2.648 1.00 0.00 C ATOM 478 CD2 LEU A 35 -3.026 -5.134 -2.409 1.00 0.00 C ATOM 0 H LEU A 35 -4.941 -6.880 1.256 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.712 -5.500 0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.607 -5.498 -0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.710 -4.088 -0.736 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.722 -6.864 -1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.921 -6.727 -3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.042 -6.774 -2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.722 -5.235 -2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.694 -5.694 -3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.408 -4.163 -2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.186 -4.991 -1.729 1.00 0.00 H new ATOM 490 N LYS A 36 -4.492 -3.761 2.539 1.00 0.00 N ATOM 491 CA LYS A 36 -4.547 -2.527 3.314 1.00 0.00 C ATOM 492 C LYS A 36 -3.335 -2.408 4.233 1.00 0.00 C ATOM 493 O LYS A 36 -2.533 -1.485 4.100 1.00 0.00 O ATOM 494 CB LYS A 36 -5.835 -2.475 4.139 1.00 0.00 C ATOM 495 CG LYS A 36 -6.134 -1.101 4.712 1.00 0.00 C ATOM 496 CD LYS A 36 -7.518 -1.048 5.336 1.00 0.00 C ATOM 497 CE LYS A 36 -7.483 -1.444 6.804 1.00 0.00 C ATOM 498 NZ LYS A 36 -8.798 -1.227 7.469 1.00 0.00 N ATOM 0 H LYS A 36 -5.118 -4.495 2.871 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.536 -1.689 2.618 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.671 -2.788 3.513 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.762 -3.193 4.956 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.385 -0.848 5.463 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.060 -0.353 3.923 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.924 -0.041 5.239 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.188 -1.715 4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.201 -2.493 6.890 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.716 -0.865 7.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.733 -1.509 8.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.055 -0.221 7.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.525 -1.799 6.995 1.00 0.00 H new ATOM 512 N GLN A 37 -3.211 -3.348 5.164 1.00 0.00 N ATOM 513 CA GLN A 37 -2.097 -3.348 6.105 1.00 0.00 C ATOM 514 C GLN A 37 -0.762 -3.379 5.367 1.00 0.00 C ATOM 515 O GLN A 37 0.201 -2.731 5.778 1.00 0.00 O ATOM 516 CB GLN A 37 -2.199 -4.546 7.050 1.00 0.00 C ATOM 517 CG GLN A 37 -3.250 -4.378 8.134 1.00 0.00 C ATOM 518 CD GLN A 37 -3.116 -5.406 9.241 1.00 0.00 C ATOM 519 OE1 GLN A 37 -2.658 -5.094 10.341 1.00 0.00 O ATOM 520 NE2 GLN A 37 -3.518 -6.639 8.956 1.00 0.00 N ATOM 0 H GLN A 37 -3.868 -4.119 5.287 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.148 -2.429 6.689 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.429 -5.439 6.468 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.229 -4.712 7.519 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.170 -3.378 8.560 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.242 -4.456 7.689 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.891 -6.853 8.031 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.454 -7.372 9.662 1.00 0.00 H new ATOM 529 N TYR A 38 -0.711 -4.137 4.278 1.00 0.00 N ATOM 530 CA TYR A 38 0.507 -4.254 3.485 1.00 0.00 C ATOM 531 C TYR A 38 1.008 -2.882 3.048 1.00 0.00 C ATOM 532 O TYR A 38 2.058 -2.419 3.495 1.00 0.00 O ATOM 533 CB TYR A 38 0.258 -5.133 2.257 1.00 0.00 C ATOM 534 CG TYR A 38 1.459 -5.258 1.348 1.00 0.00 C ATOM 535 CD1 TYR A 38 2.532 -6.072 1.691 1.00 0.00 C ATOM 536 CD2 TYR A 38 1.524 -4.561 0.148 1.00 0.00 C ATOM 537 CE1 TYR A 38 3.633 -6.190 0.865 1.00 0.00 C ATOM 538 CE2 TYR A 38 2.620 -4.673 -0.685 1.00 0.00 C ATOM 539 CZ TYR A 38 3.671 -5.489 -0.323 1.00 0.00 C ATOM 540 OH TYR A 38 4.766 -5.602 -1.150 1.00 0.00 O ATOM 0 H TYR A 38 -1.499 -4.680 3.924 1.00 0.00 H new ATOM 0 HA TYR A 38 1.272 -4.718 4.108 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.042 -6.127 2.587 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.576 -4.721 1.689 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.505 -6.622 2.620 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.703 -3.920 -0.139 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.459 -6.827 1.147 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.654 -4.125 -1.615 1.00 0.00 H new ATOM 0 HH TYR A 38 4.577 -5.161 -2.005 1.00 0.00 H new ATOM 550 N VAL A 39 0.248 -2.232 2.172 1.00 0.00 N ATOM 551 CA VAL A 39 0.612 -0.911 1.675 1.00 0.00 C ATOM 552 C VAL A 39 0.690 0.101 2.812 1.00 0.00 C ATOM 553 O VAL A 39 1.542 0.990 2.807 1.00 0.00 O ATOM 554 CB VAL A 39 -0.396 -0.409 0.624 1.00 0.00 C ATOM 555 CG1 VAL A 39 -0.635 -1.472 -0.437 1.00 0.00 C ATOM 556 CG2 VAL A 39 -1.702 -0.005 1.290 1.00 0.00 C ATOM 0 H VAL A 39 -0.624 -2.600 1.792 1.00 0.00 H new ATOM 0 HA VAL A 39 1.593 -1.007 1.210 1.00 0.00 H new ATOM 0 HB VAL A 39 0.023 0.470 0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.350 -1.099 -1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.306 -1.708 -0.934 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.033 -2.372 0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.403 0.347 0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.128 -0.865 1.807 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.513 0.793 2.008 1.00 0.00 H new ATOM 566 N GLU A 40 -0.204 -0.040 3.785 1.00 0.00 N ATOM 567 CA GLU A 40 -0.236 0.863 4.930 1.00 0.00 C ATOM 568 C GLU A 40 1.117 0.893 5.637 1.00 0.00 C ATOM 569 O GLU A 40 1.795 1.921 5.660 1.00 0.00 O ATOM 570 CB GLU A 40 -1.328 0.437 5.914 1.00 0.00 C ATOM 571 CG GLU A 40 -2.673 1.093 5.649 1.00 0.00 C ATOM 572 CD GLU A 40 -3.583 1.065 6.862 1.00 0.00 C ATOM 573 OE1 GLU A 40 -3.648 0.012 7.530 1.00 0.00 O ATOM 574 OE2 GLU A 40 -4.229 2.097 7.143 1.00 0.00 O ATOM 0 H GLU A 40 -0.916 -0.770 3.804 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.458 1.865 4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.445 -0.646 5.868 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.008 0.680 6.927 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.515 2.127 5.341 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.164 0.585 4.819 1.00 0.00 H new ATOM 581 N LEU A 41 1.502 -0.240 6.213 1.00 0.00 N ATOM 582 CA LEU A 41 2.773 -0.345 6.921 1.00 0.00 C ATOM 583 C LEU A 41 3.915 0.207 6.075 1.00 0.00 C ATOM 584 O LEU A 41 4.723 1.007 6.548 1.00 0.00 O ATOM 585 CB LEU A 41 3.054 -1.801 7.292 1.00 0.00 C ATOM 586 CG LEU A 41 2.549 -2.256 8.662 1.00 0.00 C ATOM 587 CD1 LEU A 41 1.118 -2.760 8.563 1.00 0.00 C ATOM 588 CD2 LEU A 41 3.458 -3.334 9.235 1.00 0.00 C ATOM 0 H LEU A 41 0.952 -1.099 6.204 1.00 0.00 H new ATOM 0 HA LEU A 41 2.703 0.248 7.833 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.607 -2.441 6.532 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.131 -1.963 7.252 1.00 0.00 H new ATOM 0 HG LEU A 41 2.565 -1.400 9.336 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.776 -3.079 9.547 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.475 -1.960 8.197 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.076 -3.603 7.873 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.083 -3.646 10.210 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.475 -4.191 8.562 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.468 -2.938 9.344 1.00 0.00 H new ATOM 600 N LEU A 42 3.977 -0.225 4.820 1.00 0.00 N ATOM 601 CA LEU A 42 5.019 0.226 3.905 1.00 0.00 C ATOM 602 C LEU A 42 5.095 1.750 3.875 1.00 0.00 C ATOM 603 O LEU A 42 6.183 2.327 3.892 1.00 0.00 O ATOM 604 CB LEU A 42 4.757 -0.310 2.497 1.00 0.00 C ATOM 605 CG LEU A 42 5.141 -1.770 2.252 1.00 0.00 C ATOM 606 CD1 LEU A 42 4.598 -2.248 0.915 1.00 0.00 C ATOM 607 CD2 LEU A 42 6.652 -1.941 2.309 1.00 0.00 C ATOM 0 H LEU A 42 3.317 -0.888 4.413 1.00 0.00 H new ATOM 0 HA LEU A 42 5.973 -0.161 4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.696 -0.192 2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.301 0.312 1.786 1.00 0.00 H new ATOM 0 HG LEU A 42 4.697 -2.379 3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.881 -3.289 0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.511 -2.163 0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.012 -1.635 0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.907 -2.986 2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.118 -1.320 1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.015 -1.640 3.292 1.00 0.00 H new ATOM 619 N ILE A 43 3.933 2.394 3.832 1.00 0.00 N ATOM 620 CA ILE A 43 3.868 3.850 3.804 1.00 0.00 C ATOM 621 C ILE A 43 4.224 4.442 5.164 1.00 0.00 C ATOM 622 O ILE A 43 4.922 5.453 5.249 1.00 0.00 O ATOM 623 CB ILE A 43 2.469 4.343 3.392 1.00 0.00 C ATOM 624 CG1 ILE A 43 2.166 3.933 1.949 1.00 0.00 C ATOM 625 CG2 ILE A 43 2.371 5.852 3.551 1.00 0.00 C ATOM 626 CD1 ILE A 43 0.688 3.928 1.620 1.00 0.00 C ATOM 0 H ILE A 43 3.025 1.931 3.816 1.00 0.00 H new ATOM 0 HA ILE A 43 4.594 4.185 3.063 1.00 0.00 H new ATOM 0 HB ILE A 43 1.729 3.880 4.045 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.679 4.615 1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.574 2.938 1.769 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.376 6.185 3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.549 6.120 4.592 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.117 6.334 2.919 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.547 3.628 0.582 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.172 3.225 2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.279 4.928 1.768 1.00 0.00 H new ATOM 638 N LYS A 44 3.740 3.807 6.225 1.00 0.00 N ATOM 639 CA LYS A 44 4.007 4.268 7.582 1.00 0.00 C ATOM 640 C LYS A 44 5.502 4.237 7.882 1.00 0.00 C ATOM 641 O LYS A 44 6.020 5.101 8.588 1.00 0.00 O ATOM 642 CB LYS A 44 3.254 3.402 8.595 1.00 0.00 C ATOM 643 CG LYS A 44 1.751 3.617 8.581 1.00 0.00 C ATOM 644 CD LYS A 44 1.111 3.157 9.879 1.00 0.00 C ATOM 645 CE LYS A 44 -0.408 3.216 9.803 1.00 0.00 C ATOM 646 NZ LYS A 44 -1.046 2.748 11.064 1.00 0.00 N ATOM 0 H LYS A 44 3.160 2.970 6.171 1.00 0.00 H new ATOM 0 HA LYS A 44 3.659 5.298 7.665 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.464 2.352 8.390 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.634 3.614 9.595 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.535 4.673 8.422 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.312 3.073 7.745 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.426 2.137 10.100 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.460 3.783 10.700 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.722 4.239 9.596 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.754 2.602 8.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.080 2.804 10.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.768 1.763 11.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.736 3.350 11.854 1.00 0.00 H new ATOM 660 N GLU A 45 6.190 3.236 7.339 1.00 0.00 N ATOM 661 CA GLU A 45 7.626 3.094 7.550 1.00 0.00 C ATOM 662 C GLU A 45 8.377 4.307 7.007 1.00 0.00 C ATOM 663 O GLU A 45 9.088 4.990 7.743 1.00 0.00 O ATOM 664 CB GLU A 45 8.139 1.820 6.876 1.00 0.00 C ATOM 665 CG GLU A 45 9.553 1.442 7.285 1.00 0.00 C ATOM 666 CD GLU A 45 9.609 0.787 8.651 1.00 0.00 C ATOM 667 OE1 GLU A 45 9.169 -0.376 8.770 1.00 0.00 O ATOM 668 OE2 GLU A 45 10.094 1.435 9.601 1.00 0.00 O ATOM 0 H GLU A 45 5.776 2.513 6.751 1.00 0.00 H new ATOM 0 HA GLU A 45 7.805 3.026 8.623 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.468 0.996 7.117 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.106 1.952 5.795 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.973 0.763 6.543 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.177 2.335 7.289 1.00 0.00 H new ATOM 675 N GLY A 46 8.215 4.567 5.713 1.00 0.00 N ATOM 676 CA GLY A 46 8.883 5.695 5.094 1.00 0.00 C ATOM 677 C GLY A 46 10.231 5.321 4.509 1.00 0.00 C ATOM 678 O GLY A 46 11.149 6.142 4.469 1.00 0.00 O ATOM 0 H GLY A 46 7.632 4.016 5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.249 6.101 4.306 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.018 6.484 5.834 1.00 0.00 H new ATOM 682 N LEU A 47 10.353 4.078 4.057 1.00 0.00 N ATOM 683 CA LEU A 47 11.599 3.595 3.472 1.00 0.00 C ATOM 684 C LEU A 47 11.447 3.371 1.971 1.00 0.00 C ATOM 685 O LEU A 47 11.933 4.162 1.164 1.00 0.00 O ATOM 686 CB LEU A 47 12.035 2.296 4.152 1.00 0.00 C ATOM 687 CG LEU A 47 13.151 1.516 3.456 1.00 0.00 C ATOM 688 CD1 LEU A 47 14.431 2.335 3.419 1.00 0.00 C ATOM 689 CD2 LEU A 47 13.387 0.185 4.156 1.00 0.00 C ATOM 0 H LEU A 47 9.604 3.386 4.084 1.00 0.00 H new ATOM 0 HA LEU A 47 12.364 4.355 3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.361 2.531 5.165 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.165 1.646 4.240 1.00 0.00 H new ATOM 0 HG LEU A 47 12.843 1.315 2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.214 1.764 2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.254 3.262 2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.744 2.567 4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.184 -0.357 3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.674 0.365 5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.472 -0.407 4.130 1.00 0.00 H new ATOM 701 N GLU A 48 10.765 2.290 1.606 1.00 0.00 N ATOM 702 CA GLU A 48 10.547 1.963 0.202 1.00 0.00 C ATOM 703 C GLU A 48 9.296 2.655 -0.330 1.00 0.00 C ATOM 704 O GLU A 48 8.174 2.206 -0.093 1.00 0.00 O ATOM 705 CB GLU A 48 10.421 0.449 0.021 1.00 0.00 C ATOM 706 CG GLU A 48 9.233 -0.154 0.749 1.00 0.00 C ATOM 707 CD GLU A 48 9.406 -1.636 1.022 1.00 0.00 C ATOM 708 OE1 GLU A 48 9.127 -2.443 0.111 1.00 0.00 O ATOM 709 OE2 GLU A 48 9.820 -1.989 2.146 1.00 0.00 O ATOM 0 H GLU A 48 10.354 1.626 2.263 1.00 0.00 H new ATOM 0 HA GLU A 48 11.407 2.319 -0.365 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.337 0.225 -1.042 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.334 -0.028 0.376 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.086 0.371 1.693 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.332 -0.001 0.155 1.00 0.00 H new ATOM 716 N THR A 49 9.497 3.754 -1.051 1.00 0.00 N ATOM 717 CA THR A 49 8.385 4.511 -1.615 1.00 0.00 C ATOM 718 C THR A 49 7.499 3.624 -2.481 1.00 0.00 C ATOM 719 O THR A 49 6.318 3.436 -2.189 1.00 0.00 O ATOM 720 CB THR A 49 8.886 5.698 -2.460 1.00 0.00 C ATOM 721 OG1 THR A 49 9.698 6.563 -1.658 1.00 0.00 O ATOM 722 CG2 THR A 49 7.717 6.482 -3.037 1.00 0.00 C ATOM 0 H THR A 49 10.418 4.140 -1.258 1.00 0.00 H new ATOM 0 HA THR A 49 7.803 4.891 -0.775 1.00 0.00 H new ATOM 0 HB THR A 49 9.481 5.304 -3.284 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.014 7.314 -2.203 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.095 7.315 -3.630 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.118 5.828 -3.671 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.100 6.865 -2.225 1.00 0.00 H new ATOM 730 N ALA A 50 8.077 3.079 -3.547 1.00 0.00 N ATOM 731 CA ALA A 50 7.338 2.208 -4.454 1.00 0.00 C ATOM 732 C ALA A 50 6.837 0.962 -3.731 1.00 0.00 C ATOM 733 O ALA A 50 7.583 0.320 -2.992 1.00 0.00 O ATOM 734 CB ALA A 50 8.210 1.820 -5.638 1.00 0.00 C ATOM 0 H ALA A 50 9.053 3.225 -3.804 1.00 0.00 H new ATOM 0 HA ALA A 50 6.470 2.756 -4.820 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.647 1.170 -6.307 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.514 2.718 -6.176 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.095 1.294 -5.281 1.00 0.00 H new ATOM 740 N ILE A 51 5.570 0.626 -3.951 1.00 0.00 N ATOM 741 CA ILE A 51 4.970 -0.543 -3.320 1.00 0.00 C ATOM 742 C ILE A 51 4.835 -1.693 -4.313 1.00 0.00 C ATOM 743 O ILE A 51 4.052 -1.620 -5.260 1.00 0.00 O ATOM 744 CB ILE A 51 3.583 -0.218 -2.736 1.00 0.00 C ATOM 745 CG1 ILE A 51 3.684 0.934 -1.735 1.00 0.00 C ATOM 746 CG2 ILE A 51 2.985 -1.451 -2.074 1.00 0.00 C ATOM 747 CD1 ILE A 51 2.349 1.361 -1.168 1.00 0.00 C ATOM 0 H ILE A 51 4.940 1.147 -4.561 1.00 0.00 H new ATOM 0 HA ILE A 51 5.635 -0.841 -2.509 1.00 0.00 H new ATOM 0 HB ILE A 51 2.926 0.089 -3.549 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.339 0.636 -0.916 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.152 1.789 -2.223 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.005 -1.205 -1.666 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.882 -2.246 -2.812 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.640 -1.785 -1.269 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.498 2.181 -0.466 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.698 1.690 -1.978 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.888 0.520 -0.651 1.00 0.00 H new ATOM 759 N SER A 52 5.602 -2.755 -4.088 1.00 0.00 N ATOM 760 CA SER A 52 5.569 -3.921 -4.962 1.00 0.00 C ATOM 761 C SER A 52 4.502 -4.912 -4.509 1.00 0.00 C ATOM 762 O SER A 52 3.777 -4.663 -3.543 1.00 0.00 O ATOM 763 CB SER A 52 6.938 -4.604 -4.988 1.00 0.00 C ATOM 764 OG SER A 52 7.107 -5.447 -3.861 1.00 0.00 O ATOM 0 H SER A 52 6.254 -2.832 -3.307 1.00 0.00 H new ATOM 0 HA SER A 52 5.320 -3.582 -5.968 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.039 -5.189 -5.902 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.725 -3.849 -5.003 1.00 0.00 H new ATOM 0 HG SER A 52 7.988 -5.874 -3.901 1.00 0.00 H new ATOM 770 N CYS A 53 4.409 -6.036 -5.212 1.00 0.00 N ATOM 771 CA CYS A 53 3.431 -7.065 -4.883 1.00 0.00 C ATOM 772 C CYS A 53 3.713 -7.666 -3.509 1.00 0.00 C ATOM 773 O CYS A 53 4.854 -7.975 -3.162 1.00 0.00 O ATOM 774 CB CYS A 53 3.440 -8.165 -5.945 1.00 0.00 C ATOM 775 SG CYS A 53 2.223 -9.489 -5.657 1.00 0.00 S ATOM 0 H CYS A 53 5.000 -6.257 -6.014 1.00 0.00 H new ATOM 0 HA CYS A 53 2.446 -6.600 -4.860 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.248 -7.716 -6.919 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.436 -8.605 -5.988 1.00 0.00 H new ATOM 0 HG CYS A 53 1.502 -9.656 -6.726 1.00 0.00 H new ATOM 780 N PRO A 54 2.651 -7.838 -2.708 1.00 0.00 N ATOM 781 CA PRO A 54 2.760 -8.404 -1.360 1.00 0.00 C ATOM 782 C PRO A 54 3.107 -9.889 -1.382 1.00 0.00 C ATOM 783 O PRO A 54 3.219 -10.525 -0.333 1.00 0.00 O ATOM 784 CB PRO A 54 1.363 -8.190 -0.772 1.00 0.00 C ATOM 785 CG PRO A 54 0.459 -8.127 -1.956 1.00 0.00 C ATOM 786 CD PRO A 54 1.263 -7.492 -3.057 1.00 0.00 C ATOM 0 HA PRO A 54 3.557 -7.934 -0.783 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.085 -9.006 -0.105 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.316 -7.271 -0.188 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.122 -9.123 -2.243 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.433 -7.540 -1.736 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.985 -7.884 -4.035 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.114 -6.413 -3.092 1.00 0.00 H new ATOM 794 N ASP A 55 3.276 -10.435 -2.581 1.00 0.00 N ATOM 795 CA ASP A 55 3.612 -11.846 -2.738 1.00 0.00 C ATOM 796 C ASP A 55 5.098 -12.020 -3.035 1.00 0.00 C ATOM 797 O ASP A 55 5.593 -11.565 -4.066 1.00 0.00 O ATOM 798 CB ASP A 55 2.779 -12.469 -3.859 1.00 0.00 C ATOM 799 CG ASP A 55 3.141 -13.918 -4.113 1.00 0.00 C ATOM 800 OD1 ASP A 55 3.564 -14.601 -3.155 1.00 0.00 O ATOM 801 OD2 ASP A 55 3.002 -14.371 -5.268 1.00 0.00 O ATOM 0 H ASP A 55 3.186 -9.923 -3.458 1.00 0.00 H new ATOM 0 HA ASP A 55 3.385 -12.355 -1.801 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.722 -12.401 -3.602 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.922 -11.896 -4.775 1.00 0.00 H new ATOM 806 N ALA A 56 5.805 -12.681 -2.124 1.00 0.00 N ATOM 807 CA ALA A 56 7.234 -12.916 -2.289 1.00 0.00 C ATOM 808 C ALA A 56 7.496 -13.995 -3.334 1.00 0.00 C ATOM 809 O ALA A 56 8.630 -14.186 -3.771 1.00 0.00 O ATOM 810 CB ALA A 56 7.862 -13.304 -0.958 1.00 0.00 C ATOM 0 H ALA A 56 5.411 -13.063 -1.264 1.00 0.00 H new ATOM 0 HA ALA A 56 7.691 -11.990 -2.638 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.929 -13.477 -1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.715 -12.499 -0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.392 -14.214 -0.586 1.00 0.00 H new ATOM 816 N ALA A 57 6.439 -14.696 -3.731 1.00 0.00 N ATOM 817 CA ALA A 57 6.556 -15.755 -4.726 1.00 0.00 C ATOM 818 C ALA A 57 5.993 -15.308 -6.072 1.00 0.00 C ATOM 819 O ALA A 57 5.582 -16.132 -6.889 1.00 0.00 O ATOM 820 CB ALA A 57 5.844 -17.011 -4.246 1.00 0.00 C ATOM 0 H ALA A 57 5.493 -14.550 -3.379 1.00 0.00 H new ATOM 0 HA ALA A 57 7.614 -15.979 -4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.939 -17.794 -4.999 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.293 -17.349 -3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.789 -16.791 -4.083 1.00 0.00 H new ATOM 826 N CYS A 58 5.977 -13.998 -6.295 1.00 0.00 N ATOM 827 CA CYS A 58 5.465 -13.441 -7.540 1.00 0.00 C ATOM 828 C CYS A 58 6.599 -13.182 -8.528 1.00 0.00 C ATOM 829 O CYS A 58 7.407 -12.269 -8.359 1.00 0.00 O ATOM 830 CB CYS A 58 4.705 -12.140 -7.267 1.00 0.00 C ATOM 831 SG CYS A 58 3.784 -11.502 -8.703 1.00 0.00 S ATOM 0 H CYS A 58 6.313 -13.303 -5.629 1.00 0.00 H new ATOM 0 HA CYS A 58 4.782 -14.168 -7.980 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.008 -12.305 -6.446 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.413 -11.380 -6.936 1.00 0.00 H new ATOM 0 HG CYS A 58 2.507 -11.607 -8.481 1.00 0.00 H new ATOM 836 N PRO A 59 6.661 -14.004 -9.586 1.00 0.00 N ATOM 837 CA PRO A 59 7.690 -13.884 -10.623 1.00 0.00 C ATOM 838 C PRO A 59 7.508 -12.636 -11.479 1.00 0.00 C ATOM 839 O PRO A 59 8.371 -12.294 -12.288 1.00 0.00 O ATOM 840 CB PRO A 59 7.492 -15.146 -11.466 1.00 0.00 C ATOM 841 CG PRO A 59 6.065 -15.519 -11.261 1.00 0.00 C ATOM 842 CD PRO A 59 5.730 -15.114 -9.853 1.00 0.00 C ATOM 0 HA PRO A 59 8.689 -13.792 -10.197 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.704 -14.956 -12.518 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.160 -15.945 -11.145 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.421 -15.009 -11.978 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.917 -16.589 -11.405 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.691 -14.797 -9.762 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.875 -15.937 -9.153 1.00 0.00 H new ATOM 850 N LYS A 60 6.380 -11.959 -11.297 1.00 0.00 N ATOM 851 CA LYS A 60 6.084 -10.747 -12.052 1.00 0.00 C ATOM 852 C LYS A 60 6.372 -9.502 -11.218 1.00 0.00 C ATOM 853 O LYS A 60 6.725 -8.454 -11.755 1.00 0.00 O ATOM 854 CB LYS A 60 4.621 -10.745 -12.501 1.00 0.00 C ATOM 855 CG LYS A 60 4.192 -9.453 -13.173 1.00 0.00 C ATOM 856 CD LYS A 60 4.889 -9.261 -14.509 1.00 0.00 C ATOM 857 CE LYS A 60 4.311 -8.080 -15.274 1.00 0.00 C ATOM 858 NZ LYS A 60 4.681 -8.120 -16.717 1.00 0.00 N ATOM 0 H LYS A 60 5.655 -12.229 -10.633 1.00 0.00 H new ATOM 0 HA LYS A 60 6.728 -10.731 -12.931 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.460 -11.574 -13.190 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.984 -10.923 -11.635 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.112 -9.461 -13.323 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.417 -8.610 -12.520 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.955 -9.103 -14.345 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.789 -10.167 -15.106 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.225 -8.081 -15.177 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.670 -7.150 -14.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.268 -7.299 -17.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.716 -8.094 -16.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.317 -8.995 -17.145 1.00 0.00 H new ATOM 872 N GLN A 61 6.220 -9.629 -9.903 1.00 0.00 N ATOM 873 CA GLN A 61 6.465 -8.514 -8.996 1.00 0.00 C ATOM 874 C GLN A 61 5.661 -7.286 -9.414 1.00 0.00 C ATOM 875 O GLN A 61 6.198 -6.183 -9.509 1.00 0.00 O ATOM 876 CB GLN A 61 7.956 -8.174 -8.963 1.00 0.00 C ATOM 877 CG GLN A 61 8.794 -9.192 -8.207 1.00 0.00 C ATOM 878 CD GLN A 61 10.035 -8.582 -7.586 1.00 0.00 C ATOM 879 OE1 GLN A 61 10.057 -8.266 -6.396 1.00 0.00 O ATOM 880 NE2 GLN A 61 11.078 -8.411 -8.391 1.00 0.00 N ATOM 0 H GLN A 61 5.929 -10.492 -9.443 1.00 0.00 H new ATOM 0 HA GLN A 61 6.145 -8.813 -7.998 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.326 -8.098 -9.986 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.087 -7.194 -8.503 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.187 -9.647 -7.424 1.00 0.00 H new ATOM 0 HG3 GLN A 61 9.088 -9.991 -8.887 1.00 0.00 H new ATOM 0 HE21 GLN A 61 11.017 -8.687 -9.371 1.00 0.00 H new ATOM 0 HE22 GLN A 61 11.940 -8.004 -8.029 1.00 0.00 H new ATOM 889 N GLY A 62 4.371 -7.486 -9.661 1.00 0.00 N ATOM 890 CA GLY A 62 3.513 -6.386 -10.065 1.00 0.00 C ATOM 891 C GLY A 62 3.365 -5.338 -8.980 1.00 0.00 C ATOM 892 O GLY A 62 2.990 -5.652 -7.851 1.00 0.00 O ATOM 0 H GLY A 62 3.904 -8.390 -9.589 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.922 -5.921 -10.962 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.529 -6.774 -10.328 1.00 0.00 H new ATOM 896 N HIS A 63 3.661 -4.088 -9.323 1.00 0.00 N ATOM 897 CA HIS A 63 3.560 -2.990 -8.369 1.00 0.00 C ATOM 898 C HIS A 63 2.113 -2.526 -8.227 1.00 0.00 C ATOM 899 O HIS A 63 1.247 -2.904 -9.018 1.00 0.00 O ATOM 900 CB HIS A 63 4.441 -1.820 -8.809 1.00 0.00 C ATOM 901 CG HIS A 63 5.829 -2.229 -9.196 1.00 0.00 C ATOM 902 ND1 HIS A 63 6.161 -2.665 -10.460 1.00 0.00 N ATOM 903 CD2 HIS A 63 6.975 -2.264 -8.475 1.00 0.00 C ATOM 904 CE1 HIS A 63 7.450 -2.953 -10.501 1.00 0.00 C ATOM 905 NE2 HIS A 63 7.967 -2.717 -9.309 1.00 0.00 N ATOM 0 H HIS A 63 3.972 -3.811 -10.254 1.00 0.00 H new ATOM 0 HA HIS A 63 3.905 -3.351 -7.400 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.970 -1.319 -9.654 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.498 -1.093 -7.998 1.00 0.00 H new ATOM 0 HD2 HIS A 63 7.088 -1.987 -7.437 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.989 -3.319 -11.362 1.00 0.00 H new ATOM 0 HE2 HIS A 63 8.945 -2.850 -9.050 1.00 0.00 H new ATOM 913 N LEU A 64 1.857 -1.706 -7.213 1.00 0.00 N ATOM 914 CA LEU A 64 0.514 -1.191 -6.967 1.00 0.00 C ATOM 915 C LEU A 64 0.401 0.267 -7.400 1.00 0.00 C ATOM 916 O LEU A 64 1.139 1.125 -6.917 1.00 0.00 O ATOM 917 CB LEU A 64 0.160 -1.323 -5.483 1.00 0.00 C ATOM 918 CG LEU A 64 -0.506 -2.634 -5.067 1.00 0.00 C ATOM 919 CD1 LEU A 64 -1.858 -2.786 -5.747 1.00 0.00 C ATOM 920 CD2 LEU A 64 0.393 -3.817 -5.393 1.00 0.00 C ATOM 0 H LEU A 64 2.561 -1.384 -6.549 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.188 -1.781 -7.557 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.073 -1.201 -4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.502 -0.500 -5.213 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.665 -2.611 -3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.317 -3.725 -5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.504 -1.956 -5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.723 -2.786 -6.829 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.098 -4.742 -5.090 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.585 -3.843 -6.466 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.337 -3.715 -4.858 1.00 0.00 H new ATOM 932 N GLN A 65 -0.527 0.538 -8.311 1.00 0.00 N ATOM 933 CA GLN A 65 -0.737 1.892 -8.809 1.00 0.00 C ATOM 934 C GLN A 65 -1.347 2.780 -7.730 1.00 0.00 C ATOM 935 O GLN A 65 -2.057 2.299 -6.847 1.00 0.00 O ATOM 936 CB GLN A 65 -1.642 1.871 -10.042 1.00 0.00 C ATOM 937 CG GLN A 65 -1.031 1.152 -11.233 1.00 0.00 C ATOM 938 CD GLN A 65 -2.042 0.866 -12.325 1.00 0.00 C ATOM 939 OE1 GLN A 65 -2.943 1.667 -12.578 1.00 0.00 O ATOM 940 NE2 GLN A 65 -1.901 -0.281 -12.979 1.00 0.00 N ATOM 0 H GLN A 65 -1.146 -0.162 -8.720 1.00 0.00 H new ATOM 0 HA GLN A 65 0.233 2.304 -9.087 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.585 1.390 -9.782 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -1.876 2.896 -10.328 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.222 1.758 -11.642 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.589 0.214 -10.898 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.140 -0.916 -12.737 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.554 -0.527 -13.723 1.00 0.00 H new ATOM 949 N GLU A 66 -1.066 4.077 -7.807 1.00 0.00 N ATOM 950 CA GLU A 66 -1.588 5.030 -6.836 1.00 0.00 C ATOM 951 C GLU A 66 -3.098 4.878 -6.680 1.00 0.00 C ATOM 952 O GLU A 66 -3.607 4.729 -5.571 1.00 0.00 O ATOM 953 CB GLU A 66 -1.250 6.461 -7.260 1.00 0.00 C ATOM 954 CG GLU A 66 -1.699 7.514 -6.261 1.00 0.00 C ATOM 955 CD GLU A 66 -1.104 8.880 -6.545 1.00 0.00 C ATOM 956 OE1 GLU A 66 0.100 8.946 -6.869 1.00 0.00 O ATOM 957 OE2 GLU A 66 -1.842 9.882 -6.442 1.00 0.00 O ATOM 0 H GLU A 66 -0.480 4.491 -8.532 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.119 4.823 -5.874 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.173 6.544 -7.403 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.716 6.665 -8.224 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.787 7.585 -6.278 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.416 7.200 -5.256 1.00 0.00 H new ATOM 964 N ASN A 67 -3.809 4.915 -7.803 1.00 0.00 N ATOM 965 CA ASN A 67 -5.262 4.783 -7.792 1.00 0.00 C ATOM 966 C ASN A 67 -5.709 3.788 -6.726 1.00 0.00 C ATOM 967 O ASN A 67 -6.609 4.074 -5.936 1.00 0.00 O ATOM 968 CB ASN A 67 -5.764 4.334 -9.166 1.00 0.00 C ATOM 969 CG ASN A 67 -4.799 3.386 -9.853 1.00 0.00 C ATOM 970 OD1 ASN A 67 -4.601 2.255 -9.407 1.00 0.00 O ATOM 971 ND2 ASN A 67 -4.195 3.843 -10.943 1.00 0.00 N ATOM 0 H ASN A 67 -3.403 5.035 -8.731 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.689 5.758 -7.557 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.732 3.845 -9.054 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.920 5.209 -9.797 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.536 3.250 -11.448 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.390 4.787 -11.276 1.00 0.00 H new ATOM 978 N GLU A 68 -5.074 2.621 -6.708 1.00 0.00 N ATOM 979 CA GLU A 68 -5.407 1.583 -5.739 1.00 0.00 C ATOM 980 C GLU A 68 -5.260 2.106 -4.312 1.00 0.00 C ATOM 981 O GLU A 68 -6.235 2.188 -3.565 1.00 0.00 O ATOM 982 CB GLU A 68 -4.514 0.359 -5.941 1.00 0.00 C ATOM 983 CG GLU A 68 -4.763 -0.367 -7.252 1.00 0.00 C ATOM 984 CD GLU A 68 -6.047 -1.174 -7.237 1.00 0.00 C ATOM 985 OE1 GLU A 68 -7.078 -0.640 -6.778 1.00 0.00 O ATOM 986 OE2 GLU A 68 -6.021 -2.340 -7.684 1.00 0.00 O ATOM 0 H GLU A 68 -4.325 2.370 -7.354 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.446 1.293 -5.897 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.470 0.671 -5.901 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.671 -0.335 -5.116 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.804 0.360 -8.063 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.924 -1.030 -7.461 1.00 0.00 H new ATOM 993 N ILE A 69 -4.032 2.456 -3.941 1.00 0.00 N ATOM 994 CA ILE A 69 -3.757 2.970 -2.606 1.00 0.00 C ATOM 995 C ILE A 69 -4.748 4.063 -2.221 1.00 0.00 C ATOM 996 O ILE A 69 -5.283 4.066 -1.112 1.00 0.00 O ATOM 997 CB ILE A 69 -2.325 3.531 -2.503 1.00 0.00 C ATOM 998 CG1 ILE A 69 -1.302 2.441 -2.827 1.00 0.00 C ATOM 999 CG2 ILE A 69 -2.079 4.103 -1.115 1.00 0.00 C ATOM 1000 CD1 ILE A 69 0.057 2.983 -3.207 1.00 0.00 C ATOM 0 H ILE A 69 -3.213 2.393 -4.546 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.861 2.131 -1.918 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.212 4.335 -3.230 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.194 1.786 -1.962 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.682 1.829 -3.645 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.064 4.495 -1.058 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.790 4.906 -0.921 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.207 3.318 -0.370 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.732 2.155 -3.423 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.037 3.615 -4.090 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.458 3.571 -2.382 1.00 0.00 H new ATOM 1012 N GLU A 70 -4.990 4.987 -3.146 1.00 0.00 N ATOM 1013 CA GLU A 70 -5.920 6.084 -2.903 1.00 0.00 C ATOM 1014 C GLU A 70 -7.090 5.625 -2.037 1.00 0.00 C ATOM 1015 O GLU A 70 -7.244 6.068 -0.898 1.00 0.00 O ATOM 1016 CB GLU A 70 -6.441 6.643 -4.228 1.00 0.00 C ATOM 1017 CG GLU A 70 -6.854 8.104 -4.152 1.00 0.00 C ATOM 1018 CD GLU A 70 -8.181 8.298 -3.446 1.00 0.00 C ATOM 1019 OE1 GLU A 70 -9.106 7.495 -3.690 1.00 0.00 O ATOM 1020 OE2 GLU A 70 -8.296 9.253 -2.649 1.00 0.00 O ATOM 0 H GLU A 70 -4.556 4.998 -4.069 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.383 6.870 -2.371 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.668 6.532 -4.989 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.295 6.049 -4.552 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.082 8.669 -3.629 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.920 8.512 -5.161 1.00 0.00 H new ATOM 1027 N CYS A 71 -7.910 4.735 -2.585 1.00 0.00 N ATOM 1028 CA CYS A 71 -9.066 4.217 -1.863 1.00 0.00 C ATOM 1029 C CYS A 71 -8.637 3.226 -0.786 1.00 0.00 C ATOM 1030 O CYS A 71 -9.150 3.250 0.332 1.00 0.00 O ATOM 1031 CB CYS A 71 -10.038 3.543 -2.834 1.00 0.00 C ATOM 1032 SG CYS A 71 -11.214 4.678 -3.607 1.00 0.00 S ATOM 0 H CYS A 71 -7.796 4.358 -3.526 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.567 5.056 -1.380 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -9.466 3.042 -3.615 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -10.592 2.771 -2.300 1.00 0.00 H new ATOM 0 HG CYS A 71 -10.659 5.844 -3.755 1.00 0.00 H new ATOM 1038 N MET A 72 -7.692 2.357 -1.131 1.00 0.00 N ATOM 1039 CA MET A 72 -7.195 1.358 -0.193 1.00 0.00 C ATOM 1040 C MET A 72 -7.086 1.939 1.213 1.00 0.00 C ATOM 1041 O MET A 72 -7.551 1.338 2.181 1.00 0.00 O ATOM 1042 CB MET A 72 -5.831 0.835 -0.648 1.00 0.00 C ATOM 1043 CG MET A 72 -5.417 -0.459 0.033 1.00 0.00 C ATOM 1044 SD MET A 72 -6.106 -1.918 -0.772 1.00 0.00 S ATOM 1045 CE MET A 72 -5.031 -2.057 -2.198 1.00 0.00 C ATOM 0 H MET A 72 -7.256 2.325 -2.052 1.00 0.00 H new ATOM 0 HA MET A 72 -7.905 0.531 -0.171 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.853 0.677 -1.726 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.076 1.596 -0.453 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.329 -0.531 0.038 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.739 -0.437 1.074 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.285 -2.956 -2.759 1.00 0.00 H new ATOM 0 HE2 MET A 72 -5.159 -1.183 -2.836 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.994 -2.117 -1.867 1.00 0.00 H new ATOM 1055 N VAL A 73 -6.469 3.112 1.318 1.00 0.00 N ATOM 1056 CA VAL A 73 -6.301 3.774 2.605 1.00 0.00 C ATOM 1057 C VAL A 73 -7.044 5.105 2.641 1.00 0.00 C ATOM 1058 O VAL A 73 -7.583 5.553 1.630 1.00 0.00 O ATOM 1059 CB VAL A 73 -4.814 4.022 2.920 1.00 0.00 C ATOM 1060 CG1 VAL A 73 -4.007 2.747 2.723 1.00 0.00 C ATOM 1061 CG2 VAL A 73 -4.266 5.147 2.054 1.00 0.00 C ATOM 0 H VAL A 73 -6.077 3.623 0.527 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.719 3.107 3.359 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.727 4.322 3.964 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.959 2.941 2.950 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.385 1.971 3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.099 2.414 1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.214 5.309 2.290 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.365 4.878 1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.826 6.062 2.248 1.00 0.00 H new ATOM 1071 N ALA A 74 -7.069 5.732 3.812 1.00 0.00 N ATOM 1072 CA ALA A 74 -7.745 7.014 3.979 1.00 0.00 C ATOM 1073 C ALA A 74 -6.802 8.173 3.680 1.00 0.00 C ATOM 1074 O ALA A 74 -5.626 7.969 3.379 1.00 0.00 O ATOM 1075 CB ALA A 74 -8.305 7.135 5.388 1.00 0.00 C ATOM 0 H ALA A 74 -6.629 5.374 4.660 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.570 7.059 3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.807 8.096 5.499 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.019 6.331 5.566 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.492 7.065 6.110 1.00 0.00 H new ATOM 1081 N ALA A 75 -7.325 9.392 3.765 1.00 0.00 N ATOM 1082 CA ALA A 75 -6.529 10.585 3.504 1.00 0.00 C ATOM 1083 C ALA A 75 -5.343 10.673 4.458 1.00 0.00 C ATOM 1084 O ALA A 75 -4.208 10.879 4.033 1.00 0.00 O ATOM 1085 CB ALA A 75 -7.394 11.832 3.619 1.00 0.00 C ATOM 0 H ALA A 75 -8.297 9.579 4.013 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.141 10.517 2.488 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.787 12.715 3.422 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.206 11.780 2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.810 11.895 4.625 1.00 0.00 H new ATOM 1091 N GLU A 76 -5.615 10.516 5.751 1.00 0.00 N ATOM 1092 CA GLU A 76 -4.569 10.579 6.764 1.00 0.00 C ATOM 1093 C GLU A 76 -3.354 9.759 6.343 1.00 0.00 C ATOM 1094 O GLU A 76 -2.212 10.179 6.534 1.00 0.00 O ATOM 1095 CB GLU A 76 -5.099 10.073 8.108 1.00 0.00 C ATOM 1096 CG GLU A 76 -5.633 8.652 8.056 1.00 0.00 C ATOM 1097 CD GLU A 76 -6.708 8.393 9.093 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -7.887 8.698 8.814 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -6.372 7.888 10.184 1.00 0.00 O ATOM 0 H GLU A 76 -6.550 10.344 6.120 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.264 11.620 6.870 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.299 10.125 8.847 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.892 10.738 8.450 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.037 8.456 7.063 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.811 7.953 8.209 1.00 0.00 H new ATOM 1106 N ILE A 77 -3.608 8.587 5.771 1.00 0.00 N ATOM 1107 CA ILE A 77 -2.534 7.708 5.323 1.00 0.00 C ATOM 1108 C ILE A 77 -1.995 8.147 3.967 1.00 0.00 C ATOM 1109 O ILE A 77 -0.830 8.525 3.843 1.00 0.00 O ATOM 1110 CB ILE A 77 -3.008 6.246 5.225 1.00 0.00 C ATOM 1111 CG1 ILE A 77 -3.508 5.757 6.586 1.00 0.00 C ATOM 1112 CG2 ILE A 77 -1.882 5.357 4.718 1.00 0.00 C ATOM 1113 CD1 ILE A 77 -2.417 5.650 7.629 1.00 0.00 C ATOM 0 H ILE A 77 -4.547 8.224 5.607 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.740 7.775 6.066 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.834 6.194 4.515 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.279 6.438 6.947 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.978 4.781 6.462 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.232 4.327 4.654 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.568 5.695 3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.038 5.411 5.406 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.844 5.298 8.568 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.657 4.946 7.290 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.963 6.629 7.782 1.00 0.00 H new ATOM 1125 N MET A 78 -2.850 8.095 2.950 1.00 0.00 N ATOM 1126 CA MET A 78 -2.459 8.490 1.602 1.00 0.00 C ATOM 1127 C MET A 78 -1.461 9.643 1.642 1.00 0.00 C ATOM 1128 O MET A 78 -0.445 9.619 0.948 1.00 0.00 O ATOM 1129 CB MET A 78 -3.690 8.896 0.789 1.00 0.00 C ATOM 1130 CG MET A 78 -3.431 8.979 -0.706 1.00 0.00 C ATOM 1131 SD MET A 78 -2.958 7.392 -1.419 1.00 0.00 S ATOM 1132 CE MET A 78 -1.860 7.924 -2.731 1.00 0.00 C ATOM 0 H MET A 78 -3.818 7.783 3.034 1.00 0.00 H new ATOM 0 HA MET A 78 -1.982 7.635 1.124 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.489 8.177 0.972 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.045 9.864 1.142 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.328 9.345 -1.206 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.642 9.707 -0.894 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.295 7.069 -3.102 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.446 8.353 -3.544 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.170 8.675 -2.346 1.00 0.00 H new ATOM 1142 N GLN A 79 -1.757 10.650 2.457 1.00 0.00 N ATOM 1143 CA GLN A 79 -0.885 11.811 2.585 1.00 0.00 C ATOM 1144 C GLN A 79 0.570 11.384 2.740 1.00 0.00 C ATOM 1145 O GLN A 79 1.449 11.869 2.027 1.00 0.00 O ATOM 1146 CB GLN A 79 -1.309 12.665 3.782 1.00 0.00 C ATOM 1147 CG GLN A 79 -0.824 14.104 3.705 1.00 0.00 C ATOM 1148 CD GLN A 79 -1.524 15.009 4.699 1.00 0.00 C ATOM 1149 OE1 GLN A 79 -1.124 15.100 5.861 1.00 0.00 O ATOM 1150 NE2 GLN A 79 -2.575 15.684 4.248 1.00 0.00 N ATOM 0 H GLN A 79 -2.594 10.685 3.039 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.976 12.404 1.675 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.397 12.660 3.854 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.927 12.210 4.696 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.250 14.132 3.888 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.986 14.484 2.696 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.871 15.578 3.278 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.086 16.308 4.872 1.00 0.00 H new ATOM 1159 N ARG A 80 0.819 10.474 3.676 1.00 0.00 N ATOM 1160 CA ARG A 80 2.168 9.983 3.925 1.00 0.00 C ATOM 1161 C ARG A 80 2.826 9.518 2.629 1.00 0.00 C ATOM 1162 O ARG A 80 3.939 9.932 2.303 1.00 0.00 O ATOM 1163 CB ARG A 80 2.137 8.834 4.935 1.00 0.00 C ATOM 1164 CG ARG A 80 1.770 9.271 6.344 1.00 0.00 C ATOM 1165 CD ARG A 80 1.438 8.080 7.228 1.00 0.00 C ATOM 1166 NE ARG A 80 1.641 8.376 8.644 1.00 0.00 N ATOM 1167 CZ ARG A 80 0.754 9.018 9.395 1.00 0.00 C ATOM 1168 NH1 ARG A 80 -0.391 9.431 8.868 1.00 0.00 N ATOM 1169 NH2 ARG A 80 1.010 9.250 10.676 1.00 0.00 N ATOM 0 H ARG A 80 0.103 10.062 4.275 1.00 0.00 H new ATOM 0 HA ARG A 80 2.756 10.804 4.336 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.421 8.085 4.598 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.115 8.353 4.956 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.598 9.829 6.780 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.915 9.946 6.306 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.402 7.785 7.064 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.060 7.232 6.942 1.00 0.00 H new ATOM 0 HE ARG A 80 2.512 8.073 9.080 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.592 9.256 7.883 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -1.071 9.924 9.447 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.889 8.935 11.085 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.327 9.743 11.251 1.00 0.00 H new ATOM 1183 N TYR A 81 2.131 8.656 1.897 1.00 0.00 N ATOM 1184 CA TYR A 81 2.649 8.131 0.638 1.00 0.00 C ATOM 1185 C TYR A 81 3.133 9.262 -0.264 1.00 0.00 C ATOM 1186 O TYR A 81 4.287 9.280 -0.692 1.00 0.00 O ATOM 1187 CB TYR A 81 1.572 7.316 -0.080 1.00 0.00 C ATOM 1188 CG TYR A 81 2.061 6.649 -1.346 1.00 0.00 C ATOM 1189 CD1 TYR A 81 3.070 5.694 -1.305 1.00 0.00 C ATOM 1190 CD2 TYR A 81 1.516 6.973 -2.582 1.00 0.00 C ATOM 1191 CE1 TYR A 81 3.520 5.082 -2.460 1.00 0.00 C ATOM 1192 CE2 TYR A 81 1.959 6.365 -3.740 1.00 0.00 C ATOM 1193 CZ TYR A 81 2.962 5.421 -3.674 1.00 0.00 C ATOM 1194 OH TYR A 81 3.408 4.815 -4.826 1.00 0.00 O ATOM 0 H TYR A 81 1.208 8.305 2.153 1.00 0.00 H new ATOM 0 HA TYR A 81 3.495 7.482 0.864 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.192 6.553 0.599 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.735 7.970 -0.324 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.509 5.426 -0.356 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.732 7.714 -2.638 1.00 0.00 H new ATOM 0 HE1 TYR A 81 4.305 4.342 -2.411 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.522 6.627 -4.692 1.00 0.00 H new ATOM 0 HH TYR A 81 2.910 5.166 -5.594 1.00 0.00 H new ATOM 1204 N LYS A 82 2.242 10.205 -0.551 1.00 0.00 N ATOM 1205 CA LYS A 82 2.575 11.341 -1.401 1.00 0.00 C ATOM 1206 C LYS A 82 3.902 11.964 -0.980 1.00 0.00 C ATOM 1207 O LYS A 82 4.746 12.282 -1.819 1.00 0.00 O ATOM 1208 CB LYS A 82 1.464 12.393 -1.341 1.00 0.00 C ATOM 1209 CG LYS A 82 0.209 11.993 -2.096 1.00 0.00 C ATOM 1210 CD LYS A 82 -0.631 13.205 -2.462 1.00 0.00 C ATOM 1211 CE LYS A 82 -1.616 13.556 -1.358 1.00 0.00 C ATOM 1212 NZ LYS A 82 -1.017 14.472 -0.350 1.00 0.00 N ATOM 0 H LYS A 82 1.282 10.204 -0.206 1.00 0.00 H new ATOM 0 HA LYS A 82 2.671 10.981 -2.425 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.207 12.579 -0.298 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.840 13.331 -1.749 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.485 11.453 -3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.382 11.310 -1.486 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.022 14.057 -2.653 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.174 13.007 -3.386 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.499 14.024 -1.794 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.950 12.643 -0.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.366 14.222 0.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.019 14.383 -0.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.285 15.453 -0.570 1.00 0.00 H new ATOM 1226 N LYS A 83 4.082 12.137 0.326 1.00 0.00 N ATOM 1227 CA LYS A 83 5.307 12.719 0.859 1.00 0.00 C ATOM 1228 C LYS A 83 6.530 11.933 0.397 1.00 0.00 C ATOM 1229 O LYS A 83 7.535 12.515 -0.016 1.00 0.00 O ATOM 1230 CB LYS A 83 5.257 12.751 2.390 1.00 0.00 C ATOM 1231 CG LYS A 83 6.104 13.853 3.003 1.00 0.00 C ATOM 1232 CD LYS A 83 5.431 15.209 2.875 1.00 0.00 C ATOM 1233 CE LYS A 83 6.329 16.327 3.384 1.00 0.00 C ATOM 1234 NZ LYS A 83 5.871 17.663 2.913 1.00 0.00 N ATOM 0 H LYS A 83 3.394 11.882 1.034 1.00 0.00 H new ATOM 0 HA LYS A 83 5.389 13.738 0.482 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.223 12.879 2.709 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.593 11.789 2.776 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.284 13.633 4.055 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.077 13.881 2.513 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.176 15.393 1.831 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.497 15.207 3.436 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.346 16.312 4.474 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.351 16.154 3.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.508 18.398 3.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.879 17.686 1.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.905 17.839 3.256 1.00 0.00 H new ATOM 1248 N LEU A 84 6.439 10.610 0.467 1.00 0.00 N ATOM 1249 CA LEU A 84 7.537 9.744 0.053 1.00 0.00 C ATOM 1250 C LEU A 84 7.935 10.022 -1.393 1.00 0.00 C ATOM 1251 O LEU A 84 9.119 10.043 -1.726 1.00 0.00 O ATOM 1252 CB LEU A 84 7.141 8.275 0.211 1.00 0.00 C ATOM 1253 CG LEU A 84 7.448 7.639 1.568 1.00 0.00 C ATOM 1254 CD1 LEU A 84 6.638 6.366 1.756 1.00 0.00 C ATOM 1255 CD2 LEU A 84 8.936 7.351 1.697 1.00 0.00 C ATOM 0 H LEU A 84 5.616 10.113 0.807 1.00 0.00 H new ATOM 0 HA LEU A 84 8.394 9.954 0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.071 8.186 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.649 7.697 -0.562 1.00 0.00 H new ATOM 0 HG LEU A 84 7.166 8.343 2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.869 5.927 2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.575 6.601 1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.888 5.656 0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.136 6.899 2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.244 6.666 0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.496 8.282 1.608 1.00 0.00 H new ATOM 1267 N GLN A 85 6.938 10.238 -2.244 1.00 0.00 N ATOM 1268 CA GLN A 85 7.186 10.518 -3.654 1.00 0.00 C ATOM 1269 C GLN A 85 7.930 11.838 -3.825 1.00 0.00 C ATOM 1270 O GLN A 85 8.973 11.894 -4.476 1.00 0.00 O ATOM 1271 CB GLN A 85 5.866 10.558 -4.427 1.00 0.00 C ATOM 1272 CG GLN A 85 5.446 9.207 -4.984 1.00 0.00 C ATOM 1273 CD GLN A 85 6.150 8.866 -6.281 1.00 0.00 C ATOM 1274 OE1 GLN A 85 6.122 9.640 -7.239 1.00 0.00 O ATOM 1275 NE2 GLN A 85 6.788 7.702 -6.321 1.00 0.00 N ATOM 0 H GLN A 85 5.952 10.225 -1.983 1.00 0.00 H new ATOM 0 HA GLN A 85 7.809 9.718 -4.053 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.081 10.931 -3.769 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.957 11.268 -5.249 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.657 8.433 -4.246 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.369 9.205 -5.149 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.786 7.091 -5.504 1.00 0.00 H new ATOM 0 HE22 GLN A 85 7.280 7.419 -7.168 1.00 0.00 H new ATOM 1284 N PHE A 86 7.386 12.898 -3.236 1.00 0.00 N ATOM 1285 CA PHE A 86 7.998 14.220 -3.325 1.00 0.00 C ATOM 1286 C PHE A 86 9.511 14.130 -3.153 1.00 0.00 C ATOM 1287 O PHE A 86 10.271 14.616 -3.990 1.00 0.00 O ATOM 1288 CB PHE A 86 7.407 15.151 -2.264 1.00 0.00 C ATOM 1289 CG PHE A 86 7.739 16.599 -2.486 1.00 0.00 C ATOM 1290 CD1 PHE A 86 7.255 17.272 -3.596 1.00 0.00 C ATOM 1291 CD2 PHE A 86 8.536 17.285 -1.584 1.00 0.00 C ATOM 1292 CE1 PHE A 86 7.560 18.605 -3.802 1.00 0.00 C ATOM 1293 CE2 PHE A 86 8.842 18.619 -1.785 1.00 0.00 C ATOM 1294 CZ PHE A 86 8.355 19.278 -2.896 1.00 0.00 C ATOM 0 H PHE A 86 6.523 12.868 -2.692 1.00 0.00 H new ATOM 0 HA PHE A 86 7.785 14.626 -4.314 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.324 15.033 -2.251 1.00 0.00 H new ATOM 0 HB3 PHE A 86 7.772 14.849 -1.283 1.00 0.00 H new ATOM 0 HD1 PHE A 86 6.633 16.750 -4.308 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.922 16.773 -0.715 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.177 19.119 -4.671 1.00 0.00 H new ATOM 0 HE2 PHE A 86 9.461 19.145 -1.073 1.00 0.00 H new ATOM 0 HZ PHE A 86 8.596 20.319 -3.056 1.00 0.00 H new