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 8 CYS SG : rot 161:sc= 0.503 USER MOD Set 1.2: A 11 CYS SG : rot -45:sc= 1.09 USER MOD Set 1.3: A 15 TYR OH : rot 2:sc= 1.41 USER MOD Set 1.4: A 31 CYS SG : rot -144:sc= -0.0549 USER MOD Set 1.5: A 34 CYS SG : rot 83:sc= 1.17 USER MOD Set 2.1: A 26 CYS SG : rot 114:sc= -0.291 USER MOD Set 2.2: A 28 CYS SG : rot 47:sc= 1.19 USER MOD Set 2.3: A 53 CYS SG : rot -169:sc= -1.49 USER MOD Set 2.4: A 58 CYS SG : rot 113:sc= 1.16 USER MOD Set 3.1: A 25 GLN : amide:sc= -0.697 K(o=-0.41,f=-7.4!) USER MOD Set 3.2: A 60 LYS NZ :NH3+ 172:sc= 0.286 (180deg=-0.00179) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 168:sc=-0.00715 (180deg=-0.138) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl -137:sc= -1.01 (180deg=-5.18!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 27 GLN : amide:sc=-0.000812 X(o=-0.00081,f=-0.011) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 148:sc= 0.0286 (180deg=-0.0713) USER MOD Single : A 37 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.37) USER MOD Single : A 38 TYR OH : rot -166:sc= 1 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0701 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -7.23! C(o=-7.2!,f=-4.2!) USER MOD Single : A 65 GLN : amide:sc=-0.00927 X(o=-0.0093,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.798 K(o=-0.8,f=-0.067) USER MOD Single : A 71 CYS SG : rot -20:sc= 0.0333 USER MOD Single : A 72 MET CE :methyl 174:sc= -2.21! (180deg=-2.64!) USER MOD Single : A 78 MET CE :methyl -117:sc= -0.141 (180deg=-0.715) USER MOD Single : A 79 GLN : amide:sc= -0.13 K(o=-0.13,f=-1.9!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -1.56 K(o=-1.6,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 -12.345 -16.873 -3.114 1.00 0.00 N ATOM 49 CA SER A 6 -11.206 -16.882 -4.025 1.00 0.00 C ATOM 50 C SER A 6 -9.940 -17.338 -3.306 1.00 0.00 C ATOM 51 O SER A 6 -8.969 -17.751 -3.939 1.00 0.00 O ATOM 52 CB SER A 6 -10.993 -15.490 -4.623 1.00 0.00 C ATOM 53 OG SER A 6 -11.773 -15.314 -5.792 1.00 0.00 O ATOM 0 HA SER A 6 -11.421 -17.586 -4.829 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.257 -14.730 -3.888 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.939 -15.350 -4.861 1.00 0.00 H new ATOM 0 HG SER A 6 -11.621 -14.416 -6.155 1.00 0.00 H new ATOM 59 N GLY A 7 -9.958 -17.259 -1.979 1.00 0.00 N ATOM 60 CA GLY A 7 -8.807 -17.666 -1.195 1.00 0.00 C ATOM 61 C GLY A 7 -7.657 -16.685 -1.300 1.00 0.00 C ATOM 62 O GLY A 7 -7.358 -16.180 -2.383 1.00 0.00 O ATOM 0 H GLY A 7 -10.750 -16.920 -1.433 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.100 -17.766 -0.150 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.474 -18.649 -1.528 1.00 0.00 H new ATOM 66 N CYS A 8 -7.011 -16.410 -0.172 1.00 0.00 N ATOM 67 CA CYS A 8 -5.889 -15.480 -0.140 1.00 0.00 C ATOM 68 C CYS A 8 -4.560 -16.227 -0.204 1.00 0.00 C ATOM 69 O CYS A 8 -4.511 -17.445 -0.027 1.00 0.00 O ATOM 70 CB CYS A 8 -5.945 -14.624 1.127 1.00 0.00 C ATOM 71 SG CYS A 8 -4.839 -13.177 1.097 1.00 0.00 S ATOM 0 H CYS A 8 -7.246 -16.818 0.733 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.963 -14.831 -1.013 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.969 -14.282 1.276 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.688 -15.246 1.984 1.00 0.00 H new ATOM 0 HG CYS A 8 -5.230 -12.314 1.987 1.00 0.00 H new ATOM 76 N LYS A 9 -3.485 -15.490 -0.460 1.00 0.00 N ATOM 77 CA LYS A 9 -2.154 -16.081 -0.545 1.00 0.00 C ATOM 78 C LYS A 9 -1.339 -15.769 0.704 1.00 0.00 C ATOM 79 O LYS A 9 -0.312 -16.399 0.961 1.00 0.00 O ATOM 80 CB LYS A 9 -1.424 -15.564 -1.786 1.00 0.00 C ATOM 81 CG LYS A 9 -1.698 -16.381 -3.038 1.00 0.00 C ATOM 82 CD LYS A 9 -0.987 -15.801 -4.249 1.00 0.00 C ATOM 83 CE LYS A 9 -1.410 -16.500 -5.532 1.00 0.00 C ATOM 84 NZ LYS A 9 -2.813 -16.170 -5.907 1.00 0.00 N ATOM 0 H LYS A 9 -3.509 -14.482 -0.612 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.268 -17.162 -0.621 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.718 -14.530 -1.966 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.351 -15.561 -1.592 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.372 -17.409 -2.881 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.771 -16.412 -3.226 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.205 -14.736 -4.325 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.091 -15.897 -4.120 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.740 -16.210 -6.341 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.311 -17.578 -5.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.998 -16.494 -6.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.468 -16.644 -5.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.954 -15.141 -5.853 1.00 0.00 H new ATOM 98 N LEU A 10 -1.802 -14.796 1.480 1.00 0.00 N ATOM 99 CA LEU A 10 -1.115 -14.401 2.706 1.00 0.00 C ATOM 100 C LEU A 10 -1.795 -15.006 3.929 1.00 0.00 C ATOM 101 O LEU A 10 -1.190 -15.784 4.668 1.00 0.00 O ATOM 102 CB LEU A 10 -1.083 -12.876 2.827 1.00 0.00 C ATOM 103 CG LEU A 10 -0.472 -12.121 1.646 1.00 0.00 C ATOM 104 CD1 LEU A 10 -1.118 -10.753 1.495 1.00 0.00 C ATOM 105 CD2 LEU A 10 1.033 -11.985 1.822 1.00 0.00 C ATOM 0 H LEU A 10 -2.650 -14.265 1.283 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.093 -14.777 2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.104 -12.522 2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.526 -12.615 3.727 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.662 -12.692 0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.670 -10.231 0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.188 -10.873 1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.960 -10.174 2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.451 -11.445 0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.244 -11.436 2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.484 -12.976 1.880 1.00 0.00 H new ATOM 117 N CYS A 11 -3.057 -14.645 4.138 1.00 0.00 N ATOM 118 CA CYS A 11 -3.820 -15.154 5.272 1.00 0.00 C ATOM 119 C CYS A 11 -4.580 -16.421 4.891 1.00 0.00 C ATOM 120 O CYS A 11 -5.350 -16.959 5.687 1.00 0.00 O ATOM 121 CB CYS A 11 -4.799 -14.089 5.771 1.00 0.00 C ATOM 122 SG CYS A 11 -6.120 -13.679 4.587 1.00 0.00 S ATOM 0 H CYS A 11 -3.573 -14.002 3.537 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.120 -15.398 6.071 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.253 -14.435 6.700 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.243 -13.182 6.007 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.610 -13.539 3.399 1.00 0.00 H new ATOM 127 N LEU A 12 -4.359 -16.892 3.669 1.00 0.00 N ATOM 128 CA LEU A 12 -5.021 -18.097 3.181 1.00 0.00 C ATOM 129 C LEU A 12 -6.448 -18.186 3.713 1.00 0.00 C ATOM 130 O LEU A 12 -6.874 -19.229 4.206 1.00 0.00 O ATOM 131 CB LEU A 12 -4.232 -19.339 3.595 1.00 0.00 C ATOM 132 CG LEU A 12 -2.870 -19.523 2.925 1.00 0.00 C ATOM 133 CD1 LEU A 12 -3.039 -19.831 1.446 1.00 0.00 C ATOM 134 CD2 LEU A 12 -2.009 -18.283 3.119 1.00 0.00 C ATOM 0 H LEU A 12 -3.726 -16.458 2.997 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.060 -18.046 2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.082 -19.307 4.674 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.840 -20.218 3.384 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.367 -20.368 3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.059 -19.959 0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.617 -20.748 1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.563 -19.008 0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.043 -18.431 2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.508 -17.421 2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.859 -18.108 4.184 1.00 0.00 H new ATOM 146 N GLY A 13 -7.184 -17.083 3.606 1.00 0.00 N ATOM 147 CA GLY A 13 -8.556 -17.059 4.078 1.00 0.00 C ATOM 148 C GLY A 13 -9.561 -17.087 2.944 1.00 0.00 C ATOM 149 O GLY A 13 -9.278 -16.610 1.845 1.00 0.00 O ATOM 0 H GLY A 13 -6.854 -16.207 3.201 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.727 -17.914 4.732 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.715 -16.163 4.678 1.00 0.00 H new ATOM 153 N GLU A 14 -10.736 -17.647 3.209 1.00 0.00 N ATOM 154 CA GLU A 14 -11.785 -17.737 2.199 1.00 0.00 C ATOM 155 C GLU A 14 -12.750 -16.561 2.312 1.00 0.00 C ATOM 156 O GLU A 14 -13.688 -16.586 3.110 1.00 0.00 O ATOM 157 CB GLU A 14 -12.550 -19.054 2.342 1.00 0.00 C ATOM 158 CG GLU A 14 -11.933 -20.205 1.565 1.00 0.00 C ATOM 159 CD GLU A 14 -10.899 -20.965 2.371 1.00 0.00 C ATOM 160 OE1 GLU A 14 -10.237 -20.342 3.227 1.00 0.00 O ATOM 161 OE2 GLU A 14 -10.752 -22.185 2.146 1.00 0.00 O ATOM 0 H GLU A 14 -10.986 -18.045 4.114 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.313 -17.705 1.217 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.598 -19.324 3.397 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.576 -18.907 2.004 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.720 -20.891 1.253 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.469 -19.818 0.658 1.00 0.00 H new ATOM 168 N TYR A 15 -12.514 -15.531 1.508 1.00 0.00 N ATOM 169 CA TYR A 15 -13.359 -14.343 1.518 1.00 0.00 C ATOM 170 C TYR A 15 -14.090 -14.183 0.188 1.00 0.00 C ATOM 171 O TYR A 15 -13.604 -14.586 -0.869 1.00 0.00 O ATOM 172 CB TYR A 15 -12.521 -13.096 1.805 1.00 0.00 C ATOM 173 CG TYR A 15 -11.518 -13.284 2.921 1.00 0.00 C ATOM 174 CD1 TYR A 15 -10.267 -13.837 2.671 1.00 0.00 C ATOM 175 CD2 TYR A 15 -11.821 -12.912 4.224 1.00 0.00 C ATOM 176 CE1 TYR A 15 -9.348 -14.013 3.688 1.00 0.00 C ATOM 177 CE2 TYR A 15 -10.908 -13.082 5.247 1.00 0.00 C ATOM 178 CZ TYR A 15 -9.673 -13.633 4.973 1.00 0.00 C ATOM 179 OH TYR A 15 -8.761 -13.805 5.989 1.00 0.00 O ATOM 0 H TYR A 15 -11.744 -15.495 0.840 1.00 0.00 H new ATOM 0 HA TYR A 15 -14.100 -14.463 2.308 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.992 -12.807 0.897 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -13.187 -12.272 2.061 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -10.009 -14.134 1.665 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -12.788 -12.482 4.442 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.381 -14.446 3.478 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.159 -12.786 6.255 1.00 0.00 H new ATOM 0 HH TYR A 15 -7.931 -14.176 5.624 1.00 0.00 H new ATOM 189 N PRO A 16 -15.286 -13.578 0.240 1.00 0.00 N ATOM 190 CA PRO A 16 -16.110 -13.348 -0.951 1.00 0.00 C ATOM 191 C PRO A 16 -15.509 -12.296 -1.876 1.00 0.00 C ATOM 192 O PRO A 16 -14.985 -11.280 -1.421 1.00 0.00 O ATOM 193 CB PRO A 16 -17.440 -12.856 -0.373 1.00 0.00 C ATOM 194 CG PRO A 16 -17.083 -12.262 0.946 1.00 0.00 C ATOM 195 CD PRO A 16 -15.927 -13.072 1.466 1.00 0.00 C ATOM 0 HA PRO A 16 -16.202 -14.245 -1.563 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -17.907 -12.119 -1.026 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -18.150 -13.676 -0.259 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -16.808 -11.213 0.840 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.928 -12.302 1.633 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.242 -12.462 2.055 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -16.263 -13.886 2.109 1.00 0.00 H new ATOM 203 N VAL A 17 -15.590 -12.546 -3.180 1.00 0.00 N ATOM 204 CA VAL A 17 -15.056 -11.619 -4.171 1.00 0.00 C ATOM 205 C VAL A 17 -15.475 -10.186 -3.864 1.00 0.00 C ATOM 206 O VAL A 17 -14.798 -9.235 -4.254 1.00 0.00 O ATOM 207 CB VAL A 17 -15.524 -11.986 -5.592 1.00 0.00 C ATOM 208 CG1 VAL A 17 -14.965 -13.339 -6.006 1.00 0.00 C ATOM 209 CG2 VAL A 17 -17.043 -11.981 -5.670 1.00 0.00 C ATOM 0 H VAL A 17 -16.020 -13.383 -3.574 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.970 -11.695 -4.123 1.00 0.00 H new ATOM 0 HB VAL A 17 -15.145 -11.236 -6.286 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -15.306 -13.581 -7.012 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -13.876 -13.303 -5.991 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -15.312 -14.104 -5.311 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -17.356 -12.242 -6.681 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -17.446 -12.709 -4.966 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -17.417 -10.988 -5.420 1.00 0.00 H new ATOM 219 N GLU A 18 -16.594 -10.040 -3.162 1.00 0.00 N ATOM 220 CA GLU A 18 -17.102 -8.720 -2.802 1.00 0.00 C ATOM 221 C GLU A 18 -16.050 -7.922 -2.037 1.00 0.00 C ATOM 222 O GLU A 18 -15.879 -6.725 -2.265 1.00 0.00 O ATOM 223 CB GLU A 18 -18.372 -8.851 -1.960 1.00 0.00 C ATOM 224 CG GLU A 18 -19.122 -7.542 -1.783 1.00 0.00 C ATOM 225 CD GLU A 18 -20.260 -7.651 -0.786 1.00 0.00 C ATOM 226 OE1 GLU A 18 -21.131 -8.526 -0.973 1.00 0.00 O ATOM 227 OE2 GLU A 18 -20.279 -6.862 0.182 1.00 0.00 O ATOM 0 H GLU A 18 -17.166 -10.817 -2.831 1.00 0.00 H new ATOM 0 HA GLU A 18 -17.339 -8.186 -3.722 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -19.035 -9.579 -2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -18.108 -9.244 -0.978 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -18.426 -6.771 -1.452 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -19.518 -7.221 -2.747 1.00 0.00 H new ATOM 234 N GLN A 19 -15.350 -8.594 -1.131 1.00 0.00 N ATOM 235 CA GLN A 19 -14.316 -7.948 -0.330 1.00 0.00 C ATOM 236 C GLN A 19 -12.925 -8.370 -0.794 1.00 0.00 C ATOM 237 O GLN A 19 -12.058 -8.683 0.022 1.00 0.00 O ATOM 238 CB GLN A 19 -14.498 -8.288 1.149 1.00 0.00 C ATOM 239 CG GLN A 19 -15.712 -7.625 1.780 1.00 0.00 C ATOM 240 CD GLN A 19 -16.259 -8.409 2.958 1.00 0.00 C ATOM 241 OE1 GLN A 19 -17.381 -8.911 2.917 1.00 0.00 O ATOM 242 NE2 GLN A 19 -15.465 -8.515 4.017 1.00 0.00 N ATOM 0 H GLN A 19 -15.479 -9.586 -0.932 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.412 -6.870 -0.461 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.588 -9.369 1.257 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.604 -7.986 1.695 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.443 -6.622 2.110 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -16.493 -7.515 1.028 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.541 -8.082 4.007 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.779 -9.029 4.840 1.00 0.00 H new ATOM 251 N MET A 20 -12.721 -8.377 -2.107 1.00 0.00 N ATOM 252 CA MET A 20 -11.435 -8.760 -2.678 1.00 0.00 C ATOM 253 C MET A 20 -11.038 -7.814 -3.806 1.00 0.00 C ATOM 254 O MET A 20 -11.891 -7.190 -4.437 1.00 0.00 O ATOM 255 CB MET A 20 -11.492 -10.198 -3.198 1.00 0.00 C ATOM 256 CG MET A 20 -11.930 -11.206 -2.149 1.00 0.00 C ATOM 257 SD MET A 20 -10.631 -11.571 -0.952 1.00 0.00 S ATOM 258 CE MET A 20 -9.476 -12.484 -1.972 1.00 0.00 C ATOM 0 H MET A 20 -13.429 -8.122 -2.795 1.00 0.00 H new ATOM 0 HA MET A 20 -10.683 -8.695 -1.892 1.00 0.00 H new ATOM 0 HB2 MET A 20 -12.179 -10.243 -4.043 1.00 0.00 H new ATOM 0 HB3 MET A 20 -10.508 -10.480 -3.572 1.00 0.00 H new ATOM 0 HG2 MET A 20 -12.805 -10.822 -1.624 1.00 0.00 H new ATOM 0 HG3 MET A 20 -12.234 -12.129 -2.642 1.00 0.00 H new ATOM 0 HE1 MET A 20 -9.108 -13.349 -1.420 1.00 0.00 H new ATOM 0 HE2 MET A 20 -9.978 -12.820 -2.879 1.00 0.00 H new ATOM 0 HE3 MET A 20 -8.638 -11.840 -2.239 1.00 0.00 H new ATOM 268 N THR A 21 -9.736 -7.713 -4.057 1.00 0.00 N ATOM 269 CA THR A 21 -9.226 -6.842 -5.108 1.00 0.00 C ATOM 270 C THR A 21 -8.203 -7.567 -5.975 1.00 0.00 C ATOM 271 O THR A 21 -7.398 -8.355 -5.477 1.00 0.00 O ATOM 272 CB THR A 21 -8.578 -5.573 -4.522 1.00 0.00 C ATOM 273 OG1 THR A 21 -9.527 -4.864 -3.719 1.00 0.00 O ATOM 274 CG2 THR A 21 -8.065 -4.665 -5.631 1.00 0.00 C ATOM 0 H THR A 21 -9.016 -8.224 -3.546 1.00 0.00 H new ATOM 0 HA THR A 21 -10.080 -6.555 -5.721 1.00 0.00 H new ATOM 0 HB THR A 21 -7.734 -5.876 -3.903 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.107 -4.060 -3.349 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.612 -3.776 -5.193 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.320 -5.198 -6.222 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.895 -4.370 -6.273 1.00 0.00 H new ATOM 282 N THR A 22 -8.239 -7.297 -7.276 1.00 0.00 N ATOM 283 CA THR A 22 -7.315 -7.925 -8.213 1.00 0.00 C ATOM 284 C THR A 22 -6.391 -6.893 -8.849 1.00 0.00 C ATOM 285 O THR A 22 -6.841 -5.842 -9.308 1.00 0.00 O ATOM 286 CB THR A 22 -8.069 -8.678 -9.326 1.00 0.00 C ATOM 287 OG1 THR A 22 -8.907 -9.687 -8.753 1.00 0.00 O ATOM 288 CG2 THR A 22 -7.093 -9.315 -10.304 1.00 0.00 C ATOM 0 H THR A 22 -8.898 -6.648 -7.705 1.00 0.00 H new ATOM 0 HA THR A 22 -6.720 -8.637 -7.641 1.00 0.00 H new ATOM 0 HB THR A 22 -8.685 -7.961 -9.868 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.384 -10.160 -9.466 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.648 -9.841 -11.081 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.477 -8.540 -10.760 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.454 -10.021 -9.773 1.00 0.00 H new ATOM 296 N ILE A 23 -5.098 -7.199 -8.874 1.00 0.00 N ATOM 297 CA ILE A 23 -4.112 -6.298 -9.456 1.00 0.00 C ATOM 298 C ILE A 23 -3.957 -6.544 -10.952 1.00 0.00 C ATOM 299 O ILE A 23 -3.705 -7.669 -11.384 1.00 0.00 O ATOM 300 CB ILE A 23 -2.738 -6.452 -8.777 1.00 0.00 C ATOM 301 CG1 ILE A 23 -2.909 -6.639 -7.268 1.00 0.00 C ATOM 302 CG2 ILE A 23 -1.863 -5.243 -9.071 1.00 0.00 C ATOM 303 CD1 ILE A 23 -1.691 -7.227 -6.590 1.00 0.00 C ATOM 0 H ILE A 23 -4.709 -8.064 -8.498 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.477 -5.284 -9.293 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.247 -7.337 -9.181 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.137 -5.675 -6.814 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.765 -7.288 -7.085 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.896 -5.367 -8.584 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.719 -5.152 -10.148 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.347 -4.343 -8.692 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.884 -7.331 -5.522 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.474 -8.206 -7.017 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.836 -6.568 -6.742 1.00 0.00 H new ATOM 315 N ALA A 24 -4.107 -5.484 -11.741 1.00 0.00 N ATOM 316 CA ALA A 24 -3.981 -5.585 -13.190 1.00 0.00 C ATOM 317 C ALA A 24 -2.516 -5.640 -13.609 1.00 0.00 C ATOM 318 O ALA A 24 -2.206 -5.719 -14.798 1.00 0.00 O ATOM 319 CB ALA A 24 -4.683 -4.415 -13.863 1.00 0.00 C ATOM 0 H ALA A 24 -4.316 -4.546 -11.400 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.458 -6.512 -13.510 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.581 -4.503 -14.945 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.740 -4.423 -13.596 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.232 -3.480 -13.531 1.00 0.00 H new ATOM 325 N GLN A 25 -1.622 -5.596 -12.627 1.00 0.00 N ATOM 326 CA GLN A 25 -0.189 -5.638 -12.898 1.00 0.00 C ATOM 327 C GLN A 25 0.300 -7.078 -13.015 1.00 0.00 C ATOM 328 O GLN A 25 0.812 -7.488 -14.058 1.00 0.00 O ATOM 329 CB GLN A 25 0.582 -4.914 -11.793 1.00 0.00 C ATOM 330 CG GLN A 25 0.839 -3.446 -12.092 1.00 0.00 C ATOM 331 CD GLN A 25 1.839 -3.246 -13.213 1.00 0.00 C ATOM 332 OE1 GLN A 25 1.961 -4.083 -14.108 1.00 0.00 O ATOM 333 NE2 GLN A 25 2.561 -2.132 -13.171 1.00 0.00 N ATOM 0 H GLN A 25 -1.863 -5.531 -11.638 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.009 -5.133 -13.847 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.024 -4.994 -10.860 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.536 -5.417 -11.638 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.101 -2.963 -12.358 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.206 -2.954 -11.191 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.427 -1.466 -12.410 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.250 -1.943 -13.899 1.00 0.00 H new ATOM 342 N CYS A 26 0.138 -7.842 -11.940 1.00 0.00 N ATOM 343 CA CYS A 26 0.564 -9.236 -11.921 1.00 0.00 C ATOM 344 C CYS A 26 -0.634 -10.169 -11.763 1.00 0.00 C ATOM 345 O CYS A 26 -0.501 -11.286 -11.266 1.00 0.00 O ATOM 346 CB CYS A 26 1.561 -9.472 -10.784 1.00 0.00 C ATOM 347 SG CYS A 26 0.990 -8.879 -9.160 1.00 0.00 S ATOM 0 H CYS A 26 -0.286 -7.519 -11.070 1.00 0.00 H new ATOM 0 HA CYS A 26 1.050 -9.454 -12.872 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.772 -10.539 -10.716 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.500 -8.977 -11.030 1.00 0.00 H new ATOM 0 HG CYS A 26 0.812 -9.893 -8.366 1.00 0.00 H new ATOM 352 N GLN A 27 -1.802 -9.699 -12.191 1.00 0.00 N ATOM 353 CA GLN A 27 -3.023 -10.491 -12.097 1.00 0.00 C ATOM 354 C GLN A 27 -3.099 -11.216 -10.757 1.00 0.00 C ATOM 355 O GLN A 27 -3.582 -12.346 -10.678 1.00 0.00 O ATOM 356 CB GLN A 27 -3.090 -11.503 -13.242 1.00 0.00 C ATOM 357 CG GLN A 27 -3.522 -10.895 -14.567 1.00 0.00 C ATOM 358 CD GLN A 27 -5.019 -10.662 -14.641 1.00 0.00 C ATOM 359 OE1 GLN A 27 -5.809 -11.603 -14.571 1.00 0.00 O ATOM 360 NE2 GLN A 27 -5.416 -9.403 -14.782 1.00 0.00 N ATOM 0 H GLN A 27 -1.928 -8.776 -12.605 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.873 -9.812 -12.172 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.110 -11.964 -13.366 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.785 -12.298 -12.973 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.003 -9.948 -14.714 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.220 -11.554 -15.381 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.726 -8.654 -14.836 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.411 -9.185 -14.837 1.00 0.00 H new ATOM 369 N CYS A 28 -2.618 -10.560 -9.707 1.00 0.00 N ATOM 370 CA CYS A 28 -2.632 -11.141 -8.370 1.00 0.00 C ATOM 371 C CYS A 28 -3.816 -10.621 -7.562 1.00 0.00 C ATOM 372 O CYS A 28 -4.077 -9.419 -7.527 1.00 0.00 O ATOM 373 CB CYS A 28 -1.325 -10.825 -7.640 1.00 0.00 C ATOM 374 SG CYS A 28 0.102 -11.806 -8.210 1.00 0.00 S ATOM 0 H CYS A 28 -2.213 -9.625 -9.756 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.732 -12.222 -8.473 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.098 -9.766 -7.766 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.467 -10.996 -6.573 1.00 0.00 H new ATOM 0 HG CYS A 28 0.144 -11.797 -9.509 1.00 0.00 H new ATOM 379 N ILE A 29 -4.530 -11.536 -6.914 1.00 0.00 N ATOM 380 CA ILE A 29 -5.686 -11.169 -6.105 1.00 0.00 C ATOM 381 C ILE A 29 -5.382 -11.309 -4.617 1.00 0.00 C ATOM 382 O ILE A 29 -4.770 -12.287 -4.186 1.00 0.00 O ATOM 383 CB ILE A 29 -6.912 -12.036 -6.451 1.00 0.00 C ATOM 384 CG1 ILE A 29 -8.196 -11.212 -6.327 1.00 0.00 C ATOM 385 CG2 ILE A 29 -6.970 -13.256 -5.545 1.00 0.00 C ATOM 386 CD1 ILE A 29 -8.653 -11.016 -4.899 1.00 0.00 C ATOM 0 H ILE A 29 -4.328 -12.536 -6.933 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.912 -10.127 -6.331 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.819 -12.378 -7.482 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.038 -10.236 -6.786 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.989 -11.704 -6.889 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.841 -13.859 -5.801 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.066 -13.851 -5.677 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.044 -12.935 -4.506 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.568 -10.423 -4.888 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.844 -11.987 -4.442 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.877 -10.496 -4.337 1.00 0.00 H new ATOM 398 N PHE A 30 -5.817 -10.326 -3.835 1.00 0.00 N ATOM 399 CA PHE A 30 -5.592 -10.340 -2.394 1.00 0.00 C ATOM 400 C PHE A 30 -6.774 -9.718 -1.655 1.00 0.00 C ATOM 401 O PHE A 30 -7.468 -8.850 -2.187 1.00 0.00 O ATOM 402 CB PHE A 30 -4.306 -9.585 -2.050 1.00 0.00 C ATOM 403 CG PHE A 30 -3.079 -10.170 -2.688 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.501 -11.322 -2.180 1.00 0.00 C ATOM 405 CD2 PHE A 30 -2.503 -9.568 -3.795 1.00 0.00 C ATOM 406 CE1 PHE A 30 -1.372 -11.863 -2.764 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.375 -10.105 -4.385 1.00 0.00 C ATOM 408 CZ PHE A 30 -0.807 -11.254 -3.868 1.00 0.00 C ATOM 0 H PHE A 30 -6.327 -9.510 -4.175 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.491 -11.378 -2.076 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.409 -8.546 -2.364 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.176 -9.580 -0.968 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.938 -11.803 -1.317 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.941 -8.668 -4.202 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.931 -12.761 -2.358 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.938 -9.627 -5.249 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.076 -11.675 -4.326 1.00 0.00 H new ATOM 418 N CYS A 31 -6.996 -10.169 -0.424 1.00 0.00 N ATOM 419 CA CYS A 31 -8.094 -9.659 0.390 1.00 0.00 C ATOM 420 C CYS A 31 -7.796 -8.245 0.880 1.00 0.00 C ATOM 421 O CYS A 31 -6.742 -7.986 1.462 1.00 0.00 O ATOM 422 CB CYS A 31 -8.342 -10.583 1.583 1.00 0.00 C ATOM 423 SG CYS A 31 -7.107 -10.426 2.915 1.00 0.00 S ATOM 0 H CYS A 31 -6.431 -10.886 0.031 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.990 -9.628 -0.230 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -9.330 -10.373 1.992 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.354 -11.615 1.233 1.00 0.00 H new ATOM 0 HG CYS A 31 -6.882 -11.595 3.438 1.00 0.00 H new ATOM 428 N THR A 32 -8.732 -7.332 0.640 1.00 0.00 N ATOM 429 CA THR A 32 -8.571 -5.945 1.056 1.00 0.00 C ATOM 430 C THR A 32 -7.765 -5.847 2.347 1.00 0.00 C ATOM 431 O THR A 32 -6.806 -5.079 2.435 1.00 0.00 O ATOM 432 CB THR A 32 -9.935 -5.258 1.263 1.00 0.00 C ATOM 433 OG1 THR A 32 -10.717 -5.352 0.068 1.00 0.00 O ATOM 434 CG2 THR A 32 -9.752 -3.796 1.642 1.00 0.00 C ATOM 0 H THR A 32 -9.610 -7.529 0.159 1.00 0.00 H new ATOM 0 HA THR A 32 -8.033 -5.436 0.256 1.00 0.00 H new ATOM 0 HB THR A 32 -10.453 -5.766 2.076 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.583 -4.915 0.208 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.728 -3.332 1.783 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.181 -3.729 2.568 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.215 -3.278 0.847 1.00 0.00 H new ATOM 442 N LEU A 33 -8.159 -6.629 3.345 1.00 0.00 N ATOM 443 CA LEU A 33 -7.473 -6.632 4.632 1.00 0.00 C ATOM 444 C LEU A 33 -5.960 -6.576 4.442 1.00 0.00 C ATOM 445 O LEU A 33 -5.321 -5.571 4.754 1.00 0.00 O ATOM 446 CB LEU A 33 -7.852 -7.879 5.432 1.00 0.00 C ATOM 447 CG LEU A 33 -9.173 -7.809 6.197 1.00 0.00 C ATOM 448 CD1 LEU A 33 -9.560 -9.184 6.721 1.00 0.00 C ATOM 449 CD2 LEU A 33 -9.078 -6.808 7.338 1.00 0.00 C ATOM 0 H LEU A 33 -8.951 -7.270 3.288 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.785 -5.746 5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.896 -8.726 4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.053 -8.086 6.144 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.950 -7.472 5.511 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.503 -9.115 7.263 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.672 -9.874 5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.782 -9.550 7.391 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.028 -6.772 7.871 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.288 -7.113 8.025 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.849 -5.820 6.937 1.00 0.00 H new ATOM 461 N CYS A 34 -5.393 -7.662 3.926 1.00 0.00 N ATOM 462 CA CYS A 34 -3.956 -7.737 3.692 1.00 0.00 C ATOM 463 C CYS A 34 -3.480 -6.559 2.846 1.00 0.00 C ATOM 464 O CYS A 34 -2.580 -5.818 3.244 1.00 0.00 O ATOM 465 CB CYS A 34 -3.600 -9.054 2.999 1.00 0.00 C ATOM 466 SG CYS A 34 -3.970 -10.538 3.988 1.00 0.00 S ATOM 0 H CYS A 34 -5.907 -8.502 3.662 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.453 -7.694 4.658 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.143 -9.114 2.056 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.538 -9.048 2.755 1.00 0.00 H new ATOM 0 HG CYS A 34 -5.225 -10.847 3.853 1.00 0.00 H new ATOM 471 N LEU A 35 -4.091 -6.392 1.678 1.00 0.00 N ATOM 472 CA LEU A 35 -3.730 -5.305 0.775 1.00 0.00 C ATOM 473 C LEU A 35 -3.687 -3.973 1.517 1.00 0.00 C ATOM 474 O LEU A 35 -2.903 -3.085 1.179 1.00 0.00 O ATOM 475 CB LEU A 35 -4.728 -5.224 -0.382 1.00 0.00 C ATOM 476 CG LEU A 35 -4.337 -5.971 -1.658 1.00 0.00 C ATOM 477 CD1 LEU A 35 -5.569 -6.274 -2.497 1.00 0.00 C ATOM 478 CD2 LEU A 35 -3.329 -5.163 -2.460 1.00 0.00 C ATOM 0 H LEU A 35 -4.838 -6.995 1.334 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.737 -5.511 0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.686 -5.612 -0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.880 -4.174 -0.632 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.873 -6.916 -1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.272 -6.806 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.258 -6.893 -1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.062 -5.341 -2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.062 -5.709 -3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.767 -4.203 -2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.435 -4.997 -1.859 1.00 0.00 H new ATOM 490 N LYS A 36 -4.533 -3.840 2.534 1.00 0.00 N ATOM 491 CA LYS A 36 -4.589 -2.618 3.327 1.00 0.00 C ATOM 492 C LYS A 36 -3.386 -2.518 4.260 1.00 0.00 C ATOM 493 O LYS A 36 -2.519 -1.665 4.079 1.00 0.00 O ATOM 494 CB LYS A 36 -5.885 -2.574 4.141 1.00 0.00 C ATOM 495 CG LYS A 36 -6.153 -1.224 4.784 1.00 0.00 C ATOM 496 CD LYS A 36 -7.392 -1.262 5.664 1.00 0.00 C ATOM 497 CE LYS A 36 -7.946 0.133 5.907 1.00 0.00 C ATOM 498 NZ LYS A 36 -7.252 0.818 7.032 1.00 0.00 N ATOM 0 H LYS A 36 -5.189 -4.564 2.828 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.567 -1.769 2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.722 -2.830 3.491 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.842 -3.336 4.919 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.291 -0.926 5.381 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.280 -0.469 4.008 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.156 -1.881 5.193 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.148 -1.729 6.618 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.842 0.728 5.000 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.012 0.067 6.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.225 1.842 6.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.764 0.636 7.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.281 0.455 7.113 1.00 0.00 H new ATOM 512 N GLN A 37 -3.341 -3.398 5.256 1.00 0.00 N ATOM 513 CA GLN A 37 -2.243 -3.408 6.216 1.00 0.00 C ATOM 514 C GLN A 37 -0.897 -3.446 5.502 1.00 0.00 C ATOM 515 O GLN A 37 0.100 -2.931 6.008 1.00 0.00 O ATOM 516 CB GLN A 37 -2.370 -4.609 7.155 1.00 0.00 C ATOM 517 CG GLN A 37 -3.346 -4.387 8.298 1.00 0.00 C ATOM 518 CD GLN A 37 -4.793 -4.416 7.845 1.00 0.00 C ATOM 519 OE1 GLN A 37 -5.365 -5.483 7.623 1.00 0.00 O ATOM 520 NE2 GLN A 37 -5.393 -3.240 7.705 1.00 0.00 N ATOM 0 H GLN A 37 -4.051 -4.112 5.419 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.297 -2.490 6.802 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.689 -5.478 6.579 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.388 -4.843 7.567 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.191 -5.154 9.057 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.136 -3.427 8.769 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.881 -2.380 7.900 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.366 -3.197 7.403 1.00 0.00 H new ATOM 529 N TYR A 38 -0.874 -4.061 4.324 1.00 0.00 N ATOM 530 CA TYR A 38 0.351 -4.168 3.541 1.00 0.00 C ATOM 531 C TYR A 38 0.861 -2.788 3.136 1.00 0.00 C ATOM 532 O TYR A 38 1.873 -2.311 3.651 1.00 0.00 O ATOM 533 CB TYR A 38 0.112 -5.022 2.296 1.00 0.00 C ATOM 534 CG TYR A 38 1.297 -5.069 1.357 1.00 0.00 C ATOM 535 CD1 TYR A 38 2.503 -5.630 1.758 1.00 0.00 C ATOM 536 CD2 TYR A 38 1.210 -4.553 0.070 1.00 0.00 C ATOM 537 CE1 TYR A 38 3.589 -5.675 0.905 1.00 0.00 C ATOM 538 CE2 TYR A 38 2.290 -4.595 -0.791 1.00 0.00 C ATOM 539 CZ TYR A 38 3.478 -5.156 -0.368 1.00 0.00 C ATOM 540 OH TYR A 38 4.555 -5.200 -1.222 1.00 0.00 O ATOM 0 H TYR A 38 -1.690 -4.493 3.891 1.00 0.00 H new ATOM 0 HA TYR A 38 1.108 -4.647 4.162 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.137 -6.037 2.604 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.752 -4.631 1.758 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.593 -6.038 2.754 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.282 -4.112 -0.263 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.520 -6.114 1.233 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.205 -4.191 -1.789 1.00 0.00 H new ATOM 0 HH TYR A 38 4.392 -4.607 -1.985 1.00 0.00 H new ATOM 550 N VAL A 39 0.154 -2.152 2.208 1.00 0.00 N ATOM 551 CA VAL A 39 0.533 -0.826 1.733 1.00 0.00 C ATOM 552 C VAL A 39 0.567 0.179 2.879 1.00 0.00 C ATOM 553 O VAL A 39 1.268 1.188 2.811 1.00 0.00 O ATOM 554 CB VAL A 39 -0.438 -0.320 0.650 1.00 0.00 C ATOM 555 CG1 VAL A 39 -0.665 -1.390 -0.407 1.00 0.00 C ATOM 556 CG2 VAL A 39 -1.756 0.112 1.275 1.00 0.00 C ATOM 0 H VAL A 39 -0.685 -2.533 1.770 1.00 0.00 H new ATOM 0 HA VAL A 39 1.531 -0.916 1.303 1.00 0.00 H new ATOM 0 HB VAL A 39 0.009 0.547 0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.354 -1.014 -1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.285 -1.645 -0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.089 -2.279 0.060 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.430 0.467 0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.210 -0.735 1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.574 0.915 1.990 1.00 0.00 H new ATOM 566 N GLU A 40 -0.194 -0.105 3.931 1.00 0.00 N ATOM 567 CA GLU A 40 -0.251 0.775 5.092 1.00 0.00 C ATOM 568 C GLU A 40 1.088 0.797 5.824 1.00 0.00 C ATOM 569 O GLU A 40 1.732 1.841 5.931 1.00 0.00 O ATOM 570 CB GLU A 40 -1.359 0.327 6.047 1.00 0.00 C ATOM 571 CG GLU A 40 -2.700 0.989 5.778 1.00 0.00 C ATOM 572 CD GLU A 40 -3.632 0.926 6.972 1.00 0.00 C ATOM 573 OE1 GLU A 40 -4.073 -0.189 7.320 1.00 0.00 O ATOM 574 OE2 GLU A 40 -3.920 1.990 7.558 1.00 0.00 O ATOM 0 H GLU A 40 -0.779 -0.937 4.003 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.471 1.783 4.740 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.476 -0.754 5.973 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.055 0.545 7.071 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.538 2.031 5.503 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.175 0.505 4.925 1.00 0.00 H new ATOM 581 N LEU A 41 1.500 -0.362 6.326 1.00 0.00 N ATOM 582 CA LEU A 41 2.762 -0.477 7.048 1.00 0.00 C ATOM 583 C LEU A 41 3.919 0.064 6.214 1.00 0.00 C ATOM 584 O LEU A 41 4.743 0.837 6.703 1.00 0.00 O ATOM 585 CB LEU A 41 3.027 -1.937 7.422 1.00 0.00 C ATOM 586 CG LEU A 41 2.055 -2.560 8.424 1.00 0.00 C ATOM 587 CD1 LEU A 41 2.743 -3.654 9.226 1.00 0.00 C ATOM 588 CD2 LEU A 41 1.487 -1.494 9.350 1.00 0.00 C ATOM 0 H LEU A 41 0.979 -1.235 6.246 1.00 0.00 H new ATOM 0 HA LEU A 41 2.686 0.117 7.958 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.009 -2.534 6.510 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.035 -2.009 7.831 1.00 0.00 H new ATOM 0 HG LEU A 41 1.230 -3.008 7.870 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.036 -4.086 9.934 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.100 -4.431 8.550 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.587 -3.230 9.770 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.797 -1.956 10.056 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.300 -1.016 9.896 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.956 -0.746 8.761 1.00 0.00 H new ATOM 600 N LEU A 42 3.973 -0.344 4.951 1.00 0.00 N ATOM 601 CA LEU A 42 5.027 0.101 4.047 1.00 0.00 C ATOM 602 C LEU A 42 5.129 1.622 4.038 1.00 0.00 C ATOM 603 O LEU A 42 6.190 2.185 4.315 1.00 0.00 O ATOM 604 CB LEU A 42 4.762 -0.412 2.630 1.00 0.00 C ATOM 605 CG LEU A 42 5.334 -1.791 2.298 1.00 0.00 C ATOM 606 CD1 LEU A 42 4.974 -2.188 0.874 1.00 0.00 C ATOM 607 CD2 LEU A 42 6.843 -1.802 2.492 1.00 0.00 C ATOM 0 H LEU A 42 3.299 -0.983 4.530 1.00 0.00 H new ATOM 0 HA LEU A 42 5.973 -0.307 4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.684 -0.440 2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.170 0.309 1.922 1.00 0.00 H new ATOM 0 HG LEU A 42 4.895 -2.520 2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.389 -3.172 0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.890 -2.220 0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.385 -1.457 0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.234 -2.791 2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.300 -1.062 1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.078 -1.561 3.529 1.00 0.00 H new ATOM 619 N ILE A 43 4.022 2.283 3.721 1.00 0.00 N ATOM 620 CA ILE A 43 3.986 3.740 3.680 1.00 0.00 C ATOM 621 C ILE A 43 4.489 4.339 4.988 1.00 0.00 C ATOM 622 O ILE A 43 5.258 5.301 4.989 1.00 0.00 O ATOM 623 CB ILE A 43 2.564 4.261 3.403 1.00 0.00 C ATOM 624 CG1 ILE A 43 2.116 3.864 1.995 1.00 0.00 C ATOM 625 CG2 ILE A 43 2.510 5.771 3.574 1.00 0.00 C ATOM 626 CD1 ILE A 43 0.616 3.916 1.800 1.00 0.00 C ATOM 0 H ILE A 43 3.137 1.833 3.488 1.00 0.00 H new ATOM 0 HA ILE A 43 4.642 4.049 2.866 1.00 0.00 H new ATOM 0 HB ILE A 43 1.882 3.808 4.123 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.591 4.526 1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.467 2.854 1.782 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.498 6.124 3.375 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.791 6.032 4.594 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.202 6.241 2.876 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.371 3.622 0.779 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.134 3.233 2.500 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.261 4.930 1.981 1.00 0.00 H new ATOM 638 N LYS A 44 4.053 3.763 6.103 1.00 0.00 N ATOM 639 CA LYS A 44 4.461 4.237 7.420 1.00 0.00 C ATOM 640 C LYS A 44 5.981 4.258 7.545 1.00 0.00 C ATOM 641 O LYS A 44 6.555 5.206 8.078 1.00 0.00 O ATOM 642 CB LYS A 44 3.861 3.348 8.513 1.00 0.00 C ATOM 643 CG LYS A 44 2.505 3.820 9.005 1.00 0.00 C ATOM 644 CD LYS A 44 1.886 2.828 9.975 1.00 0.00 C ATOM 645 CE LYS A 44 1.007 3.526 11.002 1.00 0.00 C ATOM 646 NZ LYS A 44 1.789 3.971 12.189 1.00 0.00 N ATOM 0 H LYS A 44 3.416 2.966 6.121 1.00 0.00 H new ATOM 0 HA LYS A 44 4.090 5.255 7.543 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.766 2.332 8.131 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.550 3.308 9.356 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.611 4.789 9.493 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.838 3.963 8.155 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.293 2.099 9.423 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.675 2.276 10.485 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.524 4.388 10.541 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.214 2.849 11.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.155 4.442 12.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.229 3.146 12.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.529 4.636 11.887 1.00 0.00 H new ATOM 660 N GLU A 45 6.626 3.207 7.048 1.00 0.00 N ATOM 661 CA GLU A 45 8.080 3.107 7.103 1.00 0.00 C ATOM 662 C GLU A 45 8.734 4.324 6.457 1.00 0.00 C ATOM 663 O GLU A 45 9.408 5.107 7.125 1.00 0.00 O ATOM 664 CB GLU A 45 8.551 1.830 6.404 1.00 0.00 C ATOM 665 CG GLU A 45 10.053 1.613 6.484 1.00 0.00 C ATOM 666 CD GLU A 45 10.453 0.181 6.183 1.00 0.00 C ATOM 667 OE1 GLU A 45 10.257 -0.259 5.031 1.00 0.00 O ATOM 668 OE2 GLU A 45 10.960 -0.499 7.098 1.00 0.00 O ATOM 0 H GLU A 45 6.165 2.413 6.603 1.00 0.00 H new ATOM 0 HA GLU A 45 8.377 3.071 8.151 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.044 0.974 6.849 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.253 1.868 5.356 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.551 2.281 5.781 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.403 1.882 7.481 1.00 0.00 H new ATOM 675 N GLY A 46 8.528 4.477 5.152 1.00 0.00 N ATOM 676 CA GLY A 46 9.105 5.601 4.437 1.00 0.00 C ATOM 677 C GLY A 46 10.194 5.176 3.472 1.00 0.00 C ATOM 678 O GLY A 46 10.281 5.692 2.357 1.00 0.00 O ATOM 0 H GLY A 46 7.972 3.843 4.578 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.320 6.120 3.888 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.516 6.312 5.154 1.00 0.00 H new ATOM 682 N LEU A 47 11.028 4.236 3.900 1.00 0.00 N ATOM 683 CA LEU A 47 12.118 3.742 3.065 1.00 0.00 C ATOM 684 C LEU A 47 11.584 3.142 1.769 1.00 0.00 C ATOM 685 O LEU A 47 11.916 3.603 0.678 1.00 0.00 O ATOM 686 CB LEU A 47 12.936 2.696 3.826 1.00 0.00 C ATOM 687 CG LEU A 47 14.072 2.035 3.046 1.00 0.00 C ATOM 688 CD1 LEU A 47 15.203 3.025 2.807 1.00 0.00 C ATOM 689 CD2 LEU A 47 14.584 0.808 3.785 1.00 0.00 C ATOM 0 H LEU A 47 10.971 3.800 4.820 1.00 0.00 H new ATOM 0 HA LEU A 47 12.761 4.586 2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 47 13.358 3.169 4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.258 1.916 4.173 1.00 0.00 H new ATOM 0 HG LEU A 47 13.684 1.716 2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 47 16.003 2.536 2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.829 3.874 2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.589 3.375 3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 47 15.392 0.351 3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 47 14.954 1.103 4.767 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.773 0.090 3.904 1.00 0.00 H new ATOM 701 N GLU A 48 10.753 2.112 1.898 1.00 0.00 N ATOM 702 CA GLU A 48 10.171 1.451 0.736 1.00 0.00 C ATOM 703 C GLU A 48 9.002 2.258 0.178 1.00 0.00 C ATOM 704 O GLU A 48 7.846 2.024 0.533 1.00 0.00 O ATOM 705 CB GLU A 48 9.703 0.042 1.104 1.00 0.00 C ATOM 706 CG GLU A 48 10.790 -1.012 0.982 1.00 0.00 C ATOM 707 CD GLU A 48 10.232 -2.397 0.713 1.00 0.00 C ATOM 708 OE1 GLU A 48 9.654 -2.603 -0.374 1.00 0.00 O ATOM 709 OE2 GLU A 48 10.375 -3.274 1.591 1.00 0.00 O ATOM 0 H GLU A 48 10.468 1.718 2.795 1.00 0.00 H new ATOM 0 HA GLU A 48 10.941 1.381 -0.033 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.328 0.049 2.128 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.868 -0.234 0.461 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.470 -0.736 0.176 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.376 -1.033 1.901 1.00 0.00 H new ATOM 716 N THR A 49 9.312 3.211 -0.696 1.00 0.00 N ATOM 717 CA THR A 49 8.288 4.054 -1.301 1.00 0.00 C ATOM 718 C THR A 49 7.418 3.256 -2.265 1.00 0.00 C ATOM 719 O THR A 49 6.192 3.364 -2.244 1.00 0.00 O ATOM 720 CB THR A 49 8.914 5.242 -2.056 1.00 0.00 C ATOM 721 OG1 THR A 49 9.752 4.765 -3.114 1.00 0.00 O ATOM 722 CG2 THR A 49 9.729 6.115 -1.111 1.00 0.00 C ATOM 0 H THR A 49 10.263 3.418 -1.000 1.00 0.00 H new ATOM 0 HA THR A 49 7.670 4.434 -0.488 1.00 0.00 H new ATOM 0 HB THR A 49 8.107 5.842 -2.476 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.144 5.527 -3.589 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.161 6.947 -1.666 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.082 6.501 -0.324 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.528 5.522 -0.666 1.00 0.00 H new ATOM 730 N ALA A 50 8.060 2.455 -3.110 1.00 0.00 N ATOM 731 CA ALA A 50 7.343 1.637 -4.081 1.00 0.00 C ATOM 732 C ALA A 50 6.685 0.437 -3.407 1.00 0.00 C ATOM 733 O ALA A 50 7.356 -0.374 -2.770 1.00 0.00 O ATOM 734 CB ALA A 50 8.287 1.175 -5.181 1.00 0.00 C ATOM 0 H ALA A 50 9.075 2.355 -3.142 1.00 0.00 H new ATOM 0 HA ALA A 50 6.557 2.248 -4.525 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.738 0.565 -5.899 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.707 2.043 -5.689 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.093 0.585 -4.745 1.00 0.00 H new ATOM 740 N ILE A 51 5.368 0.333 -3.553 1.00 0.00 N ATOM 741 CA ILE A 51 4.620 -0.769 -2.959 1.00 0.00 C ATOM 742 C ILE A 51 4.472 -1.926 -3.942 1.00 0.00 C ATOM 743 O ILE A 51 3.495 -1.999 -4.688 1.00 0.00 O ATOM 744 CB ILE A 51 3.221 -0.317 -2.501 1.00 0.00 C ATOM 745 CG1 ILE A 51 3.337 0.810 -1.472 1.00 0.00 C ATOM 746 CG2 ILE A 51 2.448 -1.492 -1.922 1.00 0.00 C ATOM 747 CD1 ILE A 51 2.001 1.328 -0.991 1.00 0.00 C ATOM 0 H ILE A 51 4.798 0.997 -4.077 1.00 0.00 H new ATOM 0 HA ILE A 51 5.187 -1.104 -2.090 1.00 0.00 H new ATOM 0 HB ILE A 51 2.676 0.060 -3.366 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.908 0.452 -0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.901 1.634 -1.909 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.461 -1.157 -1.603 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.340 -2.266 -2.682 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.988 -1.897 -1.066 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.160 2.125 -0.264 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.435 1.717 -1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.443 0.517 -0.524 1.00 0.00 H new ATOM 759 N SER A 52 5.447 -2.829 -3.935 1.00 0.00 N ATOM 760 CA SER A 52 5.425 -3.983 -4.827 1.00 0.00 C ATOM 761 C SER A 52 4.364 -4.988 -4.390 1.00 0.00 C ATOM 762 O SER A 52 3.619 -4.749 -3.439 1.00 0.00 O ATOM 763 CB SER A 52 6.800 -4.655 -4.858 1.00 0.00 C ATOM 764 OG SER A 52 7.195 -5.068 -3.561 1.00 0.00 O ATOM 0 H SER A 52 6.261 -2.784 -3.322 1.00 0.00 H new ATOM 0 HA SER A 52 5.176 -3.633 -5.829 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.772 -5.517 -5.525 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.538 -3.962 -5.263 1.00 0.00 H new ATOM 0 HG SER A 52 8.075 -5.496 -3.608 1.00 0.00 H new ATOM 770 N CYS A 53 4.302 -6.116 -5.092 1.00 0.00 N ATOM 771 CA CYS A 53 3.334 -7.159 -4.779 1.00 0.00 C ATOM 772 C CYS A 53 3.558 -7.705 -3.372 1.00 0.00 C ATOM 773 O CYS A 53 4.685 -7.977 -2.957 1.00 0.00 O ATOM 774 CB CYS A 53 3.429 -8.295 -5.799 1.00 0.00 C ATOM 775 SG CYS A 53 2.169 -9.594 -5.585 1.00 0.00 S ATOM 0 H CYS A 53 4.912 -6.330 -5.881 1.00 0.00 H new ATOM 0 HA CYS A 53 2.337 -6.720 -4.825 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.338 -7.877 -6.802 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.418 -8.748 -5.731 1.00 0.00 H new ATOM 0 HG CYS A 53 2.466 -10.614 -6.334 1.00 0.00 H new ATOM 780 N PRO A 54 2.460 -7.870 -2.619 1.00 0.00 N ATOM 781 CA PRO A 54 2.510 -8.385 -1.248 1.00 0.00 C ATOM 782 C PRO A 54 2.885 -9.863 -1.197 1.00 0.00 C ATOM 783 O PRO A 54 2.938 -10.463 -0.123 1.00 0.00 O ATOM 784 CB PRO A 54 1.081 -8.180 -0.739 1.00 0.00 C ATOM 785 CG PRO A 54 0.238 -8.178 -1.967 1.00 0.00 C ATOM 786 CD PRO A 54 1.085 -7.567 -3.049 1.00 0.00 C ATOM 0 HA PRO A 54 3.267 -7.878 -0.650 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.785 -8.977 -0.057 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.986 -7.242 -0.192 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.066 -9.190 -2.234 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.674 -7.602 -1.813 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.865 -8.000 -4.025 1.00 0.00 H new ATOM 0 HD3 PRO A 54 0.918 -6.493 -3.132 1.00 0.00 H new ATOM 794 N ASP A 55 3.148 -10.442 -2.363 1.00 0.00 N ATOM 795 CA ASP A 55 3.520 -11.849 -2.451 1.00 0.00 C ATOM 796 C ASP A 55 5.024 -12.001 -2.660 1.00 0.00 C ATOM 797 O ASP A 55 5.608 -11.356 -3.530 1.00 0.00 O ATOM 798 CB ASP A 55 2.763 -12.528 -3.593 1.00 0.00 C ATOM 799 CG ASP A 55 3.075 -14.009 -3.693 1.00 0.00 C ATOM 800 OD1 ASP A 55 2.875 -14.728 -2.691 1.00 0.00 O ATOM 801 OD2 ASP A 55 3.518 -14.450 -4.775 1.00 0.00 O ATOM 0 H ASP A 55 3.110 -9.959 -3.260 1.00 0.00 H new ATOM 0 HA ASP A 55 3.251 -12.330 -1.511 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.691 -12.394 -3.445 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.018 -12.041 -4.534 1.00 0.00 H new ATOM 806 N ALA A 56 5.645 -12.857 -1.855 1.00 0.00 N ATOM 807 CA ALA A 56 7.079 -13.094 -1.952 1.00 0.00 C ATOM 808 C ALA A 56 7.386 -14.202 -2.953 1.00 0.00 C ATOM 809 O ALA A 56 8.549 -14.499 -3.228 1.00 0.00 O ATOM 810 CB ALA A 56 7.650 -13.441 -0.585 1.00 0.00 C ATOM 0 H ALA A 56 5.176 -13.398 -1.128 1.00 0.00 H new ATOM 0 HA ALA A 56 7.550 -12.178 -2.309 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.722 -13.616 -0.672 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.472 -12.615 0.104 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.166 -14.341 -0.206 1.00 0.00 H new ATOM 816 N ALA A 57 6.336 -14.812 -3.495 1.00 0.00 N ATOM 817 CA ALA A 57 6.494 -15.887 -4.466 1.00 0.00 C ATOM 818 C ALA A 57 6.009 -15.455 -5.846 1.00 0.00 C ATOM 819 O ALA A 57 5.746 -16.291 -6.712 1.00 0.00 O ATOM 820 CB ALA A 57 5.745 -17.129 -4.005 1.00 0.00 C ATOM 0 H ALA A 57 5.367 -14.579 -3.277 1.00 0.00 H new ATOM 0 HA ALA A 57 7.555 -16.124 -4.540 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.872 -17.924 -4.740 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.141 -17.457 -3.044 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.685 -16.897 -3.901 1.00 0.00 H new ATOM 826 N CYS A 58 5.891 -14.147 -6.044 1.00 0.00 N ATOM 827 CA CYS A 58 5.437 -13.604 -7.319 1.00 0.00 C ATOM 828 C CYS A 58 6.614 -13.361 -8.258 1.00 0.00 C ATOM 829 O CYS A 58 7.483 -12.527 -8.001 1.00 0.00 O ATOM 830 CB CYS A 58 4.669 -12.300 -7.096 1.00 0.00 C ATOM 831 SG CYS A 58 3.730 -11.731 -8.550 1.00 0.00 S ATOM 0 H CYS A 58 6.104 -13.443 -5.338 1.00 0.00 H new ATOM 0 HA CYS A 58 4.773 -14.335 -7.781 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.980 -12.435 -6.262 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.374 -11.521 -6.805 1.00 0.00 H new ATOM 0 HG CYS A 58 2.456 -11.809 -8.302 1.00 0.00 H new ATOM 836 N PRO A 59 6.646 -14.105 -9.372 1.00 0.00 N ATOM 837 CA PRO A 59 7.711 -13.988 -10.373 1.00 0.00 C ATOM 838 C PRO A 59 7.646 -12.671 -11.138 1.00 0.00 C ATOM 839 O PRO A 59 8.650 -12.199 -11.671 1.00 0.00 O ATOM 840 CB PRO A 59 7.444 -15.165 -11.314 1.00 0.00 C ATOM 841 CG PRO A 59 5.988 -15.444 -11.170 1.00 0.00 C ATOM 842 CD PRO A 59 5.643 -15.118 -9.743 1.00 0.00 C ATOM 0 HA PRO A 59 8.701 -14.004 -9.918 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.699 -14.914 -12.344 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.042 -16.034 -11.040 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.404 -14.836 -11.861 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.766 -16.487 -11.397 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.628 -14.730 -9.653 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.705 -15.998 -9.103 1.00 0.00 H new ATOM 850 N LYS A 60 6.456 -12.079 -11.187 1.00 0.00 N ATOM 851 CA LYS A 60 6.260 -10.814 -11.885 1.00 0.00 C ATOM 852 C LYS A 60 6.645 -9.637 -10.996 1.00 0.00 C ATOM 853 O LYS A 60 7.323 -8.709 -11.438 1.00 0.00 O ATOM 854 CB LYS A 60 4.803 -10.675 -12.330 1.00 0.00 C ATOM 855 CG LYS A 60 4.639 -9.962 -13.662 1.00 0.00 C ATOM 856 CD LYS A 60 4.891 -8.470 -13.531 1.00 0.00 C ATOM 857 CE LYS A 60 3.630 -7.726 -13.116 1.00 0.00 C ATOM 858 NZ LYS A 60 3.587 -6.349 -13.682 1.00 0.00 N ATOM 0 H LYS A 60 5.614 -12.455 -10.752 1.00 0.00 H new ATOM 0 HA LYS A 60 6.905 -10.809 -12.764 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.357 -11.667 -12.401 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.249 -10.131 -11.565 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.330 -10.386 -14.390 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.632 -10.130 -14.044 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.676 -8.296 -12.795 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.251 -8.076 -14.481 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.754 -8.283 -13.448 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.581 -7.673 -12.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.657 -5.924 -13.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.330 -5.769 -13.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.744 -6.391 -14.709 1.00 0.00 H new ATOM 872 N GLN A 61 6.209 -9.680 -9.741 1.00 0.00 N ATOM 873 CA GLN A 61 6.510 -8.617 -8.789 1.00 0.00 C ATOM 874 C GLN A 61 5.805 -7.323 -9.181 1.00 0.00 C ATOM 875 O GLN A 61 6.411 -6.252 -9.190 1.00 0.00 O ATOM 876 CB GLN A 61 8.019 -8.386 -8.712 1.00 0.00 C ATOM 877 CG GLN A 61 8.822 -9.664 -8.528 1.00 0.00 C ATOM 878 CD GLN A 61 10.296 -9.399 -8.294 1.00 0.00 C ATOM 879 OE1 GLN A 61 11.094 -9.389 -9.231 1.00 0.00 O ATOM 880 NE2 GLN A 61 10.666 -9.182 -7.037 1.00 0.00 N ATOM 0 H GLN A 61 5.646 -10.440 -9.360 1.00 0.00 H new ATOM 0 HA GLN A 61 6.147 -8.926 -7.809 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.349 -7.888 -9.624 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.233 -7.710 -7.884 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.419 -10.223 -7.684 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.705 -10.292 -9.411 1.00 0.00 H new ATOM 0 HE21 GLN A 61 9.971 -9.199 -6.291 1.00 0.00 H new ATOM 0 HE22 GLN A 61 11.645 -8.998 -6.818 1.00 0.00 H new ATOM 889 N GLY A 62 4.519 -7.429 -9.504 1.00 0.00 N ATOM 890 CA GLY A 62 3.753 -6.258 -9.892 1.00 0.00 C ATOM 891 C GLY A 62 3.610 -5.258 -8.761 1.00 0.00 C ATOM 892 O GLY A 62 3.528 -5.638 -7.593 1.00 0.00 O ATOM 0 H GLY A 62 3.994 -8.304 -9.504 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.238 -5.775 -10.741 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.763 -6.569 -10.225 1.00 0.00 H new ATOM 896 N HIS A 63 3.581 -3.976 -9.108 1.00 0.00 N ATOM 897 CA HIS A 63 3.447 -2.917 -8.114 1.00 0.00 C ATOM 898 C HIS A 63 2.004 -2.430 -8.029 1.00 0.00 C ATOM 899 O HIS A 63 1.190 -2.712 -8.909 1.00 0.00 O ATOM 900 CB HIS A 63 4.373 -1.749 -8.454 1.00 0.00 C ATOM 901 CG HIS A 63 3.979 -0.462 -7.798 1.00 0.00 C ATOM 902 ND1 HIS A 63 3.207 0.495 -8.420 1.00 0.00 N ATOM 903 CD2 HIS A 63 4.254 0.023 -6.564 1.00 0.00 C ATOM 904 CE1 HIS A 63 3.025 1.515 -7.600 1.00 0.00 C ATOM 905 NE2 HIS A 63 3.650 1.252 -6.466 1.00 0.00 N ATOM 0 H HIS A 63 3.648 -3.645 -10.070 1.00 0.00 H new ATOM 0 HA HIS A 63 3.731 -3.325 -7.144 1.00 0.00 H new ATOM 0 HB2 HIS A 63 5.390 -2.003 -8.155 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.384 -1.608 -9.535 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.839 -0.466 -5.799 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.462 2.410 -7.819 1.00 0.00 H new ATOM 0 HE2 HIS A 63 3.679 1.863 -5.650 1.00 0.00 H new ATOM 913 N LEU A 64 1.694 -1.698 -6.964 1.00 0.00 N ATOM 914 CA LEU A 64 0.348 -1.171 -6.764 1.00 0.00 C ATOM 915 C LEU A 64 0.276 0.301 -7.154 1.00 0.00 C ATOM 916 O LEU A 64 0.784 1.167 -6.442 1.00 0.00 O ATOM 917 CB LEU A 64 -0.077 -1.346 -5.305 1.00 0.00 C ATOM 918 CG LEU A 64 -0.796 -2.652 -4.967 1.00 0.00 C ATOM 919 CD1 LEU A 64 -2.160 -2.699 -5.635 1.00 0.00 C ATOM 920 CD2 LEU A 64 0.047 -3.849 -5.386 1.00 0.00 C ATOM 0 H LEU A 64 2.356 -1.456 -6.226 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.334 -1.730 -7.404 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.811 -1.271 -4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.729 -0.515 -5.035 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.942 -2.695 -3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.657 -3.636 -5.383 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.765 -1.862 -5.286 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.038 -2.633 -6.716 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.480 -4.770 -5.138 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.224 -3.811 -6.461 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.001 -3.824 -4.860 1.00 0.00 H new ATOM 932 N GLN A 65 -0.362 0.577 -8.287 1.00 0.00 N ATOM 933 CA GLN A 65 -0.501 1.946 -8.770 1.00 0.00 C ATOM 934 C GLN A 65 -1.043 2.858 -7.673 1.00 0.00 C ATOM 935 O GLN A 65 -1.540 2.386 -6.651 1.00 0.00 O ATOM 936 CB GLN A 65 -1.426 1.988 -9.987 1.00 0.00 C ATOM 937 CG GLN A 65 -0.952 1.119 -11.142 1.00 0.00 C ATOM 938 CD GLN A 65 -1.980 1.010 -12.250 1.00 0.00 C ATOM 939 OE1 GLN A 65 -1.745 1.450 -13.376 1.00 0.00 O ATOM 940 NE2 GLN A 65 -3.129 0.421 -11.938 1.00 0.00 N ATOM 0 H GLN A 65 -0.790 -0.128 -8.887 1.00 0.00 H new ATOM 0 HA GLN A 65 0.487 2.304 -9.060 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.423 1.666 -9.686 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -1.514 3.019 -10.331 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.029 1.532 -11.548 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.718 0.122 -10.769 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.282 0.071 -10.992 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.858 0.319 -12.644 1.00 0.00 H new ATOM 949 N GLU A 66 -0.944 4.165 -7.894 1.00 0.00 N ATOM 950 CA GLU A 66 -1.424 5.142 -6.923 1.00 0.00 C ATOM 951 C GLU A 66 -2.925 4.992 -6.698 1.00 0.00 C ATOM 952 O GLU A 66 -3.370 4.689 -5.591 1.00 0.00 O ATOM 953 CB GLU A 66 -1.107 6.561 -7.397 1.00 0.00 C ATOM 954 CG GLU A 66 -1.020 7.574 -6.267 1.00 0.00 C ATOM 955 CD GLU A 66 -0.999 9.005 -6.768 1.00 0.00 C ATOM 956 OE1 GLU A 66 -1.701 9.298 -7.758 1.00 0.00 O ATOM 957 OE2 GLU A 66 -0.280 9.834 -6.170 1.00 0.00 O ATOM 0 H GLU A 66 -0.536 4.572 -8.736 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.913 4.960 -5.978 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.161 6.551 -7.939 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.875 6.880 -8.102 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.869 7.440 -5.597 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.120 7.384 -5.682 1.00 0.00 H new ATOM 964 N ASN A 67 -3.701 5.206 -7.756 1.00 0.00 N ATOM 965 CA ASN A 67 -5.153 5.097 -7.673 1.00 0.00 C ATOM 966 C ASN A 67 -5.561 3.990 -6.706 1.00 0.00 C ATOM 967 O ASN A 67 -6.393 4.200 -5.823 1.00 0.00 O ATOM 968 CB ASN A 67 -5.744 4.824 -9.058 1.00 0.00 C ATOM 969 CG ASN A 67 -7.257 4.934 -9.073 1.00 0.00 C ATOM 970 OD1 ASN A 67 -7.814 5.921 -9.552 1.00 0.00 O ATOM 971 ND2 ASN A 67 -7.929 3.917 -8.546 1.00 0.00 N ATOM 0 H ASN A 67 -3.349 5.456 -8.680 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.543 6.043 -7.299 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.324 5.530 -9.775 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.452 3.826 -9.385 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.949 3.934 -8.527 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.425 3.118 -8.160 1.00 0.00 H new ATOM 978 N GLU A 68 -4.969 2.813 -6.880 1.00 0.00 N ATOM 979 CA GLU A 68 -5.272 1.673 -6.022 1.00 0.00 C ATOM 980 C GLU A 68 -5.118 2.044 -4.550 1.00 0.00 C ATOM 981 O GLU A 68 -6.041 1.864 -3.754 1.00 0.00 O ATOM 982 CB GLU A 68 -4.357 0.494 -6.360 1.00 0.00 C ATOM 983 CG GLU A 68 -4.602 -0.089 -7.742 1.00 0.00 C ATOM 984 CD GLU A 68 -5.707 -1.127 -7.748 1.00 0.00 C ATOM 985 OE1 GLU A 68 -6.886 -0.739 -7.601 1.00 0.00 O ATOM 986 OE2 GLU A 68 -5.394 -2.327 -7.900 1.00 0.00 O ATOM 0 H GLU A 68 -4.278 2.624 -7.606 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.307 1.383 -6.200 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.319 0.819 -6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.496 -0.289 -5.614 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.860 0.715 -8.431 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.681 -0.541 -8.110 1.00 0.00 H new ATOM 993 N ILE A 69 -3.947 2.562 -4.195 1.00 0.00 N ATOM 994 CA ILE A 69 -3.672 2.958 -2.820 1.00 0.00 C ATOM 995 C ILE A 69 -4.600 4.084 -2.377 1.00 0.00 C ATOM 996 O ILE A 69 -5.181 4.033 -1.294 1.00 0.00 O ATOM 997 CB ILE A 69 -2.211 3.413 -2.646 1.00 0.00 C ATOM 998 CG1 ILE A 69 -1.253 2.285 -3.033 1.00 0.00 C ATOM 999 CG2 ILE A 69 -1.963 3.859 -1.213 1.00 0.00 C ATOM 1000 CD1 ILE A 69 0.086 2.775 -3.533 1.00 0.00 C ATOM 0 H ILE A 69 -3.173 2.717 -4.841 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.846 2.080 -2.198 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.028 4.261 -3.306 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.095 1.641 -2.168 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.718 1.673 -3.806 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.926 4.178 -1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.625 4.690 -0.971 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.160 3.029 -0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.714 1.921 -3.789 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.061 3.395 -4.417 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.572 3.362 -2.754 1.00 0.00 H new ATOM 1012 N GLU A 70 -4.735 5.101 -3.223 1.00 0.00 N ATOM 1013 CA GLU A 70 -5.594 6.239 -2.919 1.00 0.00 C ATOM 1014 C GLU A 70 -6.864 5.787 -2.204 1.00 0.00 C ATOM 1015 O GLU A 70 -7.169 6.252 -1.105 1.00 0.00 O ATOM 1016 CB GLU A 70 -5.957 6.989 -4.201 1.00 0.00 C ATOM 1017 CG GLU A 70 -6.202 8.474 -3.991 1.00 0.00 C ATOM 1018 CD GLU A 70 -7.339 8.746 -3.025 1.00 0.00 C ATOM 1019 OE1 GLU A 70 -8.511 8.637 -3.443 1.00 0.00 O ATOM 1020 OE2 GLU A 70 -7.058 9.069 -1.852 1.00 0.00 O ATOM 0 H GLU A 70 -4.260 5.160 -4.124 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.045 6.909 -2.258 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.153 6.861 -4.926 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.851 6.540 -4.634 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.291 8.939 -3.614 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.425 8.941 -4.950 1.00 0.00 H new ATOM 1027 N CYS A 71 -7.599 4.879 -2.834 1.00 0.00 N ATOM 1028 CA CYS A 71 -8.836 4.364 -2.260 1.00 0.00 C ATOM 1029 C CYS A 71 -8.544 3.354 -1.155 1.00 0.00 C ATOM 1030 O CYS A 71 -9.288 3.255 -0.178 1.00 0.00 O ATOM 1031 CB CYS A 71 -9.697 3.716 -3.345 1.00 0.00 C ATOM 1032 SG CYS A 71 -11.240 2.999 -2.735 1.00 0.00 S ATOM 0 H CYS A 71 -7.360 4.484 -3.743 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.382 5.202 -1.827 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -9.931 4.464 -4.102 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -9.116 2.936 -3.837 1.00 0.00 H new ATOM 0 HG CYS A 71 -11.143 2.784 -1.457 1.00 0.00 H new ATOM 1038 N MET A 72 -7.459 2.605 -1.317 1.00 0.00 N ATOM 1039 CA MET A 72 -7.070 1.601 -0.333 1.00 0.00 C ATOM 1040 C MET A 72 -6.942 2.221 1.055 1.00 0.00 C ATOM 1041 O MET A 72 -7.701 1.890 1.966 1.00 0.00 O ATOM 1042 CB MET A 72 -5.746 0.948 -0.736 1.00 0.00 C ATOM 1043 CG MET A 72 -5.547 -0.438 -0.145 1.00 0.00 C ATOM 1044 SD MET A 72 -4.015 -1.214 -0.692 1.00 0.00 S ATOM 1045 CE MET A 72 -4.520 -1.880 -2.276 1.00 0.00 C ATOM 0 H MET A 72 -6.833 2.674 -2.120 1.00 0.00 H new ATOM 0 HA MET A 72 -7.849 0.839 -0.301 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.700 0.881 -1.823 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.923 1.590 -0.421 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.546 -0.368 0.943 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.390 -1.071 -0.423 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.653 -2.299 -2.788 1.00 0.00 H new ATOM 0 HE2 MET A 72 -5.263 -2.662 -2.122 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.951 -1.085 -2.884 1.00 0.00 H new ATOM 1055 N VAL A 73 -5.978 3.124 1.209 1.00 0.00 N ATOM 1056 CA VAL A 73 -5.753 3.791 2.485 1.00 0.00 C ATOM 1057 C VAL A 73 -6.524 5.103 2.563 1.00 0.00 C ATOM 1058 O VAL A 73 -6.887 5.683 1.541 1.00 0.00 O ATOM 1059 CB VAL A 73 -4.256 4.072 2.714 1.00 0.00 C ATOM 1060 CG1 VAL A 73 -3.429 2.825 2.443 1.00 0.00 C ATOM 1061 CG2 VAL A 73 -3.793 5.229 1.842 1.00 0.00 C ATOM 0 H VAL A 73 -5.341 3.410 0.466 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.112 3.117 3.263 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.113 4.352 3.758 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.374 3.044 2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.744 2.026 3.114 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.574 2.509 1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.733 5.414 2.016 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.950 4.979 0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.364 6.124 2.091 1.00 0.00 H new ATOM 1071 N ALA A 74 -6.769 5.568 3.784 1.00 0.00 N ATOM 1072 CA ALA A 74 -7.494 6.814 3.996 1.00 0.00 C ATOM 1073 C ALA A 74 -6.583 8.021 3.802 1.00 0.00 C ATOM 1074 O ALA A 74 -5.362 7.911 3.909 1.00 0.00 O ATOM 1075 CB ALA A 74 -8.112 6.835 5.387 1.00 0.00 C ATOM 0 H ALA A 74 -6.476 5.100 4.641 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.291 6.871 3.255 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.651 7.772 5.532 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.804 5.999 5.491 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.325 6.750 6.136 1.00 0.00 H new ATOM 1081 N ALA A 75 -7.184 9.170 3.514 1.00 0.00 N ATOM 1082 CA ALA A 75 -6.425 10.398 3.306 1.00 0.00 C ATOM 1083 C ALA A 75 -5.310 10.536 4.338 1.00 0.00 C ATOM 1084 O ALA A 75 -4.156 10.787 3.989 1.00 0.00 O ATOM 1085 CB ALA A 75 -7.348 11.605 3.361 1.00 0.00 C ATOM 0 H ALA A 75 -8.194 9.277 3.419 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.967 10.349 2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.768 12.514 3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.106 11.519 2.582 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.833 11.648 4.336 1.00 0.00 H new ATOM 1091 N GLU A 76 -5.663 10.371 5.609 1.00 0.00 N ATOM 1092 CA GLU A 76 -4.690 10.479 6.691 1.00 0.00 C ATOM 1093 C GLU A 76 -3.413 9.714 6.354 1.00 0.00 C ATOM 1094 O GLU A 76 -2.307 10.220 6.539 1.00 0.00 O ATOM 1095 CB GLU A 76 -5.287 9.949 7.996 1.00 0.00 C ATOM 1096 CG GLU A 76 -5.990 8.611 7.845 1.00 0.00 C ATOM 1097 CD GLU A 76 -7.038 8.377 8.916 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -6.715 8.551 10.110 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -8.181 8.024 8.560 1.00 0.00 O ATOM 0 H GLU A 76 -6.613 10.162 5.915 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.438 11.532 6.816 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.492 9.851 8.736 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.996 10.680 8.385 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.462 8.562 6.864 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.251 7.810 7.884 1.00 0.00 H new ATOM 1106 N ILE A 77 -3.577 8.492 5.858 1.00 0.00 N ATOM 1107 CA ILE A 77 -2.438 7.657 5.495 1.00 0.00 C ATOM 1108 C ILE A 77 -1.844 8.089 4.159 1.00 0.00 C ATOM 1109 O ILE A 77 -0.652 8.382 4.065 1.00 0.00 O ATOM 1110 CB ILE A 77 -2.835 6.171 5.411 1.00 0.00 C ATOM 1111 CG1 ILE A 77 -3.346 5.680 6.767 1.00 0.00 C ATOM 1112 CG2 ILE A 77 -1.651 5.333 4.951 1.00 0.00 C ATOM 1113 CD1 ILE A 77 -2.251 5.483 7.792 1.00 0.00 C ATOM 0 H ILE A 77 -4.486 8.058 5.698 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.691 7.782 6.279 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.637 6.065 4.681 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.070 6.397 7.154 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.875 4.737 6.627 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.946 4.285 4.896 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.327 5.671 3.967 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.831 5.442 5.660 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.687 5.134 8.728 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.539 4.744 7.426 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.737 6.429 7.962 1.00 0.00 H new ATOM 1125 N MET A 78 -2.683 8.129 3.129 1.00 0.00 N ATOM 1126 CA MET A 78 -2.241 8.528 1.799 1.00 0.00 C ATOM 1127 C MET A 78 -1.208 9.648 1.883 1.00 0.00 C ATOM 1128 O MET A 78 -0.103 9.526 1.354 1.00 0.00 O ATOM 1129 CB MET A 78 -3.434 8.982 0.956 1.00 0.00 C ATOM 1130 CG MET A 78 -3.129 9.074 -0.530 1.00 0.00 C ATOM 1131 SD MET A 78 -2.466 7.535 -1.199 1.00 0.00 S ATOM 1132 CE MET A 78 -2.304 7.962 -2.931 1.00 0.00 C ATOM 0 H MET A 78 -3.673 7.890 3.191 1.00 0.00 H new ATOM 0 HA MET A 78 -1.777 7.664 1.323 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.260 8.287 1.106 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.769 9.957 1.311 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.039 9.337 -1.068 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.413 9.878 -0.701 1.00 0.00 H new ATOM 0 HE1 MET A 78 -2.956 7.322 -3.526 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.587 9.004 -3.077 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.270 7.819 -3.246 1.00 0.00 H new ATOM 1142 N GLN A 79 -1.576 10.737 2.550 1.00 0.00 N ATOM 1143 CA GLN A 79 -0.680 11.878 2.701 1.00 0.00 C ATOM 1144 C GLN A 79 0.769 11.420 2.830 1.00 0.00 C ATOM 1145 O GLN A 79 1.648 11.900 2.114 1.00 0.00 O ATOM 1146 CB GLN A 79 -1.077 12.705 3.926 1.00 0.00 C ATOM 1147 CG GLN A 79 -0.581 14.141 3.875 1.00 0.00 C ATOM 1148 CD GLN A 79 -1.387 15.068 4.764 1.00 0.00 C ATOM 1149 OE1 GLN A 79 -2.400 14.670 5.340 1.00 0.00 O ATOM 1150 NE2 GLN A 79 -0.940 16.313 4.882 1.00 0.00 N ATOM 0 H GLN A 79 -2.487 10.854 2.994 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.767 12.497 1.808 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.163 12.707 4.016 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.683 12.225 4.822 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.465 14.171 4.179 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.625 14.500 2.847 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.096 16.601 4.387 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.441 16.981 5.468 1.00 0.00 H new ATOM 1159 N ARG A 80 1.010 10.487 3.746 1.00 0.00 N ATOM 1160 CA ARG A 80 2.353 9.966 3.969 1.00 0.00 C ATOM 1161 C ARG A 80 2.980 9.498 2.659 1.00 0.00 C ATOM 1162 O ARG A 80 4.120 9.842 2.346 1.00 0.00 O ATOM 1163 CB ARG A 80 2.314 8.809 4.969 1.00 0.00 C ATOM 1164 CG ARG A 80 1.729 9.190 6.319 1.00 0.00 C ATOM 1165 CD ARG A 80 2.117 8.191 7.397 1.00 0.00 C ATOM 1166 NE ARG A 80 3.344 8.579 8.087 1.00 0.00 N ATOM 1167 CZ ARG A 80 3.375 9.422 9.114 1.00 0.00 C ATOM 1168 NH1 ARG A 80 2.250 9.962 9.566 1.00 0.00 N ATOM 1169 NH2 ARG A 80 4.530 9.727 9.689 1.00 0.00 N ATOM 0 H ARG A 80 0.293 10.077 4.345 1.00 0.00 H new ATOM 0 HA ARG A 80 2.964 10.771 4.377 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.728 7.994 4.546 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.326 8.432 5.115 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.078 10.184 6.600 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.643 9.242 6.244 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.306 8.105 8.120 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.249 7.207 6.948 1.00 0.00 H new ATOM 0 HE ARG A 80 4.226 8.181 7.763 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.360 9.730 9.125 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.276 10.609 10.354 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.396 9.315 9.343 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.552 10.374 10.477 1.00 0.00 H new ATOM 1183 N TYR A 81 2.227 8.713 1.896 1.00 0.00 N ATOM 1184 CA TYR A 81 2.709 8.196 0.621 1.00 0.00 C ATOM 1185 C TYR A 81 2.928 9.327 -0.377 1.00 0.00 C ATOM 1186 O TYR A 81 3.903 9.327 -1.131 1.00 0.00 O ATOM 1187 CB TYR A 81 1.716 7.182 0.050 1.00 0.00 C ATOM 1188 CG TYR A 81 2.126 6.625 -1.295 1.00 0.00 C ATOM 1189 CD1 TYR A 81 3.063 5.604 -1.390 1.00 0.00 C ATOM 1190 CD2 TYR A 81 1.575 7.120 -2.471 1.00 0.00 C ATOM 1191 CE1 TYR A 81 3.441 5.093 -2.617 1.00 0.00 C ATOM 1192 CE2 TYR A 81 1.945 6.615 -3.701 1.00 0.00 C ATOM 1193 CZ TYR A 81 2.879 5.601 -3.769 1.00 0.00 C ATOM 1194 OH TYR A 81 3.251 5.096 -4.994 1.00 0.00 O ATOM 0 H TYR A 81 1.280 8.421 2.139 1.00 0.00 H new ATOM 0 HA TYR A 81 3.664 7.700 0.796 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.604 6.359 0.756 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.739 7.656 -0.045 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.504 5.203 -0.489 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.844 7.914 -2.421 1.00 0.00 H new ATOM 0 HE1 TYR A 81 4.172 4.300 -2.673 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.506 7.011 -4.605 1.00 0.00 H new ATOM 0 HH TYR A 81 2.761 5.563 -5.703 1.00 0.00 H new ATOM 1204 N LYS A 82 2.015 10.292 -0.378 1.00 0.00 N ATOM 1205 CA LYS A 82 2.107 11.433 -1.281 1.00 0.00 C ATOM 1206 C LYS A 82 3.405 12.203 -1.057 1.00 0.00 C ATOM 1207 O LYS A 82 4.120 12.526 -2.006 1.00 0.00 O ATOM 1208 CB LYS A 82 0.909 12.364 -1.084 1.00 0.00 C ATOM 1209 CG LYS A 82 -0.424 11.721 -1.427 1.00 0.00 C ATOM 1210 CD LYS A 82 -1.569 12.712 -1.306 1.00 0.00 C ATOM 1211 CE LYS A 82 -2.739 12.324 -2.196 1.00 0.00 C ATOM 1212 NZ LYS A 82 -3.803 13.367 -2.199 1.00 0.00 N ATOM 0 H LYS A 82 1.202 10.307 0.237 1.00 0.00 H new ATOM 0 HA LYS A 82 2.102 11.055 -2.303 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.886 12.698 -0.047 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.044 13.252 -1.702 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.388 11.327 -2.443 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.602 10.875 -0.763 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.900 12.762 -0.269 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.219 13.708 -1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.384 12.165 -3.214 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.158 11.378 -1.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.583 13.065 -2.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.160 13.501 -1.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.410 14.263 -2.550 1.00 0.00 H new ATOM 1226 N LYS A 83 3.704 12.492 0.205 1.00 0.00 N ATOM 1227 CA LYS A 83 4.918 13.221 0.556 1.00 0.00 C ATOM 1228 C LYS A 83 6.157 12.366 0.310 1.00 0.00 C ATOM 1229 O LYS A 83 7.216 12.880 -0.050 1.00 0.00 O ATOM 1230 CB LYS A 83 4.869 13.656 2.022 1.00 0.00 C ATOM 1231 CG LYS A 83 4.820 12.495 3.001 1.00 0.00 C ATOM 1232 CD LYS A 83 5.403 12.879 4.351 1.00 0.00 C ATOM 1233 CE LYS A 83 5.349 11.717 5.331 1.00 0.00 C ATOM 1234 NZ LYS A 83 6.266 11.924 6.486 1.00 0.00 N ATOM 0 H LYS A 83 3.123 12.233 1.002 1.00 0.00 H new ATOM 0 HA LYS A 83 4.977 14.106 -0.078 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.745 14.267 2.240 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.994 14.287 2.176 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.788 12.169 3.129 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.373 11.649 2.592 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.436 13.202 4.224 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.852 13.727 4.759 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.329 11.595 5.694 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.616 10.794 4.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.201 11.111 7.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.243 12.015 6.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.996 12.791 6.993 1.00 0.00 H new ATOM 1248 N LEU A 84 6.016 11.060 0.504 1.00 0.00 N ATOM 1249 CA LEU A 84 7.125 10.131 0.301 1.00 0.00 C ATOM 1250 C LEU A 84 7.583 10.142 -1.154 1.00 0.00 C ATOM 1251 O LEU A 84 8.774 10.025 -1.440 1.00 0.00 O ATOM 1252 CB LEU A 84 6.712 8.716 0.708 1.00 0.00 C ATOM 1253 CG LEU A 84 6.903 8.360 2.182 1.00 0.00 C ATOM 1254 CD1 LEU A 84 6.435 6.938 2.453 1.00 0.00 C ATOM 1255 CD2 LEU A 84 8.360 8.528 2.588 1.00 0.00 C ATOM 0 H LEU A 84 5.146 10.619 0.801 1.00 0.00 H new ATOM 0 HA LEU A 84 7.957 10.453 0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.661 8.579 0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.280 8.006 0.107 1.00 0.00 H new ATOM 0 HG LEU A 84 6.298 9.041 2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.579 6.702 3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.378 6.849 2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.012 6.243 1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.476 8.270 3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.985 7.871 1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.664 9.563 2.432 1.00 0.00 H new ATOM 1267 N GLN A 85 6.629 10.284 -2.069 1.00 0.00 N ATOM 1268 CA GLN A 85 6.936 10.311 -3.494 1.00 0.00 C ATOM 1269 C GLN A 85 7.628 11.614 -3.878 1.00 0.00 C ATOM 1270 O GLN A 85 8.600 11.615 -4.633 1.00 0.00 O ATOM 1271 CB GLN A 85 5.658 10.137 -4.316 1.00 0.00 C ATOM 1272 CG GLN A 85 5.098 8.724 -4.278 1.00 0.00 C ATOM 1273 CD GLN A 85 6.135 7.676 -4.633 1.00 0.00 C ATOM 1274 OE1 GLN A 85 7.021 7.368 -3.835 1.00 0.00 O ATOM 1275 NE2 GLN A 85 6.029 7.121 -5.834 1.00 0.00 N ATOM 0 H GLN A 85 5.638 10.382 -1.849 1.00 0.00 H new ATOM 0 HA GLN A 85 7.613 9.485 -3.709 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.901 10.829 -3.946 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.862 10.411 -5.351 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.706 8.519 -3.282 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.260 8.650 -4.971 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.279 7.407 -6.463 1.00 0.00 H new ATOM 0 HE22 GLN A 85 6.698 6.409 -6.128 1.00 0.00 H new ATOM 1284 N PHE A 86 7.119 12.725 -3.354 1.00 0.00 N ATOM 1285 CA PHE A 86 7.687 14.037 -3.642 1.00 0.00 C ATOM 1286 C PHE A 86 9.187 14.053 -3.365 1.00 0.00 C ATOM 1287 O PHE A 86 9.987 14.375 -4.243 1.00 0.00 O ATOM 1288 CB PHE A 86 6.991 15.113 -2.806 1.00 0.00 C ATOM 1289 CG PHE A 86 7.088 16.489 -3.399 1.00 0.00 C ATOM 1290 CD1 PHE A 86 6.224 16.886 -4.408 1.00 0.00 C ATOM 1291 CD2 PHE A 86 8.043 17.386 -2.948 1.00 0.00 C ATOM 1292 CE1 PHE A 86 6.311 18.152 -4.955 1.00 0.00 C ATOM 1293 CE2 PHE A 86 8.133 18.654 -3.492 1.00 0.00 C ATOM 1294 CZ PHE A 86 7.267 19.037 -4.498 1.00 0.00 C ATOM 0 H PHE A 86 6.314 12.742 -2.728 1.00 0.00 H new ATOM 0 HA PHE A 86 7.528 14.249 -4.699 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.940 14.849 -2.691 1.00 0.00 H new ATOM 0 HB3 PHE A 86 7.428 15.125 -1.807 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.475 16.198 -4.771 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.724 17.092 -2.163 1.00 0.00 H new ATOM 0 HE1 PHE A 86 5.631 18.449 -5.740 1.00 0.00 H new ATOM 0 HE2 PHE A 86 8.880 19.345 -3.131 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.338 20.026 -4.926 1.00 0.00 H new