USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=24 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 49 THR OG1 : rot 150:sc= 0.0586 USER MOD Set 1.2: A 85 GLN : amide:sc= 0.0616 X(o=0.12,f=0.1) USER MOD Set 2.1: A 26 CYS SG : rot 99:sc= 0.613 USER MOD Set 2.2: A 28 CYS SG : rot 49:sc= 1.84 USER MOD Set 2.3: A 53 CYS SG : rot 133:sc= -1.68 USER MOD Set 2.4: A 58 CYS SG : rot 89:sc= 0.371 USER MOD Set 3.1: A 8 CYS SG : rot -160:sc= -0.142 USER MOD Set 3.2: A 11 CYS SG : rot -127:sc= 0.269 USER MOD Set 3.3: A 15 TYR OH : rot 30:sc= 0.888 USER MOD Set 3.4: A 31 CYS SG : rot -49:sc= 0.399 USER MOD Set 3.5: A 34 CYS SG : rot 76:sc= 1.39 USER MOD Single : A 6 SER OG : rot -36:sc= -1.19 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0825 K(o=-0.083,f=-1.5!) USER MOD Single : A 20 MET CE :methyl -160:sc= -0.929 (180deg=-1.39) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 25 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.028) USER MOD Single : A 27 GLN : amide:sc= -1.5 K(o=-1.5,f=-0.5) USER MOD Single : A 32 THR OG1 : rot 77:sc= 1.14 USER MOD Single : A 36 LYS NZ :NH3+ -153:sc= -0.0585 (180deg=-0.946) USER MOD Single : A 37 GLN : amide:sc=-0.00544 K(o=-0.0054,f=-0.75) USER MOD Single : A 38 TYR OH : rot -159:sc= 0.572 USER MOD Single : A 44 LYS NZ :NH3+ -123:sc= -0.114 (180deg=-0.525) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0364 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= -2.48! X(o=-2.5!,f=-2.9) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 67 ASN : amide:sc= -0.251 X(o=-0.25,f=-0.042) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 177:sc= -2.13 (180deg=-2.18) USER MOD Single : A 78 MET CE :methyl -172:sc= -0.874 (180deg=-1.24) USER MOD Single : A 79 GLN : amide:sc=-0.00158 K(o=-0.0016,f=-1.3) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -169:sc= -0.887 (180deg=-1.03) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 -12.848 -16.347 -3.041 1.00 0.00 N ATOM 49 CA SER A 6 -11.712 -16.370 -3.955 1.00 0.00 C ATOM 50 C SER A 6 -10.458 -16.876 -3.248 1.00 0.00 C ATOM 51 O SER A 6 -9.499 -17.302 -3.891 1.00 0.00 O ATOM 52 CB SER A 6 -11.461 -14.974 -4.526 1.00 0.00 C ATOM 53 OG SER A 6 -10.685 -15.039 -5.710 1.00 0.00 O ATOM 0 HA SER A 6 -11.948 -17.051 -4.773 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.413 -14.488 -4.738 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.948 -14.361 -3.785 1.00 0.00 H new ATOM 0 HG SER A 6 -10.028 -15.762 -5.631 1.00 0.00 H new ATOM 59 N GLY A 7 -10.472 -16.823 -1.920 1.00 0.00 N ATOM 60 CA GLY A 7 -9.331 -17.279 -1.147 1.00 0.00 C ATOM 61 C GLY A 7 -8.172 -16.302 -1.194 1.00 0.00 C ATOM 62 O GLY A 7 -8.013 -15.563 -2.165 1.00 0.00 O ATOM 0 H GLY A 7 -11.253 -16.472 -1.365 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.634 -17.429 -0.111 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.002 -18.247 -1.526 1.00 0.00 H new ATOM 66 N CYS A 8 -7.362 -16.298 -0.141 1.00 0.00 N ATOM 67 CA CYS A 8 -6.213 -15.403 -0.065 1.00 0.00 C ATOM 68 C CYS A 8 -4.909 -16.195 -0.029 1.00 0.00 C ATOM 69 O CYS A 8 -4.913 -17.413 0.152 1.00 0.00 O ATOM 70 CB CYS A 8 -6.315 -14.513 1.175 1.00 0.00 C ATOM 71 SG CYS A 8 -5.203 -13.071 1.149 1.00 0.00 S ATOM 0 H CYS A 8 -7.480 -16.904 0.671 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.213 -14.775 -0.956 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.343 -14.164 1.275 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.095 -15.112 2.058 1.00 0.00 H new ATOM 0 HG CYS A 8 -5.043 -12.624 2.359 1.00 0.00 H new ATOM 76 N LYS A 9 -3.793 -15.495 -0.203 1.00 0.00 N ATOM 77 CA LYS A 9 -2.480 -16.130 -0.189 1.00 0.00 C ATOM 78 C LYS A 9 -1.755 -15.850 1.123 1.00 0.00 C ATOM 79 O LYS A 9 -1.172 -16.753 1.726 1.00 0.00 O ATOM 80 CB LYS A 9 -1.639 -15.632 -1.366 1.00 0.00 C ATOM 81 CG LYS A 9 -2.123 -16.132 -2.716 1.00 0.00 C ATOM 82 CD LYS A 9 -1.440 -15.403 -3.860 1.00 0.00 C ATOM 83 CE LYS A 9 -1.932 -15.899 -5.210 1.00 0.00 C ATOM 84 NZ LYS A 9 -3.208 -15.243 -5.610 1.00 0.00 N ATOM 0 H LYS A 9 -3.772 -14.487 -0.356 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.622 -17.207 -0.282 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.644 -14.542 -1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.605 -15.946 -1.221 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.930 -17.202 -2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.202 -15.996 -2.790 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.627 -14.333 -3.774 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.361 -15.544 -3.790 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.172 -15.706 -5.967 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.076 -16.979 -5.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.511 -15.608 -6.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.941 -15.448 -4.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.065 -14.215 -5.673 1.00 0.00 H new ATOM 98 N LEU A 10 -1.793 -14.597 1.560 1.00 0.00 N ATOM 99 CA LEU A 10 -1.140 -14.198 2.803 1.00 0.00 C ATOM 100 C LEU A 10 -1.830 -14.832 4.007 1.00 0.00 C ATOM 101 O LEU A 10 -1.291 -15.745 4.634 1.00 0.00 O ATOM 102 CB LEU A 10 -1.146 -12.675 2.940 1.00 0.00 C ATOM 103 CG LEU A 10 -0.595 -11.892 1.748 1.00 0.00 C ATOM 104 CD1 LEU A 10 -1.043 -10.440 1.810 1.00 0.00 C ATOM 105 CD2 LEU A 10 0.924 -11.982 1.708 1.00 0.00 C ATOM 0 H LEU A 10 -2.269 -13.838 1.072 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.108 -14.549 2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.171 -12.350 3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.567 -12.407 3.824 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.990 -12.334 0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.641 -9.898 0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.132 -10.394 1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.677 -9.985 2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.299 -11.419 0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.337 -11.566 2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.224 -13.026 1.615 1.00 0.00 H new ATOM 117 N CYS A 11 -3.024 -14.343 4.324 1.00 0.00 N ATOM 118 CA CYS A 11 -3.789 -14.862 5.452 1.00 0.00 C ATOM 119 C CYS A 11 -4.391 -16.223 5.120 1.00 0.00 C ATOM 120 O CYS A 11 -4.704 -17.011 6.014 1.00 0.00 O ATOM 121 CB CYS A 11 -4.897 -13.881 5.837 1.00 0.00 C ATOM 122 SG CYS A 11 -6.206 -13.708 4.580 1.00 0.00 S ATOM 0 H CYS A 11 -3.483 -13.587 3.815 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.110 -14.982 6.296 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.348 -14.208 6.774 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.454 -12.903 6.022 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.372 -12.450 4.297 1.00 0.00 H new ATOM 127 N LEU A 12 -4.551 -16.495 3.829 1.00 0.00 N ATOM 128 CA LEU A 12 -5.116 -17.763 3.378 1.00 0.00 C ATOM 129 C LEU A 12 -6.499 -17.987 3.980 1.00 0.00 C ATOM 130 O LEU A 12 -6.845 -19.101 4.369 1.00 0.00 O ATOM 131 CB LEU A 12 -4.190 -18.920 3.756 1.00 0.00 C ATOM 132 CG LEU A 12 -2.731 -18.784 3.313 1.00 0.00 C ATOM 133 CD1 LEU A 12 -1.814 -19.540 4.260 1.00 0.00 C ATOM 134 CD2 LEU A 12 -2.559 -19.285 1.887 1.00 0.00 C ATOM 0 H LEU A 12 -4.298 -15.855 3.076 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.214 -17.723 2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.211 -19.037 4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.595 -19.838 3.329 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.458 -17.729 3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.781 -19.432 3.930 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.917 -19.135 5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.085 -20.596 4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.516 -19.181 1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.849 -20.334 1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.188 -18.699 1.217 1.00 0.00 H new ATOM 146 N GLY A 13 -7.288 -16.918 4.052 1.00 0.00 N ATOM 147 CA GLY A 13 -8.626 -17.020 4.606 1.00 0.00 C ATOM 148 C GLY A 13 -9.701 -16.965 3.538 1.00 0.00 C ATOM 149 O GLY A 13 -9.405 -16.750 2.363 1.00 0.00 O ATOM 0 H GLY A 13 -7.024 -15.984 3.737 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.716 -17.954 5.160 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.784 -16.210 5.318 1.00 0.00 H new ATOM 153 N GLU A 14 -10.950 -17.163 3.947 1.00 0.00 N ATOM 154 CA GLU A 14 -12.071 -17.137 3.016 1.00 0.00 C ATOM 155 C GLU A 14 -12.762 -15.777 3.032 1.00 0.00 C ATOM 156 O GLU A 14 -13.179 -15.292 4.085 1.00 0.00 O ATOM 157 CB GLU A 14 -13.078 -18.236 3.364 1.00 0.00 C ATOM 158 CG GLU A 14 -12.759 -19.577 2.725 1.00 0.00 C ATOM 159 CD GLU A 14 -13.808 -20.631 3.028 1.00 0.00 C ATOM 160 OE1 GLU A 14 -15.011 -20.332 2.873 1.00 0.00 O ATOM 161 OE2 GLU A 14 -13.426 -21.754 3.419 1.00 0.00 O ATOM 0 H GLU A 14 -11.211 -17.343 4.917 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.680 -17.315 2.014 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.111 -18.357 4.447 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.072 -17.920 3.048 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.677 -19.451 1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.788 -19.923 3.080 1.00 0.00 H new ATOM 168 N TYR A 15 -12.878 -15.164 1.859 1.00 0.00 N ATOM 169 CA TYR A 15 -13.514 -13.858 1.738 1.00 0.00 C ATOM 170 C TYR A 15 -14.226 -13.721 0.395 1.00 0.00 C ATOM 171 O TYR A 15 -13.847 -14.336 -0.602 1.00 0.00 O ATOM 172 CB TYR A 15 -12.477 -12.746 1.895 1.00 0.00 C ATOM 173 CG TYR A 15 -11.543 -12.949 3.067 1.00 0.00 C ATOM 174 CD1 TYR A 15 -10.364 -13.670 2.922 1.00 0.00 C ATOM 175 CD2 TYR A 15 -11.840 -12.423 4.317 1.00 0.00 C ATOM 176 CE1 TYR A 15 -9.507 -13.860 3.989 1.00 0.00 C ATOM 177 CE2 TYR A 15 -10.989 -12.607 5.390 1.00 0.00 C ATOM 178 CZ TYR A 15 -9.825 -13.326 5.222 1.00 0.00 C ATOM 179 OH TYR A 15 -8.974 -13.512 6.288 1.00 0.00 O ATOM 0 H TYR A 15 -12.540 -15.551 0.978 1.00 0.00 H new ATOM 0 HA TYR A 15 -14.255 -13.768 2.532 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.889 -12.678 0.980 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -12.993 -11.793 2.014 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -10.113 -14.089 1.959 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -12.752 -11.860 4.453 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.594 -14.423 3.859 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.235 -12.190 6.355 1.00 0.00 H new ATOM 0 HH TYR A 15 -8.053 -13.587 5.962 1.00 0.00 H new ATOM 189 N PRO A 16 -15.280 -12.893 0.366 1.00 0.00 N ATOM 190 CA PRO A 16 -16.066 -12.653 -0.847 1.00 0.00 C ATOM 191 C PRO A 16 -15.290 -11.858 -1.892 1.00 0.00 C ATOM 192 O PRO A 16 -14.649 -10.856 -1.575 1.00 0.00 O ATOM 193 CB PRO A 16 -17.263 -11.845 -0.341 1.00 0.00 C ATOM 194 CG PRO A 16 -16.773 -11.177 0.897 1.00 0.00 C ATOM 195 CD PRO A 16 -15.787 -12.128 1.518 1.00 0.00 C ATOM 0 HA PRO A 16 -16.342 -13.583 -1.344 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -17.590 -11.115 -1.082 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -18.116 -12.490 -0.132 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -16.301 -10.222 0.665 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.597 -10.968 1.580 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -14.986 -11.597 2.032 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -16.263 -12.777 2.253 1.00 0.00 H new ATOM 203 N VAL A 17 -15.353 -12.311 -3.140 1.00 0.00 N ATOM 204 CA VAL A 17 -14.658 -11.640 -4.232 1.00 0.00 C ATOM 205 C VAL A 17 -14.912 -10.137 -4.205 1.00 0.00 C ATOM 206 O VAL A 17 -14.008 -9.342 -4.458 1.00 0.00 O ATOM 207 CB VAL A 17 -15.093 -12.198 -5.601 1.00 0.00 C ATOM 208 CG1 VAL A 17 -16.351 -11.496 -6.088 1.00 0.00 C ATOM 209 CG2 VAL A 17 -13.968 -12.058 -6.615 1.00 0.00 C ATOM 0 H VAL A 17 -15.878 -13.140 -3.420 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.594 -11.828 -4.092 1.00 0.00 H new ATOM 0 HB VAL A 17 -15.318 -13.258 -5.487 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -16.643 -11.903 -7.056 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -17.156 -11.653 -5.370 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -16.156 -10.428 -6.187 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -14.293 -12.457 -7.576 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -13.709 -11.005 -6.728 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -13.095 -12.611 -6.269 1.00 0.00 H new ATOM 219 N GLU A 18 -16.146 -9.756 -3.895 1.00 0.00 N ATOM 220 CA GLU A 18 -16.518 -8.347 -3.834 1.00 0.00 C ATOM 221 C GLU A 18 -15.555 -7.569 -2.944 1.00 0.00 C ATOM 222 O GLU A 18 -15.229 -6.415 -3.225 1.00 0.00 O ATOM 223 CB GLU A 18 -17.948 -8.196 -3.312 1.00 0.00 C ATOM 224 CG GLU A 18 -18.054 -8.268 -1.798 1.00 0.00 C ATOM 225 CD GLU A 18 -19.484 -8.422 -1.319 1.00 0.00 C ATOM 226 OE1 GLU A 18 -20.219 -7.413 -1.311 1.00 0.00 O ATOM 227 OE2 GLU A 18 -19.869 -9.553 -0.954 1.00 0.00 O ATOM 0 H GLU A 18 -16.906 -10.403 -3.682 1.00 0.00 H new ATOM 0 HA GLU A 18 -16.463 -7.939 -4.843 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -18.351 -7.242 -3.651 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -18.570 -8.977 -3.749 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -17.461 -9.108 -1.436 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -17.625 -7.365 -1.364 1.00 0.00 H new ATOM 234 N GLN A 19 -15.103 -8.208 -1.869 1.00 0.00 N ATOM 235 CA GLN A 19 -14.178 -7.574 -0.937 1.00 0.00 C ATOM 236 C GLN A 19 -12.739 -7.702 -1.427 1.00 0.00 C ATOM 237 O GLN A 19 -11.941 -6.775 -1.284 1.00 0.00 O ATOM 238 CB GLN A 19 -14.313 -8.199 0.452 1.00 0.00 C ATOM 239 CG GLN A 19 -15.529 -7.711 1.223 1.00 0.00 C ATOM 240 CD GLN A 19 -15.429 -7.990 2.709 1.00 0.00 C ATOM 241 OE1 GLN A 19 -14.333 -8.118 3.256 1.00 0.00 O ATOM 242 NE2 GLN A 19 -16.575 -8.088 3.373 1.00 0.00 N ATOM 0 H GLN A 19 -15.362 -9.163 -1.622 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.430 -6.515 -0.878 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.369 -9.283 0.350 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.415 -7.979 1.029 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.648 -6.639 1.066 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -16.423 -8.192 0.826 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.461 -7.975 2.880 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.569 -8.276 4.375 1.00 0.00 H new ATOM 251 N MET A 20 -12.416 -8.854 -2.004 1.00 0.00 N ATOM 252 CA MET A 20 -11.072 -9.101 -2.515 1.00 0.00 C ATOM 253 C MET A 20 -10.727 -8.122 -3.632 1.00 0.00 C ATOM 254 O MET A 20 -11.612 -7.612 -4.320 1.00 0.00 O ATOM 255 CB MET A 20 -10.954 -10.538 -3.026 1.00 0.00 C ATOM 256 CG MET A 20 -11.337 -11.584 -1.992 1.00 0.00 C ATOM 257 SD MET A 20 -10.081 -11.790 -0.714 1.00 0.00 S ATOM 258 CE MET A 20 -9.019 -13.014 -1.476 1.00 0.00 C ATOM 0 H MET A 20 -13.065 -9.631 -2.130 1.00 0.00 H new ATOM 0 HA MET A 20 -10.367 -8.955 -1.697 1.00 0.00 H new ATOM 0 HB2 MET A 20 -11.590 -10.656 -3.903 1.00 0.00 H new ATOM 0 HB3 MET A 20 -9.929 -10.717 -3.349 1.00 0.00 H new ATOM 0 HG2 MET A 20 -12.281 -11.300 -1.526 1.00 0.00 H new ATOM 0 HG3 MET A 20 -11.502 -12.539 -2.491 1.00 0.00 H new ATOM 0 HE1 MET A 20 -8.420 -13.504 -0.709 1.00 0.00 H new ATOM 0 HE2 MET A 20 -9.630 -13.757 -1.989 1.00 0.00 H new ATOM 0 HE3 MET A 20 -8.360 -12.527 -2.195 1.00 0.00 H new ATOM 268 N THR A 21 -9.435 -7.862 -3.808 1.00 0.00 N ATOM 269 CA THR A 21 -8.974 -6.943 -4.841 1.00 0.00 C ATOM 270 C THR A 21 -7.933 -7.602 -5.739 1.00 0.00 C ATOM 271 O THR A 21 -6.965 -8.193 -5.257 1.00 0.00 O ATOM 272 CB THR A 21 -8.369 -5.666 -4.226 1.00 0.00 C ATOM 273 OG1 THR A 21 -9.305 -5.066 -3.323 1.00 0.00 O ATOM 274 CG2 THR A 21 -7.994 -4.669 -5.312 1.00 0.00 C ATOM 0 H THR A 21 -8.689 -8.275 -3.248 1.00 0.00 H new ATOM 0 HA THR A 21 -9.846 -6.674 -5.437 1.00 0.00 H new ATOM 0 HB THR A 21 -7.466 -5.943 -3.681 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.912 -4.256 -2.935 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.569 -3.776 -4.855 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.260 -5.118 -5.981 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.884 -4.398 -5.880 1.00 0.00 H new ATOM 282 N THR A 22 -8.137 -7.498 -7.048 1.00 0.00 N ATOM 283 CA THR A 22 -7.217 -8.085 -8.014 1.00 0.00 C ATOM 284 C THR A 22 -6.307 -7.023 -8.623 1.00 0.00 C ATOM 285 O THR A 22 -6.780 -6.057 -9.223 1.00 0.00 O ATOM 286 CB THR A 22 -7.974 -8.804 -9.145 1.00 0.00 C ATOM 287 OG1 THR A 22 -8.744 -9.887 -8.609 1.00 0.00 O ATOM 288 CG2 THR A 22 -7.006 -9.335 -10.192 1.00 0.00 C ATOM 0 H THR A 22 -8.932 -7.012 -7.464 1.00 0.00 H new ATOM 0 HA THR A 22 -6.612 -8.812 -7.472 1.00 0.00 H new ATOM 0 HB THR A 22 -8.641 -8.084 -9.620 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.224 -10.338 -9.335 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.564 -9.839 -10.981 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.442 -8.506 -10.619 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.318 -10.041 -9.727 1.00 0.00 H new ATOM 296 N ILE A 23 -5.001 -7.208 -8.464 1.00 0.00 N ATOM 297 CA ILE A 23 -4.027 -6.266 -8.999 1.00 0.00 C ATOM 298 C ILE A 23 -3.899 -6.409 -10.512 1.00 0.00 C ATOM 299 O ILE A 23 -3.723 -7.512 -11.029 1.00 0.00 O ATOM 300 CB ILE A 23 -2.641 -6.464 -8.357 1.00 0.00 C ATOM 301 CG1 ILE A 23 -2.757 -6.460 -6.832 1.00 0.00 C ATOM 302 CG2 ILE A 23 -1.681 -5.380 -8.824 1.00 0.00 C ATOM 303 CD1 ILE A 23 -1.601 -7.146 -6.136 1.00 0.00 C ATOM 0 H ILE A 23 -4.593 -8.001 -7.969 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.390 -5.266 -8.760 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.246 -7.430 -8.670 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.821 -5.429 -6.483 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.687 -6.951 -6.545 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.706 -5.534 -8.362 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.580 -5.426 -9.908 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.069 -4.402 -8.537 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.750 -7.105 -5.057 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.549 -8.187 -6.456 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.670 -6.641 -6.393 1.00 0.00 H new ATOM 315 N ALA A 24 -3.984 -5.285 -11.216 1.00 0.00 N ATOM 316 CA ALA A 24 -3.875 -5.283 -12.669 1.00 0.00 C ATOM 317 C ALA A 24 -2.417 -5.191 -13.109 1.00 0.00 C ATOM 318 O ALA A 24 -2.122 -4.746 -14.219 1.00 0.00 O ATOM 319 CB ALA A 24 -4.680 -4.135 -13.259 1.00 0.00 C ATOM 0 H ALA A 24 -4.128 -4.364 -10.803 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.282 -6.224 -13.040 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.589 -4.147 -14.345 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.728 -4.246 -12.982 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.301 -3.189 -12.873 1.00 0.00 H new ATOM 325 N GLN A 25 -1.511 -5.613 -12.233 1.00 0.00 N ATOM 326 CA GLN A 25 -0.084 -5.576 -12.532 1.00 0.00 C ATOM 327 C GLN A 25 0.494 -6.985 -12.603 1.00 0.00 C ATOM 328 O GLN A 25 1.224 -7.322 -13.536 1.00 0.00 O ATOM 329 CB GLN A 25 0.659 -4.759 -11.473 1.00 0.00 C ATOM 330 CG GLN A 25 0.769 -3.282 -11.812 1.00 0.00 C ATOM 331 CD GLN A 25 1.809 -3.004 -12.880 1.00 0.00 C ATOM 332 OE1 GLN A 25 1.482 -2.546 -13.976 1.00 0.00 O ATOM 333 NE2 GLN A 25 3.069 -3.279 -12.566 1.00 0.00 N ATOM 0 H GLN A 25 -1.739 -5.984 -11.311 1.00 0.00 H new ATOM 0 HA GLN A 25 0.046 -5.101 -13.504 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.146 -4.867 -10.517 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.661 -5.170 -11.346 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.201 -2.918 -12.151 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.022 -2.724 -10.910 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.294 -3.657 -11.646 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.812 -3.112 -13.245 1.00 0.00 H new ATOM 342 N CYS A 26 0.164 -7.805 -11.610 1.00 0.00 N ATOM 343 CA CYS A 26 0.651 -9.178 -11.558 1.00 0.00 C ATOM 344 C CYS A 26 -0.501 -10.156 -11.345 1.00 0.00 C ATOM 345 O CYS A 26 -0.311 -11.246 -10.805 1.00 0.00 O ATOM 346 CB CYS A 26 1.681 -9.335 -10.439 1.00 0.00 C ATOM 347 SG CYS A 26 1.101 -8.764 -8.810 1.00 0.00 S ATOM 0 H CYS A 26 -0.439 -7.542 -10.830 1.00 0.00 H new ATOM 0 HA CYS A 26 1.125 -9.405 -12.513 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.964 -10.385 -10.365 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.581 -8.781 -10.707 1.00 0.00 H new ATOM 0 HG CYS A 26 0.702 -9.784 -8.109 1.00 0.00 H new ATOM 352 N GLN A 27 -1.695 -9.757 -11.771 1.00 0.00 N ATOM 353 CA GLN A 27 -2.878 -10.599 -11.626 1.00 0.00 C ATOM 354 C GLN A 27 -2.868 -11.324 -10.284 1.00 0.00 C ATOM 355 O GLN A 27 -3.071 -12.536 -10.220 1.00 0.00 O ATOM 356 CB GLN A 27 -2.951 -11.615 -12.767 1.00 0.00 C ATOM 357 CG GLN A 27 -3.553 -11.053 -14.044 1.00 0.00 C ATOM 358 CD GLN A 27 -2.880 -9.770 -14.492 1.00 0.00 C ATOM 359 OE1 GLN A 27 -1.964 -9.791 -15.315 1.00 0.00 O ATOM 360 NE2 GLN A 27 -3.331 -8.644 -13.952 1.00 0.00 N ATOM 0 H GLN A 27 -1.869 -8.857 -12.219 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.757 -9.956 -11.665 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.947 -11.983 -12.980 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.542 -12.471 -12.443 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.473 -11.797 -14.837 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.616 -10.866 -13.889 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.092 -8.673 -13.274 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.916 -7.750 -14.216 1.00 0.00 H new ATOM 369 N CYS A 28 -2.631 -10.573 -9.213 1.00 0.00 N ATOM 370 CA CYS A 28 -2.594 -11.143 -7.872 1.00 0.00 C ATOM 371 C CYS A 28 -3.776 -10.654 -7.040 1.00 0.00 C ATOM 372 O CYS A 28 -3.953 -9.452 -6.840 1.00 0.00 O ATOM 373 CB CYS A 28 -1.282 -10.778 -7.176 1.00 0.00 C ATOM 374 SG CYS A 28 0.163 -11.715 -7.772 1.00 0.00 S ATOM 0 H CYS A 28 -2.462 -9.568 -9.248 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.660 -12.227 -7.964 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.094 -9.713 -7.315 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.393 -10.945 -6.105 1.00 0.00 H new ATOM 0 HG CYS A 28 0.199 -11.677 -9.071 1.00 0.00 H new ATOM 379 N ILE A 29 -4.583 -11.595 -6.560 1.00 0.00 N ATOM 380 CA ILE A 29 -5.748 -11.260 -5.750 1.00 0.00 C ATOM 381 C ILE A 29 -5.400 -11.250 -4.266 1.00 0.00 C ATOM 382 O ILE A 29 -4.629 -12.085 -3.792 1.00 0.00 O ATOM 383 CB ILE A 29 -6.903 -12.250 -5.988 1.00 0.00 C ATOM 384 CG1 ILE A 29 -8.219 -11.665 -5.473 1.00 0.00 C ATOM 385 CG2 ILE A 29 -6.608 -13.581 -5.314 1.00 0.00 C ATOM 386 CD1 ILE A 29 -9.434 -12.149 -6.233 1.00 0.00 C ATOM 0 H ILE A 29 -4.452 -12.594 -6.718 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.067 -10.263 -6.053 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.999 -12.422 -7.060 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.334 -11.921 -4.420 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.172 -10.578 -5.533 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.434 -14.270 -5.492 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.690 -14.001 -5.725 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.488 -13.427 -4.242 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.331 -11.693 -5.813 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.342 -11.869 -7.282 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.506 -13.234 -6.152 1.00 0.00 H new ATOM 398 N PHE A 30 -5.976 -10.302 -3.534 1.00 0.00 N ATOM 399 CA PHE A 30 -5.728 -10.183 -2.102 1.00 0.00 C ATOM 400 C PHE A 30 -6.911 -9.527 -1.397 1.00 0.00 C ATOM 401 O PHE A 30 -7.559 -8.636 -1.947 1.00 0.00 O ATOM 402 CB PHE A 30 -4.455 -9.373 -1.848 1.00 0.00 C ATOM 403 CG PHE A 30 -3.219 -10.002 -2.424 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.743 -11.205 -1.927 1.00 0.00 C ATOM 405 CD2 PHE A 30 -2.532 -9.392 -3.461 1.00 0.00 C ATOM 406 CE1 PHE A 30 -1.605 -11.788 -2.454 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.395 -9.970 -3.991 1.00 0.00 C ATOM 408 CZ PHE A 30 -0.930 -11.168 -3.487 1.00 0.00 C ATOM 0 H PHE A 30 -6.618 -9.604 -3.910 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.598 -11.187 -1.697 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.577 -8.377 -2.272 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.322 -9.248 -0.773 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.267 -11.693 -1.119 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.890 -8.454 -3.859 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.245 -12.726 -2.058 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.870 -9.484 -4.800 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.040 -11.620 -3.900 1.00 0.00 H new ATOM 418 N CYS A 31 -7.188 -9.974 -0.177 1.00 0.00 N ATOM 419 CA CYS A 31 -8.293 -9.433 0.604 1.00 0.00 C ATOM 420 C CYS A 31 -7.980 -8.019 1.083 1.00 0.00 C ATOM 421 O CYS A 31 -6.922 -7.766 1.662 1.00 0.00 O ATOM 422 CB CYS A 31 -8.588 -10.336 1.804 1.00 0.00 C ATOM 423 SG CYS A 31 -7.314 -10.282 3.105 1.00 0.00 S ATOM 0 H CYS A 31 -6.661 -10.711 0.293 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.173 -9.394 -0.038 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -9.546 -10.047 2.236 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.693 -11.363 1.455 1.00 0.00 H new ATOM 0 HG CYS A 31 -6.140 -10.435 2.569 1.00 0.00 H new ATOM 428 N THR A 32 -8.907 -7.097 0.838 1.00 0.00 N ATOM 429 CA THR A 32 -8.730 -5.709 1.243 1.00 0.00 C ATOM 430 C THR A 32 -7.918 -5.610 2.529 1.00 0.00 C ATOM 431 O THR A 32 -6.986 -4.811 2.627 1.00 0.00 O ATOM 432 CB THR A 32 -10.086 -5.007 1.450 1.00 0.00 C ATOM 433 OG1 THR A 32 -10.857 -5.067 0.245 1.00 0.00 O ATOM 434 CG2 THR A 32 -9.886 -3.555 1.858 1.00 0.00 C ATOM 0 H THR A 32 -9.788 -7.288 0.361 1.00 0.00 H new ATOM 0 HA THR A 32 -8.190 -5.211 0.437 1.00 0.00 H new ATOM 0 HB THR A 32 -10.620 -5.522 2.249 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.241 -5.963 0.147 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.857 -3.080 1.999 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.323 -3.513 2.790 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.335 -3.030 1.078 1.00 0.00 H new ATOM 442 N LEU A 33 -8.276 -6.427 3.514 1.00 0.00 N ATOM 443 CA LEU A 33 -7.580 -6.431 4.795 1.00 0.00 C ATOM 444 C LEU A 33 -6.067 -6.439 4.593 1.00 0.00 C ATOM 445 O LEU A 33 -5.387 -5.455 4.882 1.00 0.00 O ATOM 446 CB LEU A 33 -8.001 -7.648 5.622 1.00 0.00 C ATOM 447 CG LEU A 33 -9.487 -7.741 5.969 1.00 0.00 C ATOM 448 CD1 LEU A 33 -9.781 -9.033 6.715 1.00 0.00 C ATOM 449 CD2 LEU A 33 -9.919 -6.536 6.793 1.00 0.00 C ATOM 0 H LEU A 33 -9.044 -7.095 3.449 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.852 -5.522 5.331 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.719 -8.548 5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.431 -7.646 6.551 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.058 -7.744 5.040 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.843 -9.082 6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.510 -9.884 6.090 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.200 -9.061 7.637 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.979 -6.619 7.031 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.342 -6.501 7.717 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.746 -5.624 6.222 1.00 0.00 H new ATOM 461 N CYS A 34 -5.549 -7.555 4.092 1.00 0.00 N ATOM 462 CA CYS A 34 -4.118 -7.691 3.849 1.00 0.00 C ATOM 463 C CYS A 34 -3.582 -6.493 3.070 1.00 0.00 C ATOM 464 O CYS A 34 -2.712 -5.764 3.550 1.00 0.00 O ATOM 465 CB CYS A 34 -3.830 -8.983 3.081 1.00 0.00 C ATOM 466 SG CYS A 34 -4.150 -10.502 4.034 1.00 0.00 S ATOM 0 H CYS A 34 -6.099 -8.378 3.846 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.613 -7.730 4.814 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.439 -8.999 2.177 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.787 -8.979 2.763 1.00 0.00 H new ATOM 0 HG CYS A 34 -5.431 -10.711 4.100 1.00 0.00 H new ATOM 471 N LEU A 35 -4.106 -6.295 1.866 1.00 0.00 N ATOM 472 CA LEU A 35 -3.682 -5.186 1.019 1.00 0.00 C ATOM 473 C LEU A 35 -3.633 -3.883 1.812 1.00 0.00 C ATOM 474 O LEU A 35 -2.732 -3.065 1.629 1.00 0.00 O ATOM 475 CB LEU A 35 -4.629 -5.036 -0.172 1.00 0.00 C ATOM 476 CG LEU A 35 -4.296 -5.878 -1.404 1.00 0.00 C ATOM 477 CD1 LEU A 35 -5.490 -5.944 -2.344 1.00 0.00 C ATOM 478 CD2 LEU A 35 -3.080 -5.313 -2.124 1.00 0.00 C ATOM 0 H LEU A 35 -4.826 -6.888 1.454 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.679 -5.405 0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.637 -5.291 0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.646 -3.987 -0.467 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.061 -6.890 -1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.234 -6.547 -3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.336 -6.395 -1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.756 -4.937 -2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.858 -5.925 -2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.287 -4.291 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.223 -5.318 -1.450 1.00 0.00 H new ATOM 490 N LYS A 36 -4.609 -3.698 2.695 1.00 0.00 N ATOM 491 CA LYS A 36 -4.677 -2.497 3.519 1.00 0.00 C ATOM 492 C LYS A 36 -3.475 -2.411 4.454 1.00 0.00 C ATOM 493 O LYS A 36 -2.644 -1.512 4.329 1.00 0.00 O ATOM 494 CB LYS A 36 -5.972 -2.486 4.335 1.00 0.00 C ATOM 495 CG LYS A 36 -6.384 -1.102 4.803 1.00 0.00 C ATOM 496 CD LYS A 36 -7.542 -1.167 5.786 1.00 0.00 C ATOM 497 CE LYS A 36 -7.050 -1.275 7.220 1.00 0.00 C ATOM 498 NZ LYS A 36 -6.818 -2.690 7.622 1.00 0.00 N ATOM 0 H LYS A 36 -5.364 -4.365 2.858 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.664 -1.631 2.857 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.775 -2.910 3.732 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.850 -3.133 5.204 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.534 -0.608 5.273 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.669 -0.496 3.943 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.162 -0.277 5.679 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.172 -2.025 5.551 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.124 -0.710 7.330 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.781 -0.822 7.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.935 -2.782 8.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.504 -3.305 7.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.853 -2.973 7.356 1.00 0.00 H new ATOM 512 N GLN A 37 -3.389 -3.351 5.389 1.00 0.00 N ATOM 513 CA GLN A 37 -2.287 -3.379 6.344 1.00 0.00 C ATOM 514 C GLN A 37 -0.944 -3.417 5.624 1.00 0.00 C ATOM 515 O GLN A 37 0.065 -2.942 6.146 1.00 0.00 O ATOM 516 CB GLN A 37 -2.418 -4.591 7.269 1.00 0.00 C ATOM 517 CG GLN A 37 -3.217 -4.310 8.531 1.00 0.00 C ATOM 518 CD GLN A 37 -3.826 -5.563 9.128 1.00 0.00 C ATOM 519 OE1 GLN A 37 -3.408 -6.679 8.815 1.00 0.00 O ATOM 520 NE2 GLN A 37 -4.818 -5.387 9.991 1.00 0.00 N ATOM 0 H GLN A 37 -4.068 -4.103 5.506 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.333 -2.468 6.941 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.893 -5.405 6.722 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.422 -4.934 7.549 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.568 -3.839 9.269 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.010 -3.598 8.303 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.132 -4.444 10.221 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.266 -6.194 10.424 1.00 0.00 H new ATOM 529 N TYR A 38 -0.937 -3.983 4.423 1.00 0.00 N ATOM 530 CA TYR A 38 0.283 -4.085 3.632 1.00 0.00 C ATOM 531 C TYR A 38 0.755 -2.707 3.177 1.00 0.00 C ATOM 532 O TYR A 38 1.746 -2.179 3.680 1.00 0.00 O ATOM 533 CB TYR A 38 0.055 -4.984 2.416 1.00 0.00 C ATOM 534 CG TYR A 38 1.239 -5.048 1.478 1.00 0.00 C ATOM 535 CD1 TYR A 38 2.421 -5.672 1.862 1.00 0.00 C ATOM 536 CD2 TYR A 38 1.178 -4.484 0.210 1.00 0.00 C ATOM 537 CE1 TYR A 38 3.506 -5.732 1.009 1.00 0.00 C ATOM 538 CE2 TYR A 38 2.258 -4.540 -0.650 1.00 0.00 C ATOM 539 CZ TYR A 38 3.419 -5.165 -0.246 1.00 0.00 C ATOM 540 OH TYR A 38 4.498 -5.221 -1.099 1.00 0.00 O ATOM 0 H TYR A 38 -1.764 -4.379 3.975 1.00 0.00 H new ATOM 0 HA TYR A 38 1.057 -4.525 4.261 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.181 -5.991 2.759 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.814 -4.623 1.866 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.492 -6.117 2.843 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.271 -3.993 -0.109 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.417 -6.220 1.323 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.193 -4.097 -1.633 1.00 0.00 H new ATOM 0 HH TYR A 38 4.416 -4.518 -1.777 1.00 0.00 H new ATOM 550 N VAL A 39 0.034 -2.128 2.221 1.00 0.00 N ATOM 551 CA VAL A 39 0.375 -0.810 1.699 1.00 0.00 C ATOM 552 C VAL A 39 0.539 0.203 2.826 1.00 0.00 C ATOM 553 O VAL A 39 1.120 1.270 2.634 1.00 0.00 O ATOM 554 CB VAL A 39 -0.697 -0.300 0.717 1.00 0.00 C ATOM 555 CG1 VAL A 39 -0.962 -1.332 -0.368 1.00 0.00 C ATOM 556 CG2 VAL A 39 -1.978 0.043 1.461 1.00 0.00 C ATOM 0 H VAL A 39 -0.789 -2.551 1.793 1.00 0.00 H new ATOM 0 HA VAL A 39 1.322 -0.916 1.169 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.326 0.607 0.239 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.722 -0.954 -1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.042 -1.525 -0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.313 -2.258 0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.725 0.402 0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.355 -0.846 1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.774 0.820 2.198 1.00 0.00 H new ATOM 566 N GLU A 40 0.024 -0.140 4.003 1.00 0.00 N ATOM 567 CA GLU A 40 0.113 0.740 5.162 1.00 0.00 C ATOM 568 C GLU A 40 1.453 0.570 5.872 1.00 0.00 C ATOM 569 O GLU A 40 2.111 1.550 6.224 1.00 0.00 O ATOM 570 CB GLU A 40 -1.032 0.456 6.135 1.00 0.00 C ATOM 571 CG GLU A 40 -2.255 1.329 5.908 1.00 0.00 C ATOM 572 CD GLU A 40 -3.229 1.283 7.069 1.00 0.00 C ATOM 573 OE1 GLU A 40 -2.767 1.205 8.227 1.00 0.00 O ATOM 574 OE2 GLU A 40 -4.452 1.325 6.820 1.00 0.00 O ATOM 0 H GLU A 40 -0.459 -1.021 4.179 1.00 0.00 H new ATOM 0 HA GLU A 40 0.035 1.769 4.812 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.322 -0.591 6.046 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.676 0.602 7.155 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.937 2.359 5.747 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.763 1.006 4.999 1.00 0.00 H new ATOM 581 N LEU A 41 1.851 -0.680 6.079 1.00 0.00 N ATOM 582 CA LEU A 41 3.113 -0.980 6.748 1.00 0.00 C ATOM 583 C LEU A 41 4.297 -0.489 5.924 1.00 0.00 C ATOM 584 O LEU A 41 5.327 -0.090 6.470 1.00 0.00 O ATOM 585 CB LEU A 41 3.237 -2.485 6.995 1.00 0.00 C ATOM 586 CG LEU A 41 2.427 -3.043 8.166 1.00 0.00 C ATOM 587 CD1 LEU A 41 3.071 -4.312 8.703 1.00 0.00 C ATOM 588 CD2 LEU A 41 2.297 -2.002 9.267 1.00 0.00 C ATOM 0 H LEU A 41 1.319 -1.502 5.794 1.00 0.00 H new ATOM 0 HA LEU A 41 3.121 -0.459 7.705 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.934 -3.008 6.088 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.288 -2.720 7.162 1.00 0.00 H new ATOM 0 HG LEU A 41 1.428 -3.291 7.807 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.481 -4.695 9.536 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.112 -5.062 7.913 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.082 -4.090 9.046 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.718 -2.416 10.092 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.289 -1.724 9.623 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.791 -1.119 8.875 1.00 0.00 H new ATOM 600 N LEU A 42 4.145 -0.518 4.604 1.00 0.00 N ATOM 601 CA LEU A 42 5.201 -0.073 3.702 1.00 0.00 C ATOM 602 C LEU A 42 5.335 1.446 3.726 1.00 0.00 C ATOM 603 O LEU A 42 6.387 1.981 4.078 1.00 0.00 O ATOM 604 CB LEU A 42 4.915 -0.548 2.276 1.00 0.00 C ATOM 605 CG LEU A 42 5.469 -1.924 1.902 1.00 0.00 C ATOM 606 CD1 LEU A 42 5.063 -2.296 0.485 1.00 0.00 C ATOM 607 CD2 LEU A 42 6.984 -1.947 2.049 1.00 0.00 C ATOM 0 H LEU A 42 3.300 -0.845 4.135 1.00 0.00 H new ATOM 0 HA LEU A 42 6.141 -0.507 4.042 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.835 -0.561 2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.323 0.186 1.581 1.00 0.00 H new ATOM 0 HG LEU A 42 5.047 -2.662 2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.466 -3.278 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.976 -2.321 0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.456 -1.556 -0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.361 -2.933 1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.425 -1.198 1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.253 -1.726 3.082 1.00 0.00 H new ATOM 619 N ILE A 43 4.262 2.135 3.354 1.00 0.00 N ATOM 620 CA ILE A 43 4.259 3.592 3.337 1.00 0.00 C ATOM 621 C ILE A 43 4.794 4.159 4.648 1.00 0.00 C ATOM 622 O ILE A 43 5.731 4.958 4.655 1.00 0.00 O ATOM 623 CB ILE A 43 2.844 4.150 3.090 1.00 0.00 C ATOM 624 CG1 ILE A 43 2.308 3.661 1.743 1.00 0.00 C ATOM 625 CG2 ILE A 43 2.857 5.670 3.141 1.00 0.00 C ATOM 626 CD1 ILE A 43 0.812 3.828 1.592 1.00 0.00 C ATOM 0 H ILE A 43 3.384 1.708 3.060 1.00 0.00 H new ATOM 0 HA ILE A 43 4.910 3.898 2.518 1.00 0.00 H new ATOM 0 HB ILE A 43 2.183 3.786 3.877 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.809 4.205 0.942 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.562 2.608 1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.850 6.049 2.965 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.201 5.998 4.122 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.529 6.054 2.373 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.502 3.461 0.614 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.302 3.261 2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.553 4.883 1.682 1.00 0.00 H new ATOM 638 N LYS A 44 4.194 3.738 5.756 1.00 0.00 N ATOM 639 CA LYS A 44 4.612 4.200 7.075 1.00 0.00 C ATOM 640 C LYS A 44 6.133 4.238 7.182 1.00 0.00 C ATOM 641 O LYS A 44 6.706 5.213 7.664 1.00 0.00 O ATOM 642 CB LYS A 44 4.036 3.291 8.162 1.00 0.00 C ATOM 643 CG LYS A 44 2.520 3.331 8.248 1.00 0.00 C ATOM 644 CD LYS A 44 2.042 4.445 9.164 1.00 0.00 C ATOM 645 CE LYS A 44 2.024 4.002 10.619 1.00 0.00 C ATOM 646 NZ LYS A 44 1.029 2.920 10.857 1.00 0.00 N ATOM 0 H LYS A 44 3.417 3.078 5.767 1.00 0.00 H new ATOM 0 HA LYS A 44 4.231 5.211 7.216 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.354 2.266 7.973 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.454 3.581 9.126 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.102 3.474 7.252 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.150 2.373 8.615 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.694 5.312 9.055 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.042 4.759 8.866 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.016 3.652 10.904 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.792 4.856 11.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.359 3.220 11.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.511 2.725 9.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.521 2.058 11.168 1.00 0.00 H new ATOM 660 N GLU A 45 6.780 3.169 6.727 1.00 0.00 N ATOM 661 CA GLU A 45 8.235 3.081 6.772 1.00 0.00 C ATOM 662 C GLU A 45 8.874 4.285 6.086 1.00 0.00 C ATOM 663 O GLU A 45 9.654 5.017 6.692 1.00 0.00 O ATOM 664 CB GLU A 45 8.711 1.788 6.105 1.00 0.00 C ATOM 665 CG GLU A 45 10.221 1.620 6.113 1.00 0.00 C ATOM 666 CD GLU A 45 10.646 0.165 6.145 1.00 0.00 C ATOM 667 OE1 GLU A 45 10.639 -0.432 7.241 1.00 0.00 O ATOM 668 OE2 GLU A 45 10.984 -0.378 5.072 1.00 0.00 O ATOM 0 H GLU A 45 6.320 2.353 6.324 1.00 0.00 H new ATOM 0 HA GLU A 45 8.541 3.076 7.818 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.256 0.938 6.614 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.357 1.769 5.074 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.641 2.098 5.228 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.635 2.135 6.980 1.00 0.00 H new ATOM 675 N GLY A 46 8.536 4.482 4.815 1.00 0.00 N ATOM 676 CA GLY A 46 9.086 5.597 4.066 1.00 0.00 C ATOM 677 C GLY A 46 10.261 5.191 3.199 1.00 0.00 C ATOM 678 O GLY A 46 10.384 5.638 2.058 1.00 0.00 O ATOM 0 H GLY A 46 7.892 3.890 4.291 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.307 6.028 3.437 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.403 6.376 4.760 1.00 0.00 H new ATOM 682 N LEU A 47 11.128 4.341 3.740 1.00 0.00 N ATOM 683 CA LEU A 47 12.300 3.875 3.008 1.00 0.00 C ATOM 684 C LEU A 47 11.926 3.456 1.590 1.00 0.00 C ATOM 685 O LEU A 47 12.406 4.033 0.615 1.00 0.00 O ATOM 686 CB LEU A 47 12.952 2.704 3.745 1.00 0.00 C ATOM 687 CG LEU A 47 14.205 2.116 3.094 1.00 0.00 C ATOM 688 CD1 LEU A 47 15.097 1.470 4.142 1.00 0.00 C ATOM 689 CD2 LEU A 47 13.827 1.109 2.018 1.00 0.00 C ATOM 0 H LEU A 47 11.041 3.961 4.683 1.00 0.00 H new ATOM 0 HA LEU A 47 13.011 4.699 2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 47 13.210 3.033 4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.213 1.909 3.848 1.00 0.00 H new ATOM 0 HG LEU A 47 14.760 2.927 2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.984 1.057 3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.398 2.218 4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.550 0.671 4.642 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.732 0.702 1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.248 0.300 2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.230 1.603 1.251 1.00 0.00 H new ATOM 701 N GLU A 48 11.065 2.449 1.485 1.00 0.00 N ATOM 702 CA GLU A 48 10.626 1.954 0.185 1.00 0.00 C ATOM 703 C GLU A 48 9.300 2.593 -0.221 1.00 0.00 C ATOM 704 O GLU A 48 8.235 1.997 -0.063 1.00 0.00 O ATOM 705 CB GLU A 48 10.481 0.431 0.217 1.00 0.00 C ATOM 706 CG GLU A 48 10.717 -0.231 -1.130 1.00 0.00 C ATOM 707 CD GLU A 48 11.233 -1.651 -0.999 1.00 0.00 C ATOM 708 OE1 GLU A 48 10.821 -2.346 -0.047 1.00 0.00 O ATOM 709 OE2 GLU A 48 12.046 -2.067 -1.850 1.00 0.00 O ATOM 0 H GLU A 48 10.658 1.961 2.283 1.00 0.00 H new ATOM 0 HA GLU A 48 11.382 2.225 -0.552 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.185 0.023 0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.480 0.177 0.567 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.785 -0.238 -1.696 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.433 0.361 -1.701 1.00 0.00 H new ATOM 716 N THR A 49 9.374 3.813 -0.745 1.00 0.00 N ATOM 717 CA THR A 49 8.182 4.534 -1.173 1.00 0.00 C ATOM 718 C THR A 49 7.326 3.681 -2.100 1.00 0.00 C ATOM 719 O THR A 49 6.098 3.704 -2.024 1.00 0.00 O ATOM 720 CB THR A 49 8.548 5.846 -1.893 1.00 0.00 C ATOM 721 OG1 THR A 49 7.357 6.548 -2.268 1.00 0.00 O ATOM 722 CG2 THR A 49 9.389 5.568 -3.130 1.00 0.00 C ATOM 0 H THR A 49 10.247 4.322 -0.883 1.00 0.00 H new ATOM 0 HA THR A 49 7.614 4.768 -0.273 1.00 0.00 H new ATOM 0 HB THR A 49 9.131 6.461 -1.207 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.532 7.512 -2.269 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.635 6.509 -3.622 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.308 5.060 -2.838 1.00 0.00 H new ATOM 0 HG23 THR A 49 8.827 4.936 -3.817 1.00 0.00 H new ATOM 730 N ALA A 50 7.981 2.925 -2.976 1.00 0.00 N ATOM 731 CA ALA A 50 7.279 2.061 -3.917 1.00 0.00 C ATOM 732 C ALA A 50 6.539 0.944 -3.189 1.00 0.00 C ATOM 733 O ALA A 50 7.034 0.403 -2.198 1.00 0.00 O ATOM 734 CB ALA A 50 8.255 1.480 -4.929 1.00 0.00 C ATOM 0 H ALA A 50 8.998 2.894 -3.053 1.00 0.00 H new ATOM 0 HA ALA A 50 6.541 2.664 -4.446 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.717 0.837 -5.625 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.734 2.290 -5.479 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.014 0.896 -4.409 1.00 0.00 H new ATOM 740 N ILE A 51 5.356 0.602 -3.685 1.00 0.00 N ATOM 741 CA ILE A 51 4.550 -0.452 -3.081 1.00 0.00 C ATOM 742 C ILE A 51 4.554 -1.709 -3.944 1.00 0.00 C ATOM 743 O ILE A 51 3.691 -1.886 -4.804 1.00 0.00 O ATOM 744 CB ILE A 51 3.095 0.005 -2.867 1.00 0.00 C ATOM 745 CG1 ILE A 51 3.059 1.304 -2.058 1.00 0.00 C ATOM 746 CG2 ILE A 51 2.296 -1.083 -2.165 1.00 0.00 C ATOM 747 CD1 ILE A 51 3.590 1.155 -0.650 1.00 0.00 C ATOM 0 H ILE A 51 4.933 1.039 -4.504 1.00 0.00 H new ATOM 0 HA ILE A 51 4.998 -0.677 -2.113 1.00 0.00 H new ATOM 0 HB ILE A 51 2.642 0.192 -3.841 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.643 2.063 -2.579 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.032 1.666 -2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.270 -0.745 -2.021 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.298 -1.987 -2.774 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.747 -1.298 -1.196 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.534 2.115 -0.136 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.992 0.420 -0.112 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.628 0.823 -0.686 1.00 0.00 H new ATOM 759 N SER A 52 5.529 -2.580 -3.706 1.00 0.00 N ATOM 760 CA SER A 52 5.646 -3.821 -4.463 1.00 0.00 C ATOM 761 C SER A 52 4.530 -4.792 -4.091 1.00 0.00 C ATOM 762 O SER A 52 3.668 -4.480 -3.269 1.00 0.00 O ATOM 763 CB SER A 52 7.008 -4.471 -4.208 1.00 0.00 C ATOM 764 OG SER A 52 7.254 -5.518 -5.130 1.00 0.00 O ATOM 0 H SER A 52 6.249 -2.450 -2.995 1.00 0.00 H new ATOM 0 HA SER A 52 5.557 -3.581 -5.523 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.794 -3.720 -4.288 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.043 -4.862 -3.191 1.00 0.00 H new ATOM 0 HG SER A 52 8.131 -5.916 -4.947 1.00 0.00 H new ATOM 770 N CYS A 53 4.551 -5.971 -4.704 1.00 0.00 N ATOM 771 CA CYS A 53 3.541 -6.988 -4.440 1.00 0.00 C ATOM 772 C CYS A 53 3.828 -7.712 -3.126 1.00 0.00 C ATOM 773 O CYS A 53 4.965 -8.072 -2.823 1.00 0.00 O ATOM 774 CB CYS A 53 3.491 -7.997 -5.589 1.00 0.00 C ATOM 775 SG CYS A 53 2.292 -9.345 -5.343 1.00 0.00 S ATOM 0 H CYS A 53 5.257 -6.245 -5.387 1.00 0.00 H new ATOM 0 HA CYS A 53 2.574 -6.491 -4.358 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.245 -7.470 -6.511 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.483 -8.428 -5.723 1.00 0.00 H new ATOM 0 HG CYS A 53 1.587 -9.501 -6.424 1.00 0.00 H new ATOM 780 N PRO A 54 2.772 -7.929 -2.329 1.00 0.00 N ATOM 781 CA PRO A 54 2.884 -8.612 -1.036 1.00 0.00 C ATOM 782 C PRO A 54 3.199 -10.096 -1.189 1.00 0.00 C ATOM 783 O PRO A 54 3.239 -10.837 -0.207 1.00 0.00 O ATOM 784 CB PRO A 54 1.500 -8.420 -0.412 1.00 0.00 C ATOM 785 CG PRO A 54 0.584 -8.237 -1.573 1.00 0.00 C ATOM 786 CD PRO A 54 1.388 -7.527 -2.627 1.00 0.00 C ATOM 0 HA PRO A 54 3.698 -8.210 -0.432 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.212 -9.284 0.187 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.480 -7.553 0.249 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.222 -9.198 -1.940 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.292 -7.653 -1.291 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.089 -7.828 -3.631 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.262 -6.446 -2.568 1.00 0.00 H new ATOM 794 N ASP A 55 3.422 -10.524 -2.427 1.00 0.00 N ATOM 795 CA ASP A 55 3.734 -11.920 -2.709 1.00 0.00 C ATOM 796 C ASP A 55 5.227 -12.102 -2.970 1.00 0.00 C ATOM 797 O ASP A 55 5.767 -11.563 -3.935 1.00 0.00 O ATOM 798 CB ASP A 55 2.930 -12.413 -3.912 1.00 0.00 C ATOM 799 CG ASP A 55 3.209 -13.866 -4.241 1.00 0.00 C ATOM 800 OD1 ASP A 55 3.040 -14.720 -3.345 1.00 0.00 O ATOM 801 OD2 ASP A 55 3.598 -14.149 -5.393 1.00 0.00 O ATOM 0 H ASP A 55 3.392 -9.924 -3.251 1.00 0.00 H new ATOM 0 HA ASP A 55 3.462 -12.510 -1.834 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.866 -12.287 -3.710 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.165 -11.796 -4.779 1.00 0.00 H new ATOM 806 N ALA A 56 5.887 -12.861 -2.102 1.00 0.00 N ATOM 807 CA ALA A 56 7.315 -13.114 -2.239 1.00 0.00 C ATOM 808 C ALA A 56 7.600 -14.020 -3.431 1.00 0.00 C ATOM 809 O ALA A 56 8.665 -13.940 -4.043 1.00 0.00 O ATOM 810 CB ALA A 56 7.868 -13.727 -0.962 1.00 0.00 C ATOM 0 H ALA A 56 5.455 -13.312 -1.296 1.00 0.00 H new ATOM 0 HA ALA A 56 7.812 -12.160 -2.415 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.936 -13.910 -1.079 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.707 -13.042 -0.130 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.358 -14.669 -0.760 1.00 0.00 H new ATOM 816 N ALA A 57 6.642 -14.883 -3.755 1.00 0.00 N ATOM 817 CA ALA A 57 6.791 -15.805 -4.875 1.00 0.00 C ATOM 818 C ALA A 57 6.041 -15.300 -6.104 1.00 0.00 C ATOM 819 O ALA A 57 5.400 -16.075 -6.813 1.00 0.00 O ATOM 820 CB ALA A 57 6.299 -17.191 -4.486 1.00 0.00 C ATOM 0 H ALA A 57 5.755 -14.963 -3.258 1.00 0.00 H new ATOM 0 HA ALA A 57 7.850 -15.865 -5.127 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.416 -17.869 -5.331 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.881 -17.560 -3.642 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.247 -17.138 -4.206 1.00 0.00 H new ATOM 826 N CYS A 58 6.126 -13.998 -6.349 1.00 0.00 N ATOM 827 CA CYS A 58 5.454 -13.388 -7.491 1.00 0.00 C ATOM 828 C CYS A 58 6.340 -13.441 -8.733 1.00 0.00 C ATOM 829 O CYS A 58 7.350 -12.746 -8.837 1.00 0.00 O ATOM 830 CB CYS A 58 5.084 -11.938 -7.177 1.00 0.00 C ATOM 831 SG CYS A 58 4.008 -11.159 -8.424 1.00 0.00 S ATOM 0 H CYS A 58 6.654 -13.343 -5.772 1.00 0.00 H new ATOM 0 HA CYS A 58 4.543 -13.953 -7.690 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.585 -11.903 -6.209 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.999 -11.352 -7.085 1.00 0.00 H new ATOM 0 HG CYS A 58 2.763 -11.377 -8.120 1.00 0.00 H new ATOM 836 N PRO A 59 5.952 -14.287 -9.699 1.00 0.00 N ATOM 837 CA PRO A 59 6.695 -14.452 -10.953 1.00 0.00 C ATOM 838 C PRO A 59 6.594 -13.224 -11.851 1.00 0.00 C ATOM 839 O PRO A 59 7.276 -13.132 -12.872 1.00 0.00 O ATOM 840 CB PRO A 59 6.015 -15.655 -11.612 1.00 0.00 C ATOM 841 CG PRO A 59 4.636 -15.667 -11.050 1.00 0.00 C ATOM 842 CD PRO A 59 4.758 -15.148 -9.643 1.00 0.00 C ATOM 0 HA PRO A 59 7.762 -14.591 -10.780 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.999 -15.555 -12.697 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.543 -16.581 -11.385 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.968 -15.040 -11.641 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.219 -16.674 -11.060 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.872 -14.588 -9.343 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.881 -15.959 -8.925 1.00 0.00 H new ATOM 850 N LYS A 60 5.741 -12.282 -11.465 1.00 0.00 N ATOM 851 CA LYS A 60 5.552 -11.059 -12.235 1.00 0.00 C ATOM 852 C LYS A 60 6.238 -9.877 -11.555 1.00 0.00 C ATOM 853 O LYS A 60 6.613 -8.905 -12.211 1.00 0.00 O ATOM 854 CB LYS A 60 4.060 -10.764 -12.406 1.00 0.00 C ATOM 855 CG LYS A 60 3.436 -11.466 -13.600 1.00 0.00 C ATOM 856 CD LYS A 60 3.757 -10.747 -14.900 1.00 0.00 C ATOM 857 CE LYS A 60 2.646 -10.922 -15.924 1.00 0.00 C ATOM 858 NZ LYS A 60 1.509 -9.994 -15.673 1.00 0.00 N ATOM 0 H LYS A 60 5.169 -12.342 -10.623 1.00 0.00 H new ATOM 0 HA LYS A 60 6.003 -11.205 -13.217 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.532 -11.065 -11.501 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.920 -9.688 -12.513 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.800 -12.492 -13.651 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.355 -11.518 -13.469 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.907 -9.686 -14.702 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.692 -11.131 -15.308 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.043 -10.748 -16.924 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.287 -11.951 -15.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.773 -10.144 -16.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.113 -10.177 -14.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.846 -9.011 -15.723 1.00 0.00 H new ATOM 872 N GLN A 61 6.399 -9.969 -10.239 1.00 0.00 N ATOM 873 CA GLN A 61 7.041 -8.908 -9.473 1.00 0.00 C ATOM 874 C GLN A 61 6.394 -7.559 -9.764 1.00 0.00 C ATOM 875 O GLN A 61 7.081 -6.570 -10.017 1.00 0.00 O ATOM 876 CB GLN A 61 8.535 -8.851 -9.793 1.00 0.00 C ATOM 877 CG GLN A 61 9.307 -10.074 -9.325 1.00 0.00 C ATOM 878 CD GLN A 61 10.807 -9.863 -9.354 1.00 0.00 C ATOM 879 OE1 GLN A 61 11.500 -10.372 -10.238 1.00 0.00 O ATOM 880 NE2 GLN A 61 11.319 -9.113 -8.386 1.00 0.00 N ATOM 0 H GLN A 61 6.094 -10.767 -9.682 1.00 0.00 H new ATOM 0 HA GLN A 61 6.913 -9.131 -8.414 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.663 -8.742 -10.870 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.963 -7.962 -9.329 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.999 -10.327 -8.310 1.00 0.00 H new ATOM 0 HG3 GLN A 61 9.051 -10.924 -9.957 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.708 -8.711 -7.675 1.00 0.00 H new ATOM 0 HE22 GLN A 61 12.323 -8.938 -8.353 1.00 0.00 H new ATOM 889 N GLY A 62 5.065 -7.524 -9.726 1.00 0.00 N ATOM 890 CA GLY A 62 4.346 -6.291 -9.988 1.00 0.00 C ATOM 891 C GLY A 62 4.211 -5.424 -8.751 1.00 0.00 C ATOM 892 O GLY A 62 4.580 -5.838 -7.652 1.00 0.00 O ATOM 0 H GLY A 62 4.473 -8.328 -9.518 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.864 -5.730 -10.766 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.354 -6.527 -10.372 1.00 0.00 H new ATOM 896 N HIS A 63 3.684 -4.218 -8.932 1.00 0.00 N ATOM 897 CA HIS A 63 3.502 -3.289 -7.821 1.00 0.00 C ATOM 898 C HIS A 63 2.101 -2.684 -7.842 1.00 0.00 C ATOM 899 O HIS A 63 1.306 -2.963 -8.741 1.00 0.00 O ATOM 900 CB HIS A 63 4.551 -2.179 -7.879 1.00 0.00 C ATOM 901 CG HIS A 63 5.948 -2.683 -8.076 1.00 0.00 C ATOM 902 ND1 HIS A 63 6.382 -3.259 -9.251 1.00 0.00 N ATOM 903 CD2 HIS A 63 7.010 -2.696 -7.238 1.00 0.00 C ATOM 904 CE1 HIS A 63 7.651 -3.605 -9.127 1.00 0.00 C ATOM 905 NE2 HIS A 63 8.057 -3.273 -7.915 1.00 0.00 N ATOM 0 H HIS A 63 3.375 -3.860 -9.836 1.00 0.00 H new ATOM 0 HA HIS A 63 3.624 -3.845 -6.891 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.302 -1.497 -8.692 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.509 -1.602 -6.955 1.00 0.00 H new ATOM 0 HD2 HIS A 63 7.031 -2.322 -6.225 1.00 0.00 H new ATOM 0 HE1 HIS A 63 8.254 -4.079 -9.888 1.00 0.00 H new ATOM 0 HE2 HIS A 63 8.995 -3.421 -7.542 1.00 0.00 H new ATOM 913 N LEU A 64 1.805 -1.855 -6.848 1.00 0.00 N ATOM 914 CA LEU A 64 0.500 -1.211 -6.751 1.00 0.00 C ATOM 915 C LEU A 64 0.553 0.211 -7.301 1.00 0.00 C ATOM 916 O LEU A 64 1.522 0.937 -7.077 1.00 0.00 O ATOM 917 CB LEU A 64 0.026 -1.190 -5.298 1.00 0.00 C ATOM 918 CG LEU A 64 -0.632 -2.473 -4.788 1.00 0.00 C ATOM 919 CD1 LEU A 64 -1.861 -2.810 -5.620 1.00 0.00 C ATOM 920 CD2 LEU A 64 0.360 -3.626 -4.807 1.00 0.00 C ATOM 0 H LEU A 64 2.451 -1.613 -6.097 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.207 -1.787 -7.349 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.882 -0.966 -4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.683 -0.370 -5.180 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.949 -2.311 -3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.316 -3.726 -5.243 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.580 -1.994 -5.554 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.568 -2.952 -6.660 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.126 -4.530 -4.441 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.709 -3.789 -5.827 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.209 -3.386 -4.167 1.00 0.00 H new ATOM 932 N GLN A 65 -0.495 0.602 -8.019 1.00 0.00 N ATOM 933 CA GLN A 65 -0.567 1.938 -8.598 1.00 0.00 C ATOM 934 C GLN A 65 -1.074 2.949 -7.574 1.00 0.00 C ATOM 935 O GLN A 65 -1.437 2.585 -6.457 1.00 0.00 O ATOM 936 CB GLN A 65 -1.482 1.936 -9.824 1.00 0.00 C ATOM 937 CG GLN A 65 -1.015 1.001 -10.929 1.00 0.00 C ATOM 938 CD GLN A 65 -2.024 0.878 -12.054 1.00 0.00 C ATOM 939 OE1 GLN A 65 -2.547 1.878 -12.547 1.00 0.00 O ATOM 940 NE2 GLN A 65 -2.304 -0.353 -12.467 1.00 0.00 N ATOM 0 H GLN A 65 -1.305 0.013 -8.213 1.00 0.00 H new ATOM 0 HA GLN A 65 0.438 2.229 -8.903 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.487 1.648 -9.516 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -1.548 2.949 -10.220 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.070 1.364 -11.332 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.824 0.014 -10.508 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.847 -1.154 -12.030 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.976 -0.498 -13.221 1.00 0.00 H new ATOM 949 N GLU A 66 -1.094 4.220 -7.965 1.00 0.00 N ATOM 950 CA GLU A 66 -1.554 5.283 -7.079 1.00 0.00 C ATOM 951 C GLU A 66 -3.047 5.146 -6.795 1.00 0.00 C ATOM 952 O GLU A 66 -3.456 4.935 -5.654 1.00 0.00 O ATOM 953 CB GLU A 66 -1.265 6.652 -7.697 1.00 0.00 C ATOM 954 CG GLU A 66 0.056 7.256 -7.249 1.00 0.00 C ATOM 955 CD GLU A 66 0.680 8.145 -8.307 1.00 0.00 C ATOM 956 OE1 GLU A 66 1.217 7.603 -9.296 1.00 0.00 O ATOM 957 OE2 GLU A 66 0.631 9.382 -8.146 1.00 0.00 O ATOM 0 H GLU A 66 -0.798 4.538 -8.888 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.013 5.196 -6.137 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.262 6.558 -8.783 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.074 7.336 -7.439 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.104 7.836 -6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.751 6.455 -6.997 1.00 0.00 H new ATOM 964 N ASN A 67 -3.856 5.269 -7.842 1.00 0.00 N ATOM 965 CA ASN A 67 -5.304 5.160 -7.706 1.00 0.00 C ATOM 966 C ASN A 67 -5.680 3.969 -6.830 1.00 0.00 C ATOM 967 O ASN A 67 -6.589 4.056 -6.004 1.00 0.00 O ATOM 968 CB ASN A 67 -5.958 5.021 -9.082 1.00 0.00 C ATOM 969 CG ASN A 67 -7.242 4.214 -9.034 1.00 0.00 C ATOM 970 OD1 ASN A 67 -8.328 4.766 -8.862 1.00 0.00 O ATOM 971 ND2 ASN A 67 -7.121 2.902 -9.186 1.00 0.00 N ATOM 0 H ASN A 67 -3.534 5.444 -8.794 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.668 6.070 -7.228 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.170 6.012 -9.482 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.258 4.544 -9.767 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.949 2.307 -9.163 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.200 2.488 -9.326 1.00 0.00 H new ATOM 978 N GLU A 68 -4.974 2.858 -7.016 1.00 0.00 N ATOM 979 CA GLU A 68 -5.234 1.649 -6.242 1.00 0.00 C ATOM 980 C GLU A 68 -5.017 1.899 -4.752 1.00 0.00 C ATOM 981 O GLU A 68 -5.808 1.461 -3.916 1.00 0.00 O ATOM 982 CB GLU A 68 -4.331 0.509 -6.716 1.00 0.00 C ATOM 983 CG GLU A 68 -4.782 -0.121 -8.022 1.00 0.00 C ATOM 984 CD GLU A 68 -6.045 -0.945 -7.867 1.00 0.00 C ATOM 985 OE1 GLU A 68 -5.954 -2.088 -7.375 1.00 0.00 O ATOM 986 OE2 GLU A 68 -7.128 -0.444 -8.238 1.00 0.00 O ATOM 0 H GLU A 68 -4.218 2.770 -7.695 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.275 1.366 -6.397 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.316 0.887 -6.836 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.296 -0.260 -5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.953 0.663 -8.759 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.984 -0.755 -8.410 1.00 0.00 H new ATOM 993 N ILE A 69 -3.940 2.608 -4.428 1.00 0.00 N ATOM 994 CA ILE A 69 -3.619 2.916 -3.040 1.00 0.00 C ATOM 995 C ILE A 69 -4.585 3.949 -2.469 1.00 0.00 C ATOM 996 O ILE A 69 -5.195 3.730 -1.424 1.00 0.00 O ATOM 997 CB ILE A 69 -2.179 3.446 -2.900 1.00 0.00 C ATOM 998 CG1 ILE A 69 -1.185 2.441 -3.486 1.00 0.00 C ATOM 999 CG2 ILE A 69 -1.858 3.727 -1.440 1.00 0.00 C ATOM 1000 CD1 ILE A 69 0.063 3.085 -4.049 1.00 0.00 C ATOM 0 H ILE A 69 -3.276 2.979 -5.107 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.712 1.985 -2.480 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.094 4.380 -3.456 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.899 1.730 -2.711 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.678 1.872 -4.274 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.837 4.101 -1.357 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.551 4.474 -1.052 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.956 2.808 -0.863 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.722 2.314 -4.447 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.212 3.775 -4.847 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.579 3.631 -3.259 1.00 0.00 H new ATOM 1012 N GLU A 70 -4.720 5.074 -3.165 1.00 0.00 N ATOM 1013 CA GLU A 70 -5.614 6.140 -2.728 1.00 0.00 C ATOM 1014 C GLU A 70 -6.850 5.565 -2.040 1.00 0.00 C ATOM 1015 O GLU A 70 -7.085 5.809 -0.856 1.00 0.00 O ATOM 1016 CB GLU A 70 -6.034 7.005 -3.917 1.00 0.00 C ATOM 1017 CG GLU A 70 -6.824 8.241 -3.522 1.00 0.00 C ATOM 1018 CD GLU A 70 -7.088 9.164 -4.696 1.00 0.00 C ATOM 1019 OE1 GLU A 70 -6.133 9.452 -5.449 1.00 0.00 O ATOM 1020 OE2 GLU A 70 -8.246 9.601 -4.860 1.00 0.00 O ATOM 0 H GLU A 70 -4.222 5.270 -4.033 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.075 6.760 -2.011 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.143 7.313 -4.464 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.634 6.403 -4.599 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.774 7.936 -3.084 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.278 8.786 -2.752 1.00 0.00 H new ATOM 1027 N CYS A 71 -7.637 4.804 -2.792 1.00 0.00 N ATOM 1028 CA CYS A 71 -8.850 4.195 -2.257 1.00 0.00 C ATOM 1029 C CYS A 71 -8.516 3.196 -1.155 1.00 0.00 C ATOM 1030 O CYS A 71 -9.194 3.138 -0.130 1.00 0.00 O ATOM 1031 CB CYS A 71 -9.632 3.501 -3.373 1.00 0.00 C ATOM 1032 SG CYS A 71 -11.393 3.291 -3.021 1.00 0.00 S ATOM 0 H CYS A 71 -7.457 4.594 -3.774 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.466 4.986 -1.830 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -9.522 4.078 -4.291 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -9.190 2.522 -3.557 1.00 0.00 H new ATOM 0 HG CYS A 71 -11.968 2.697 -4.024 1.00 0.00 H new ATOM 1038 N MET A 72 -7.469 2.409 -1.374 1.00 0.00 N ATOM 1039 CA MET A 72 -7.045 1.410 -0.399 1.00 0.00 C ATOM 1040 C MET A 72 -7.032 1.996 1.009 1.00 0.00 C ATOM 1041 O MET A 72 -7.621 1.433 1.932 1.00 0.00 O ATOM 1042 CB MET A 72 -5.657 0.876 -0.754 1.00 0.00 C ATOM 1043 CG MET A 72 -5.354 -0.484 -0.145 1.00 0.00 C ATOM 1044 SD MET A 72 -5.970 -1.848 -1.150 1.00 0.00 S ATOM 1045 CE MET A 72 -4.580 -2.115 -2.249 1.00 0.00 C ATOM 0 H MET A 72 -6.898 2.443 -2.218 1.00 0.00 H new ATOM 0 HA MET A 72 -7.760 0.588 -0.425 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.570 0.807 -1.838 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.905 1.591 -0.419 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.277 -0.589 -0.018 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.799 -0.540 0.849 1.00 0.00 H new ATOM 0 HE1 MET A 72 -4.788 -2.966 -2.898 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.421 -1.225 -2.857 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.685 -2.318 -1.661 1.00 0.00 H new ATOM 1055 N VAL A 73 -6.357 3.131 1.166 1.00 0.00 N ATOM 1056 CA VAL A 73 -6.268 3.794 2.461 1.00 0.00 C ATOM 1057 C VAL A 73 -7.099 5.072 2.483 1.00 0.00 C ATOM 1058 O VAL A 73 -7.712 5.442 1.483 1.00 0.00 O ATOM 1059 CB VAL A 73 -4.809 4.136 2.818 1.00 0.00 C ATOM 1060 CG1 VAL A 73 -3.953 2.880 2.830 1.00 0.00 C ATOM 1061 CG2 VAL A 73 -4.251 5.163 1.843 1.00 0.00 C ATOM 0 H VAL A 73 -5.864 3.610 0.412 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.661 3.097 3.201 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.789 4.568 3.818 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.926 3.142 3.084 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.343 2.181 3.570 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.975 2.415 1.844 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.219 5.394 2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.283 4.759 0.831 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.850 6.072 1.890 1.00 0.00 H new ATOM 1071 N ALA A 74 -7.115 5.741 3.631 1.00 0.00 N ATOM 1072 CA ALA A 74 -7.868 6.980 3.782 1.00 0.00 C ATOM 1073 C ALA A 74 -6.992 8.195 3.494 1.00 0.00 C ATOM 1074 O ALA A 74 -5.817 8.058 3.156 1.00 0.00 O ATOM 1075 CB ALA A 74 -8.456 7.072 5.182 1.00 0.00 C ATOM 0 H ALA A 74 -6.615 5.446 4.470 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.682 6.972 3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.016 8.002 5.281 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.123 6.227 5.353 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.651 7.053 5.917 1.00 0.00 H new ATOM 1081 N ALA A 75 -7.573 9.382 3.629 1.00 0.00 N ATOM 1082 CA ALA A 75 -6.844 10.621 3.385 1.00 0.00 C ATOM 1083 C ALA A 75 -5.708 10.797 4.386 1.00 0.00 C ATOM 1084 O ALA A 75 -4.593 11.163 4.016 1.00 0.00 O ATOM 1085 CB ALA A 75 -7.790 11.810 3.444 1.00 0.00 C ATOM 0 H ALA A 75 -8.546 9.512 3.906 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.408 10.566 2.387 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.232 12.728 3.260 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.564 11.697 2.685 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.253 11.858 4.430 1.00 0.00 H new ATOM 1091 N GLU A 76 -5.999 10.534 5.657 1.00 0.00 N ATOM 1092 CA GLU A 76 -5.000 10.664 6.711 1.00 0.00 C ATOM 1093 C GLU A 76 -3.734 9.888 6.361 1.00 0.00 C ATOM 1094 O GLU A 76 -2.621 10.391 6.522 1.00 0.00 O ATOM 1095 CB GLU A 76 -5.565 10.166 8.043 1.00 0.00 C ATOM 1096 CG GLU A 76 -6.146 8.764 7.972 1.00 0.00 C ATOM 1097 CD GLU A 76 -6.611 8.256 9.322 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -5.886 8.464 10.317 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -7.701 7.649 9.383 1.00 0.00 O ATOM 0 H GLU A 76 -6.917 10.230 5.981 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.743 11.719 6.805 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.774 10.185 8.793 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.340 10.855 8.379 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.986 8.758 7.277 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.395 8.083 7.571 1.00 0.00 H new ATOM 1106 N ILE A 77 -3.911 8.662 5.882 1.00 0.00 N ATOM 1107 CA ILE A 77 -2.785 7.817 5.509 1.00 0.00 C ATOM 1108 C ILE A 77 -2.209 8.233 4.159 1.00 0.00 C ATOM 1109 O ILE A 77 -1.030 8.567 4.053 1.00 0.00 O ATOM 1110 CB ILE A 77 -3.190 6.333 5.445 1.00 0.00 C ATOM 1111 CG1 ILE A 77 -3.584 5.830 6.835 1.00 0.00 C ATOM 1112 CG2 ILE A 77 -2.053 5.496 4.877 1.00 0.00 C ATOM 1113 CD1 ILE A 77 -2.490 5.988 7.868 1.00 0.00 C ATOM 0 H ILE A 77 -4.825 8.231 5.743 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.026 7.945 6.281 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.052 6.236 4.785 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.470 6.370 7.170 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.859 4.777 6.767 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.356 4.450 4.839 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.814 5.842 3.871 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.174 5.596 5.514 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.840 5.611 8.829 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.610 5.425 7.555 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.231 7.042 7.965 1.00 0.00 H new ATOM 1125 N MET A 78 -3.050 8.211 3.131 1.00 0.00 N ATOM 1126 CA MET A 78 -2.626 8.589 1.788 1.00 0.00 C ATOM 1127 C MET A 78 -1.585 9.703 1.840 1.00 0.00 C ATOM 1128 O MET A 78 -0.481 9.557 1.317 1.00 0.00 O ATOM 1129 CB MET A 78 -3.830 9.038 0.957 1.00 0.00 C ATOM 1130 CG MET A 78 -3.509 9.246 -0.514 1.00 0.00 C ATOM 1131 SD MET A 78 -2.798 7.779 -1.285 1.00 0.00 S ATOM 1132 CE MET A 78 -1.817 8.522 -2.587 1.00 0.00 C ATOM 0 H MET A 78 -4.029 7.935 3.202 1.00 0.00 H new ATOM 0 HA MET A 78 -2.175 7.716 1.317 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.621 8.293 1.046 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.220 9.968 1.370 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.419 9.525 -1.044 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.813 10.079 -0.616 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.429 7.741 -3.241 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.439 9.204 -3.167 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.986 9.073 -2.147 1.00 0.00 H new ATOM 1142 N GLN A 79 -1.947 10.814 2.473 1.00 0.00 N ATOM 1143 CA GLN A 79 -1.043 11.953 2.592 1.00 0.00 C ATOM 1144 C GLN A 79 0.399 11.488 2.766 1.00 0.00 C ATOM 1145 O GLN A 79 1.301 11.961 2.074 1.00 0.00 O ATOM 1146 CB GLN A 79 -1.453 12.836 3.772 1.00 0.00 C ATOM 1147 CG GLN A 79 -0.940 14.263 3.672 1.00 0.00 C ATOM 1148 CD GLN A 79 -1.570 15.183 4.699 1.00 0.00 C ATOM 1149 OE1 GLN A 79 -2.511 14.802 5.396 1.00 0.00 O ATOM 1150 NE2 GLN A 79 -1.054 16.402 4.798 1.00 0.00 N ATOM 0 H GLN A 79 -2.858 10.950 2.911 1.00 0.00 H new ATOM 0 HA GLN A 79 -1.109 12.534 1.672 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.541 12.854 3.841 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.083 12.390 4.695 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.142 14.266 3.803 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.142 14.648 2.672 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.274 16.676 4.200 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.437 17.065 5.472 1.00 0.00 H new ATOM 1159 N ARG A 80 0.608 10.561 3.694 1.00 0.00 N ATOM 1160 CA ARG A 80 1.941 10.033 3.960 1.00 0.00 C ATOM 1161 C ARG A 80 2.618 9.591 2.666 1.00 0.00 C ATOM 1162 O ARG A 80 3.732 10.015 2.360 1.00 0.00 O ATOM 1163 CB ARG A 80 1.863 8.857 4.936 1.00 0.00 C ATOM 1164 CG ARG A 80 1.408 9.254 6.331 1.00 0.00 C ATOM 1165 CD ARG A 80 0.814 8.071 7.079 1.00 0.00 C ATOM 1166 NE ARG A 80 0.033 8.493 8.239 1.00 0.00 N ATOM 1167 CZ ARG A 80 0.543 8.628 9.459 1.00 0.00 C ATOM 1168 NH1 ARG A 80 1.827 8.374 9.676 1.00 0.00 N ATOM 1169 NH2 ARG A 80 -0.231 9.017 10.463 1.00 0.00 N ATOM 0 H ARG A 80 -0.128 10.160 4.275 1.00 0.00 H new ATOM 0 HA ARG A 80 2.537 10.828 4.409 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.176 8.110 4.538 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.843 8.385 5.003 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.254 9.653 6.891 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.668 10.051 6.261 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.179 7.497 6.404 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.616 7.408 7.404 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.958 8.695 8.106 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.425 8.074 8.906 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.216 8.478 10.613 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.219 9.213 10.299 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.161 9.120 11.399 1.00 0.00 H new ATOM 1183 N TYR A 81 1.938 8.735 1.912 1.00 0.00 N ATOM 1184 CA TYR A 81 2.475 8.231 0.653 1.00 0.00 C ATOM 1185 C TYR A 81 2.955 9.378 -0.232 1.00 0.00 C ATOM 1186 O TYR A 81 4.117 9.425 -0.633 1.00 0.00 O ATOM 1187 CB TYR A 81 1.416 7.411 -0.086 1.00 0.00 C ATOM 1188 CG TYR A 81 1.904 6.829 -1.394 1.00 0.00 C ATOM 1189 CD1 TYR A 81 2.948 5.913 -1.423 1.00 0.00 C ATOM 1190 CD2 TYR A 81 1.322 7.199 -2.600 1.00 0.00 C ATOM 1191 CE1 TYR A 81 3.397 5.380 -2.616 1.00 0.00 C ATOM 1192 CE2 TYR A 81 1.764 6.670 -3.798 1.00 0.00 C ATOM 1193 CZ TYR A 81 2.803 5.761 -3.800 1.00 0.00 C ATOM 1194 OH TYR A 81 3.246 5.233 -4.991 1.00 0.00 O ATOM 0 H TYR A 81 1.014 8.375 2.150 1.00 0.00 H new ATOM 0 HA TYR A 81 3.327 7.590 0.881 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.081 6.600 0.560 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.549 8.043 -0.280 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.417 5.612 -0.497 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.511 7.912 -2.601 1.00 0.00 H new ATOM 0 HE1 TYR A 81 4.209 4.668 -2.621 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.299 6.966 -4.727 1.00 0.00 H new ATOM 0 HH TYR A 81 2.720 5.605 -5.730 1.00 0.00 H new ATOM 1204 N LYS A 82 2.048 10.302 -0.533 1.00 0.00 N ATOM 1205 CA LYS A 82 2.376 11.452 -1.369 1.00 0.00 C ATOM 1206 C LYS A 82 3.678 12.102 -0.913 1.00 0.00 C ATOM 1207 O LYS A 82 4.529 12.452 -1.730 1.00 0.00 O ATOM 1208 CB LYS A 82 1.240 12.477 -1.331 1.00 0.00 C ATOM 1209 CG LYS A 82 0.094 12.149 -2.272 1.00 0.00 C ATOM 1210 CD LYS A 82 -0.837 13.337 -2.452 1.00 0.00 C ATOM 1211 CE LYS A 82 -1.897 13.384 -1.363 1.00 0.00 C ATOM 1212 NZ LYS A 82 -1.446 14.172 -0.182 1.00 0.00 N ATOM 0 H LYS A 82 1.081 10.277 -0.211 1.00 0.00 H new ATOM 0 HA LYS A 82 2.505 11.101 -2.393 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.856 12.544 -0.313 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.639 13.459 -1.586 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.492 11.848 -3.241 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.468 11.301 -1.881 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.258 14.260 -2.437 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.319 13.278 -3.428 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.811 13.822 -1.764 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.141 12.369 -1.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.110 14.028 0.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.497 13.857 0.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.416 15.182 -0.429 1.00 0.00 H new ATOM 1226 N LYS A 83 3.827 12.262 0.398 1.00 0.00 N ATOM 1227 CA LYS A 83 5.026 12.868 0.964 1.00 0.00 C ATOM 1228 C LYS A 83 6.280 12.150 0.477 1.00 0.00 C ATOM 1229 O LYS A 83 7.235 12.784 0.025 1.00 0.00 O ATOM 1230 CB LYS A 83 4.967 12.834 2.493 1.00 0.00 C ATOM 1231 CG LYS A 83 5.711 13.978 3.157 1.00 0.00 C ATOM 1232 CD LYS A 83 4.990 15.301 2.962 1.00 0.00 C ATOM 1233 CE LYS A 83 5.614 16.405 3.801 1.00 0.00 C ATOM 1234 NZ LYS A 83 4.970 17.725 3.549 1.00 0.00 N ATOM 0 H LYS A 83 3.131 11.980 1.089 1.00 0.00 H new ATOM 0 HA LYS A 83 5.070 13.905 0.631 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.924 12.859 2.808 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.383 11.889 2.843 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.817 13.774 4.223 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.717 14.047 2.744 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.021 15.581 1.909 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.940 15.187 3.231 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.524 16.153 4.858 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.679 16.472 3.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.424 18.451 4.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.078 17.978 2.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.959 17.669 3.785 1.00 0.00 H new ATOM 1248 N LEU A 84 6.273 10.825 0.571 1.00 0.00 N ATOM 1249 CA LEU A 84 7.410 10.021 0.138 1.00 0.00 C ATOM 1250 C LEU A 84 7.732 10.279 -1.330 1.00 0.00 C ATOM 1251 O LEU A 84 8.895 10.432 -1.702 1.00 0.00 O ATOM 1252 CB LEU A 84 7.120 8.534 0.355 1.00 0.00 C ATOM 1253 CG LEU A 84 6.888 8.099 1.802 1.00 0.00 C ATOM 1254 CD1 LEU A 84 6.391 6.663 1.855 1.00 0.00 C ATOM 1255 CD2 LEU A 84 8.164 8.256 2.617 1.00 0.00 C ATOM 0 H LEU A 84 5.492 10.285 0.943 1.00 0.00 H new ATOM 0 HA LEU A 84 8.275 10.308 0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.239 8.267 -0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.955 7.959 -0.047 1.00 0.00 H new ATOM 0 HG LEU A 84 6.122 8.742 2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.232 6.371 2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.452 6.582 1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.133 6.004 1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.980 7.942 3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.951 7.638 2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.476 9.300 2.607 1.00 0.00 H new ATOM 1267 N GLN A 85 6.694 10.329 -2.159 1.00 0.00 N ATOM 1268 CA GLN A 85 6.868 10.571 -3.586 1.00 0.00 C ATOM 1269 C GLN A 85 7.594 11.890 -3.830 1.00 0.00 C ATOM 1270 O GLN A 85 8.509 11.964 -4.650 1.00 0.00 O ATOM 1271 CB GLN A 85 5.511 10.584 -4.291 1.00 0.00 C ATOM 1272 CG GLN A 85 4.754 9.269 -4.180 1.00 0.00 C ATOM 1273 CD GLN A 85 5.146 8.277 -5.258 1.00 0.00 C ATOM 1274 OE1 GLN A 85 4.487 8.176 -6.293 1.00 0.00 O ATOM 1275 NE2 GLN A 85 6.223 7.539 -5.020 1.00 0.00 N ATOM 0 H GLN A 85 5.725 10.205 -1.867 1.00 0.00 H new ATOM 0 HA GLN A 85 7.474 9.763 -3.995 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.900 11.382 -3.870 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.661 10.820 -5.345 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.941 8.828 -3.201 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.683 9.464 -4.243 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.739 7.656 -4.148 1.00 0.00 H new ATOM 0 HE22 GLN A 85 6.535 6.855 -5.709 1.00 0.00 H new ATOM 1284 N PHE A 86 7.178 12.929 -3.115 1.00 0.00 N ATOM 1285 CA PHE A 86 7.788 14.247 -3.255 1.00 0.00 C ATOM 1286 C PHE A 86 9.278 14.194 -2.929 1.00 0.00 C ATOM 1287 O PHE A 86 10.107 14.700 -3.685 1.00 0.00 O ATOM 1288 CB PHE A 86 7.090 15.255 -2.339 1.00 0.00 C ATOM 1289 CG PHE A 86 7.664 16.640 -2.425 1.00 0.00 C ATOM 1290 CD1 PHE A 86 7.174 17.552 -3.346 1.00 0.00 C ATOM 1291 CD2 PHE A 86 8.696 17.030 -1.586 1.00 0.00 C ATOM 1292 CE1 PHE A 86 7.700 18.828 -3.426 1.00 0.00 C ATOM 1293 CE2 PHE A 86 9.225 18.304 -1.662 1.00 0.00 C ATOM 1294 CZ PHE A 86 8.729 19.203 -2.585 1.00 0.00 C ATOM 0 H PHE A 86 6.421 12.885 -2.433 1.00 0.00 H new ATOM 0 HA PHE A 86 7.671 14.566 -4.291 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.031 15.293 -2.594 1.00 0.00 H new ATOM 0 HB3 PHE A 86 7.158 14.905 -1.309 1.00 0.00 H new ATOM 0 HD1 PHE A 86 6.372 17.263 -4.009 1.00 0.00 H new ATOM 0 HD2 PHE A 86 9.091 16.330 -0.865 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.307 19.531 -4.146 1.00 0.00 H new ATOM 0 HE2 PHE A 86 10.026 18.597 -1.000 1.00 0.00 H new ATOM 0 HZ PHE A 86 9.145 20.198 -2.649 1.00 0.00 H new