USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 649 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 69 CYS SG : rot 152:sc= 0.791 USER MOD Set 1.2: A 72 CYS SG : rot -34:sc= 0.0564 USER MOD Set 1.3: A 82 ASN : amide:sc= -4.31! C(o=-5.2!,f=-7.2!) USER MOD Set 1.4: A 91 HIS : no HE2:sc= -1.28! C(o=-5.2!,f=-14!) USER MOD Set 1.5: A 94 CYS SG : rot 154:sc= -0.507 USER MOD Set 2.1: A 36 CYS SG : rot 150:sc= 0.208 USER MOD Set 2.2: A 39 CYS SG : rot -60:sc= -0.712 USER MOD Set 2.3: A 57 CYS SG : rot -131:sc= -0.793 USER MOD Set 2.4: A 60 CYS SG : rot 150:sc= -0.84 USER MOD Set 3.1: A 8 CYS SG : rot -10:sc= -0.336 USER MOD Set 3.2: A 11 CYS SG : rot -46:sc= -2.02 USER MOD Set 3.3: A 30 HIS : no HE2:sc= -1.76 K(o=-4.7,f=-9.5) USER MOD Set 3.4: A 33 CYS SG : rot 180:sc= -0.547 USER MOD Single : A 13 LYS NZ :NH3+ 153:sc= -0.094 (180deg=-0.855) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -2.51 K(o=-2.5,f=-1.1) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.454) USER MOD Single : A 26 ASN : amide:sc= -4.97! C(o=-5!,f=-6!) USER MOD Single : A 32 THR OG1 : rot -34:sc= 0.423 USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= -0.0418 (180deg=-0.282) USER MOD Single : A 41 HIS : no HD1:sc= -0.983 X(o=-0.98,f=-1.4) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -172:sc= -0.139 (180deg=-0.253) USER MOD Single : A 53 ASN : amide:sc= -0.118 K(o=-0.12,f=-2.5!) USER MOD Single : A 54 LYS NZ :NH3+ -104:sc= 0.0334 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -36:sc= 0.456 USER MOD Single : A 68 LYS NZ :NH3+ 169:sc= -0.663 (180deg=-0.917) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -3.06! C(o=-3.1!,f=-3!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 14:sc= 0.437 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -4.443 17.590 -12.490 1.00 0.00 N ATOM 60 CA GLY A 7 -5.273 16.949 -11.488 1.00 0.00 C ATOM 61 C GLY A 7 -4.982 15.467 -11.354 1.00 0.00 C ATOM 62 O GLY A 7 -4.325 14.877 -12.212 1.00 0.00 O ATOM 0 HA2 GLY A 7 -5.116 17.435 -10.525 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.323 17.088 -11.747 1.00 0.00 H new ATOM 66 N CYS A 8 -5.469 14.865 -10.275 1.00 0.00 N ATOM 67 CA CYS A 8 -5.256 13.444 -10.030 1.00 0.00 C ATOM 68 C CYS A 8 -6.520 12.644 -10.333 1.00 0.00 C ATOM 69 O CYS A 8 -7.635 13.125 -10.132 1.00 0.00 O ATOM 70 CB CYS A 8 -4.828 13.213 -8.580 1.00 0.00 C ATOM 71 SG CYS A 8 -4.097 11.573 -8.271 1.00 0.00 S ATOM 0 H CYS A 8 -6.014 15.340 -9.555 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.463 13.102 -10.694 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -4.105 13.979 -8.299 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.695 13.340 -7.932 1.00 0.00 H new ATOM 0 HG CYS A 8 -4.271 10.817 -9.314 1.00 0.00 H new ATOM 76 N VAL A 9 -6.337 11.419 -10.816 1.00 0.00 N ATOM 77 CA VAL A 9 -7.462 10.551 -11.144 1.00 0.00 C ATOM 78 C VAL A 9 -7.784 9.609 -9.990 1.00 0.00 C ATOM 79 O VAL A 9 -8.786 8.895 -10.021 1.00 0.00 O ATOM 80 CB VAL A 9 -7.178 9.719 -12.409 1.00 0.00 C ATOM 81 CG1 VAL A 9 -6.750 10.620 -13.557 1.00 0.00 C ATOM 82 CG2 VAL A 9 -6.118 8.665 -12.125 1.00 0.00 C ATOM 0 H VAL A 9 -5.421 11.005 -10.989 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.319 11.199 -11.329 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.096 9.210 -12.702 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.554 10.014 -14.442 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.544 11.334 -13.775 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.844 11.159 -13.278 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.929 8.086 -13.029 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.196 9.152 -11.807 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.468 8.000 -11.335 1.00 0.00 H new ATOM 92 N GLU A 10 -6.928 9.613 -8.973 1.00 0.00 N ATOM 93 CA GLU A 10 -7.123 8.757 -7.809 1.00 0.00 C ATOM 94 C GLU A 10 -7.921 9.481 -6.729 1.00 0.00 C ATOM 95 O GLU A 10 -8.964 9.000 -6.283 1.00 0.00 O ATOM 96 CB GLU A 10 -5.772 8.309 -7.246 1.00 0.00 C ATOM 97 CG GLU A 10 -5.275 6.997 -7.830 1.00 0.00 C ATOM 98 CD GLU A 10 -6.110 5.810 -7.392 1.00 0.00 C ATOM 99 OE1 GLU A 10 -6.448 5.733 -6.193 1.00 0.00 O ATOM 100 OE2 GLU A 10 -6.426 4.958 -8.249 1.00 0.00 O ATOM 0 H GLU A 10 -6.094 10.199 -8.932 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.686 7.879 -8.126 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.032 9.086 -7.438 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.854 8.207 -6.164 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.284 7.061 -8.918 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.239 6.839 -7.529 1.00 0.00 H new ATOM 107 N CYS A 11 -7.425 10.641 -6.311 1.00 0.00 N ATOM 108 CA CYS A 11 -8.089 11.432 -5.283 1.00 0.00 C ATOM 109 C CYS A 11 -8.828 12.616 -5.901 1.00 0.00 C ATOM 110 O CYS A 11 -9.205 13.558 -5.203 1.00 0.00 O ATOM 111 CB CYS A 11 -7.071 11.932 -4.257 1.00 0.00 C ATOM 112 SG CYS A 11 -5.654 12.816 -4.985 1.00 0.00 S ATOM 0 H CYS A 11 -6.564 11.054 -6.669 1.00 0.00 H new ATOM 0 HA CYS A 11 -8.816 10.793 -4.782 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -7.576 12.594 -3.553 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.700 11.082 -3.685 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.199 12.144 -6.000 1.00 0.00 H new ATOM 117 N ARG A 12 -9.031 12.560 -7.213 1.00 0.00 N ATOM 118 CA ARG A 12 -9.724 13.628 -7.925 1.00 0.00 C ATOM 119 C ARG A 12 -9.365 14.992 -7.343 1.00 0.00 C ATOM 120 O ARG A 12 -10.218 15.871 -7.221 1.00 0.00 O ATOM 121 CB ARG A 12 -11.237 13.415 -7.858 1.00 0.00 C ATOM 122 CG ARG A 12 -11.783 12.561 -8.992 1.00 0.00 C ATOM 123 CD ARG A 12 -11.465 11.089 -8.783 1.00 0.00 C ATOM 124 NE ARG A 12 -12.347 10.473 -7.795 1.00 0.00 N ATOM 125 CZ ARG A 12 -12.381 9.168 -7.553 1.00 0.00 C ATOM 126 NH1 ARG A 12 -11.586 8.345 -8.223 1.00 0.00 N ATOM 127 NH2 ARG A 12 -13.211 8.683 -6.638 1.00 0.00 N ATOM 0 H ARG A 12 -8.726 11.787 -7.805 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.406 13.602 -8.967 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.487 12.945 -6.907 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.733 14.385 -7.874 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -12.862 12.695 -9.063 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.358 12.896 -9.938 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.558 10.560 -9.731 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.429 10.984 -8.460 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.971 11.079 -7.262 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.946 8.714 -8.926 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.614 7.343 -8.035 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.824 9.313 -6.120 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.236 7.680 -6.453 1.00 0.00 H new ATOM 141 N LYS A 13 -8.096 15.161 -6.984 1.00 0.00 N ATOM 142 CA LYS A 13 -7.623 16.417 -6.416 1.00 0.00 C ATOM 143 C LYS A 13 -6.586 17.069 -7.325 1.00 0.00 C ATOM 144 O LYS A 13 -5.948 16.414 -8.149 1.00 0.00 O ATOM 145 CB LYS A 13 -7.022 16.178 -5.029 1.00 0.00 C ATOM 146 CG LYS A 13 -8.061 16.047 -3.929 1.00 0.00 C ATOM 147 CD LYS A 13 -7.536 16.563 -2.600 1.00 0.00 C ATOM 148 CE LYS A 13 -6.400 15.699 -2.076 1.00 0.00 C ATOM 149 NZ LYS A 13 -5.074 16.174 -2.559 1.00 0.00 N ATOM 0 H LYS A 13 -7.377 14.443 -7.077 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.476 17.090 -6.326 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.417 15.271 -5.056 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.351 17.002 -4.787 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.958 16.601 -4.207 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.352 15.002 -3.825 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.189 17.589 -2.719 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.346 16.583 -1.871 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.413 15.704 -0.986 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.553 14.667 -2.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.338 15.902 -1.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.866 15.743 -3.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.090 17.209 -2.656 1.00 0.00 H new ATOM 163 N PRO A 14 -6.412 18.390 -7.173 1.00 0.00 N ATOM 164 CA PRO A 14 -5.452 19.159 -7.971 1.00 0.00 C ATOM 165 C PRO A 14 -4.007 18.829 -7.615 1.00 0.00 C ATOM 166 O PRO A 14 -3.680 18.609 -6.449 1.00 0.00 O ATOM 167 CB PRO A 14 -5.774 20.612 -7.609 1.00 0.00 C ATOM 168 CG PRO A 14 -6.388 20.538 -6.254 1.00 0.00 C ATOM 169 CD PRO A 14 -7.139 19.235 -6.210 1.00 0.00 C ATOM 0 HA PRO A 14 -5.539 18.941 -9.035 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.874 21.227 -7.603 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.459 21.057 -8.330 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.624 20.575 -5.477 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.058 21.381 -6.083 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.133 18.801 -5.210 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.183 19.363 -6.496 1.00 0.00 H new ATOM 177 N ILE A 15 -3.146 18.796 -8.627 1.00 0.00 N ATOM 178 CA ILE A 15 -1.735 18.495 -8.420 1.00 0.00 C ATOM 179 C ILE A 15 -0.880 19.750 -8.548 1.00 0.00 C ATOM 180 O ILE A 15 -1.114 20.588 -9.418 1.00 0.00 O ATOM 181 CB ILE A 15 -1.232 17.439 -9.422 1.00 0.00 C ATOM 182 CG1 ILE A 15 -2.018 16.136 -9.262 1.00 0.00 C ATOM 183 CG2 ILE A 15 0.257 17.194 -9.230 1.00 0.00 C ATOM 184 CD1 ILE A 15 -1.724 15.117 -10.341 1.00 0.00 C ATOM 0 H ILE A 15 -3.401 18.974 -9.598 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.642 18.098 -7.409 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.391 17.814 -10.433 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.789 15.700 -8.290 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.084 16.361 -9.267 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.598 16.445 -9.945 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.802 18.124 -9.391 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.439 16.837 -8.216 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.316 14.219 -10.164 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.980 15.534 -11.315 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.664 14.863 -10.322 1.00 0.00 H new ATOM 196 N GLY A 16 0.115 19.874 -7.675 1.00 0.00 N ATOM 197 CA GLY A 16 0.993 21.029 -7.709 1.00 0.00 C ATOM 198 C GLY A 16 2.276 20.761 -8.470 1.00 0.00 C ATOM 199 O GLY A 16 2.611 19.611 -8.750 1.00 0.00 O ATOM 0 H GLY A 16 0.329 19.195 -6.945 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.469 21.866 -8.170 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.235 21.327 -6.689 1.00 0.00 H new ATOM 203 N ALA A 17 2.994 21.827 -8.809 1.00 0.00 N ATOM 204 CA ALA A 17 4.248 21.701 -9.543 1.00 0.00 C ATOM 205 C ALA A 17 5.328 21.059 -8.678 1.00 0.00 C ATOM 206 O ALA A 17 5.989 20.110 -9.099 1.00 0.00 O ATOM 207 CB ALA A 17 4.707 23.064 -10.039 1.00 0.00 C ATOM 0 H ALA A 17 2.729 22.787 -8.587 1.00 0.00 H new ATOM 0 HA ALA A 17 4.075 21.053 -10.402 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.644 22.956 -10.585 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.949 23.485 -10.699 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.858 23.729 -9.189 1.00 0.00 H new ATOM 213 N ASP A 18 5.501 21.583 -7.470 1.00 0.00 N ATOM 214 CA ASP A 18 6.501 21.060 -6.547 1.00 0.00 C ATOM 215 C ASP A 18 6.197 19.611 -6.179 1.00 0.00 C ATOM 216 O ASP A 18 7.107 18.811 -5.964 1.00 0.00 O ATOM 217 CB ASP A 18 6.557 21.919 -5.282 1.00 0.00 C ATOM 218 CG ASP A 18 6.899 23.366 -5.579 1.00 0.00 C ATOM 219 OD1 ASP A 18 5.963 24.161 -5.806 1.00 0.00 O ATOM 220 OD2 ASP A 18 8.101 23.702 -5.586 1.00 0.00 O ATOM 0 H ASP A 18 4.962 22.369 -7.107 1.00 0.00 H new ATOM 0 HA ASP A 18 7.471 21.094 -7.044 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.594 21.873 -4.773 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.299 21.506 -4.599 1.00 0.00 H new ATOM 225 N SER A 19 4.912 19.281 -6.109 1.00 0.00 N ATOM 226 CA SER A 19 4.487 17.930 -5.763 1.00 0.00 C ATOM 227 C SER A 19 4.874 16.941 -6.859 1.00 0.00 C ATOM 228 O SER A 19 4.494 17.102 -8.019 1.00 0.00 O ATOM 229 CB SER A 19 2.975 17.890 -5.535 1.00 0.00 C ATOM 230 OG SER A 19 2.575 18.871 -4.595 1.00 0.00 O ATOM 0 H SER A 19 4.146 19.931 -6.287 1.00 0.00 H new ATOM 0 HA SER A 19 4.993 17.642 -4.842 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.457 18.055 -6.480 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.684 16.901 -5.180 1.00 0.00 H new ATOM 0 HG SER A 19 1.604 18.826 -4.468 1.00 0.00 H new ATOM 236 N LYS A 20 5.633 15.918 -6.483 1.00 0.00 N ATOM 237 CA LYS A 20 6.072 14.901 -7.431 1.00 0.00 C ATOM 238 C LYS A 20 4.878 14.178 -8.046 1.00 0.00 C ATOM 239 O LYS A 20 4.246 13.345 -7.398 1.00 0.00 O ATOM 240 CB LYS A 20 6.992 13.892 -6.740 1.00 0.00 C ATOM 241 CG LYS A 20 8.432 14.360 -6.626 1.00 0.00 C ATOM 242 CD LYS A 20 9.206 14.098 -7.907 1.00 0.00 C ATOM 243 CE LYS A 20 9.615 12.637 -8.022 1.00 0.00 C ATOM 244 NZ LYS A 20 10.113 12.306 -9.386 1.00 0.00 N ATOM 0 H LYS A 20 5.957 15.771 -5.527 1.00 0.00 H new ATOM 0 HA LYS A 20 6.623 15.399 -8.229 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.606 13.685 -5.742 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.967 12.953 -7.292 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.452 15.426 -6.399 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.917 13.848 -5.795 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.594 14.374 -8.766 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.095 14.729 -7.932 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.392 12.419 -7.289 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.763 12.001 -7.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.381 11.302 -9.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.364 12.490 -10.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.942 12.894 -9.605 1.00 0.00 H new ATOM 258 N GLU A 21 4.576 14.503 -9.299 1.00 0.00 N ATOM 259 CA GLU A 21 3.458 13.883 -10.000 1.00 0.00 C ATOM 260 C GLU A 21 3.955 12.937 -11.089 1.00 0.00 C ATOM 261 O GLU A 21 5.107 13.015 -11.517 1.00 0.00 O ATOM 262 CB GLU A 21 2.555 14.955 -10.614 1.00 0.00 C ATOM 263 CG GLU A 21 3.202 15.713 -11.761 1.00 0.00 C ATOM 264 CD GLU A 21 2.186 16.257 -12.747 1.00 0.00 C ATOM 265 OE1 GLU A 21 1.675 15.467 -13.568 1.00 0.00 O ATOM 266 OE2 GLU A 21 1.904 17.472 -12.698 1.00 0.00 O ATOM 0 H GLU A 21 5.090 15.192 -9.849 1.00 0.00 H new ATOM 0 HA GLU A 21 2.884 13.305 -9.276 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.639 14.485 -10.971 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.268 15.664 -9.838 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.791 16.538 -11.360 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.893 15.052 -12.284 1.00 0.00 H new ATOM 273 N VAL A 22 3.078 12.043 -11.534 1.00 0.00 N ATOM 274 CA VAL A 22 3.427 11.082 -12.574 1.00 0.00 C ATOM 275 C VAL A 22 2.460 11.169 -13.749 1.00 0.00 C ATOM 276 O VAL A 22 1.322 10.704 -13.667 1.00 0.00 O ATOM 277 CB VAL A 22 3.426 9.641 -12.029 1.00 0.00 C ATOM 278 CG1 VAL A 22 4.037 8.686 -13.043 1.00 0.00 C ATOM 279 CG2 VAL A 22 4.172 9.573 -10.704 1.00 0.00 C ATOM 0 H VAL A 22 2.121 11.964 -11.191 1.00 0.00 H new ATOM 0 HA VAL A 22 4.431 11.334 -12.914 1.00 0.00 H new ATOM 0 HB VAL A 22 2.394 9.337 -11.856 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.028 7.673 -12.640 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.457 8.715 -13.966 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.065 8.984 -13.251 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.162 8.548 -10.333 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.203 9.896 -10.850 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.686 10.226 -9.979 1.00 0.00 H new ATOM 289 N HIS A 23 2.920 11.767 -14.844 1.00 0.00 N ATOM 290 CA HIS A 23 2.095 11.914 -16.038 1.00 0.00 C ATOM 291 C HIS A 23 2.249 10.705 -16.956 1.00 0.00 C ATOM 292 O HIS A 23 3.304 10.498 -17.555 1.00 0.00 O ATOM 293 CB HIS A 23 2.473 13.191 -16.790 1.00 0.00 C ATOM 294 CG HIS A 23 1.922 13.252 -18.181 1.00 0.00 C ATOM 295 ND1 HIS A 23 2.639 13.740 -19.253 1.00 0.00 N ATOM 296 CD2 HIS A 23 0.717 12.881 -18.673 1.00 0.00 C ATOM 297 CE1 HIS A 23 1.897 13.669 -20.344 1.00 0.00 C ATOM 298 NE2 HIS A 23 0.727 13.150 -20.020 1.00 0.00 N ATOM 0 H HIS A 23 3.859 12.157 -14.929 1.00 0.00 H new ATOM 0 HA HIS A 23 1.053 11.980 -15.725 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.115 14.053 -16.228 1.00 0.00 H new ATOM 0 HB3 HIS A 23 3.559 13.269 -16.835 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -0.100 12.453 -18.111 1.00 0.00 H new ATOM 0 HE1 HIS A 23 2.197 13.982 -21.333 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -0.044 12.977 -20.665 1.00 0.00 H new ATOM 307 N TYR A 24 1.189 9.910 -17.061 1.00 0.00 N ATOM 308 CA TYR A 24 1.207 8.720 -17.903 1.00 0.00 C ATOM 309 C TYR A 24 -0.194 8.390 -18.410 1.00 0.00 C ATOM 310 O TYR A 24 -1.186 8.610 -17.715 1.00 0.00 O ATOM 311 CB TYR A 24 1.775 7.530 -17.129 1.00 0.00 C ATOM 312 CG TYR A 24 2.425 6.488 -18.011 1.00 0.00 C ATOM 313 CD1 TYR A 24 3.536 6.799 -18.785 1.00 0.00 C ATOM 314 CD2 TYR A 24 1.927 5.192 -18.071 1.00 0.00 C ATOM 315 CE1 TYR A 24 4.132 5.851 -19.593 1.00 0.00 C ATOM 316 CE2 TYR A 24 2.518 4.237 -18.875 1.00 0.00 C ATOM 317 CZ TYR A 24 3.620 4.571 -19.634 1.00 0.00 C ATOM 318 OH TYR A 24 4.211 3.622 -20.437 1.00 0.00 O ATOM 0 H TYR A 24 0.307 10.069 -16.574 1.00 0.00 H new ATOM 0 HA TYR A 24 1.846 8.924 -18.762 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.508 7.893 -16.409 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.973 7.062 -16.559 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.941 7.800 -18.754 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.063 4.927 -17.479 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.994 6.110 -20.189 1.00 0.00 H new ATOM 0 HE2 TYR A 24 2.119 3.234 -18.909 1.00 0.00 H new ATOM 0 HH TYR A 24 3.729 2.773 -20.349 1.00 0.00 H new ATOM 328 N LYS A 25 -0.266 7.861 -19.626 1.00 0.00 N ATOM 329 CA LYS A 25 -1.544 7.497 -20.228 1.00 0.00 C ATOM 330 C LYS A 25 -2.545 8.642 -20.112 1.00 0.00 C ATOM 331 O LYS A 25 -3.653 8.461 -19.610 1.00 0.00 O ATOM 332 CB LYS A 25 -2.108 6.242 -19.558 1.00 0.00 C ATOM 333 CG LYS A 25 -1.193 5.034 -19.662 1.00 0.00 C ATOM 334 CD LYS A 25 -1.979 3.734 -19.611 1.00 0.00 C ATOM 335 CE LYS A 25 -2.163 3.250 -18.181 1.00 0.00 C ATOM 336 NZ LYS A 25 -3.252 3.987 -17.482 1.00 0.00 N ATOM 0 H LYS A 25 0.546 7.674 -20.215 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.374 7.292 -21.285 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.296 6.455 -18.506 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.069 5.999 -20.011 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.629 5.083 -20.593 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.468 5.054 -18.848 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.954 3.879 -20.076 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.460 2.971 -20.191 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.390 2.184 -18.185 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.230 3.375 -17.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.601 3.417 -16.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.885 4.893 -17.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.032 4.167 -18.146 1.00 0.00 H new ATOM 350 N ASN A 26 -2.147 9.820 -20.581 1.00 0.00 N ATOM 351 CA ASN A 26 -3.011 10.994 -20.531 1.00 0.00 C ATOM 352 C ASN A 26 -3.610 11.169 -19.139 1.00 0.00 C ATOM 353 O ASN A 26 -4.688 11.743 -18.984 1.00 0.00 O ATOM 354 CB ASN A 26 -4.129 10.876 -21.568 1.00 0.00 C ATOM 355 CG ASN A 26 -4.602 9.446 -21.748 1.00 0.00 C ATOM 356 OD1 ASN A 26 -3.943 8.641 -22.407 1.00 0.00 O ATOM 357 ND2 ASN A 26 -5.749 9.124 -21.162 1.00 0.00 N ATOM 0 H ASN A 26 -1.232 9.987 -21.000 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.404 11.870 -20.760 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.970 11.499 -21.264 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -3.776 11.262 -22.524 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.118 8.177 -21.248 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.262 9.824 -20.625 1.00 0.00 H new ATOM 364 N ARG A 27 -2.904 10.671 -18.129 1.00 0.00 N ATOM 365 CA ARG A 27 -3.366 10.772 -16.750 1.00 0.00 C ATOM 366 C ARG A 27 -2.261 11.307 -15.844 1.00 0.00 C ATOM 367 O ARG A 27 -1.137 11.542 -16.290 1.00 0.00 O ATOM 368 CB ARG A 27 -3.836 9.406 -16.247 1.00 0.00 C ATOM 369 CG ARG A 27 -5.008 8.838 -17.030 1.00 0.00 C ATOM 370 CD ARG A 27 -6.338 9.221 -16.398 1.00 0.00 C ATOM 371 NE ARG A 27 -6.711 8.313 -15.317 1.00 0.00 N ATOM 372 CZ ARG A 27 -7.963 8.125 -14.915 1.00 0.00 C ATOM 373 NH1 ARG A 27 -8.957 8.779 -15.501 1.00 0.00 N ATOM 374 NH2 ARG A 27 -8.224 7.282 -13.924 1.00 0.00 N ATOM 0 H ARG A 27 -2.010 10.193 -18.240 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.203 11.470 -16.723 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -3.003 8.704 -16.296 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.119 9.492 -15.198 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.973 9.204 -18.056 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.925 7.752 -17.075 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.276 10.238 -16.012 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.117 9.216 -17.161 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.970 7.795 -14.845 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.761 9.429 -16.263 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.917 8.632 -15.190 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.463 6.777 -13.470 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.186 7.139 -13.616 1.00 0.00 H new ATOM 388 N PHE A 28 -2.588 11.497 -14.570 1.00 0.00 N ATOM 389 CA PHE A 28 -1.624 12.006 -13.602 1.00 0.00 C ATOM 390 C PHE A 28 -1.931 11.482 -12.202 1.00 0.00 C ATOM 391 O PHE A 28 -3.070 11.544 -11.740 1.00 0.00 O ATOM 392 CB PHE A 28 -1.631 13.536 -13.598 1.00 0.00 C ATOM 393 CG PHE A 28 -1.629 14.139 -14.974 1.00 0.00 C ATOM 394 CD1 PHE A 28 -2.818 14.351 -15.653 1.00 0.00 C ATOM 395 CD2 PHE A 28 -0.439 14.493 -15.588 1.00 0.00 C ATOM 396 CE1 PHE A 28 -2.819 14.905 -16.920 1.00 0.00 C ATOM 397 CE2 PHE A 28 -0.434 15.047 -16.854 1.00 0.00 C ATOM 398 CZ PHE A 28 -1.626 15.254 -17.520 1.00 0.00 C ATOM 0 H PHE A 28 -3.513 11.306 -14.184 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.634 11.655 -13.894 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.511 13.886 -13.058 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.758 13.894 -13.052 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.754 14.081 -15.188 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.496 14.334 -15.071 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.752 15.064 -17.440 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.501 15.318 -17.322 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.625 15.688 -18.509 1.00 0.00 H new ATOM 408 N TRP A 29 -0.907 10.965 -11.533 1.00 0.00 N ATOM 409 CA TRP A 29 -1.066 10.429 -10.186 1.00 0.00 C ATOM 410 C TRP A 29 -0.090 11.088 -9.218 1.00 0.00 C ATOM 411 O TRP A 29 1.035 11.425 -9.589 1.00 0.00 O ATOM 412 CB TRP A 29 -0.854 8.914 -10.190 1.00 0.00 C ATOM 413 CG TRP A 29 -1.895 8.170 -10.972 1.00 0.00 C ATOM 414 CD1 TRP A 29 -3.074 7.670 -10.499 1.00 0.00 C ATOM 415 CD2 TRP A 29 -1.847 7.842 -12.365 1.00 0.00 C ATOM 416 NE1 TRP A 29 -3.763 7.051 -11.514 1.00 0.00 N ATOM 417 CE2 TRP A 29 -3.032 7.143 -12.668 1.00 0.00 C ATOM 418 CE3 TRP A 29 -0.921 8.072 -13.385 1.00 0.00 C ATOM 419 CZ2 TRP A 29 -3.311 6.673 -13.949 1.00 0.00 C ATOM 420 CZ3 TRP A 29 -1.199 7.604 -14.655 1.00 0.00 C ATOM 421 CH2 TRP A 29 -2.386 6.912 -14.929 1.00 0.00 C ATOM 0 H TRP A 29 0.042 10.906 -11.901 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.081 10.647 -9.853 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.129 8.693 -10.606 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.854 8.552 -9.162 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.415 7.749 -9.477 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.672 6.597 -11.423 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.004 8.606 -13.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -4.225 6.139 -14.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.489 7.775 -15.450 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -2.575 6.560 -15.933 1.00 0.00 H new ATOM 432 N HIS A 30 -0.527 11.271 -7.976 1.00 0.00 N ATOM 433 CA HIS A 30 0.309 11.890 -6.955 1.00 0.00 C ATOM 434 C HIS A 30 1.497 10.997 -6.610 1.00 0.00 C ATOM 435 O HIS A 30 1.556 9.839 -7.024 1.00 0.00 O ATOM 436 CB HIS A 30 -0.512 12.174 -5.696 1.00 0.00 C ATOM 437 CG HIS A 30 -1.324 13.430 -5.782 1.00 0.00 C ATOM 438 ND1 HIS A 30 -2.685 13.432 -6.000 1.00 0.00 N ATOM 439 CD2 HIS A 30 -0.959 14.729 -5.674 1.00 0.00 C ATOM 440 CE1 HIS A 30 -3.123 14.678 -6.026 1.00 0.00 C ATOM 441 NE2 HIS A 30 -2.095 15.485 -5.830 1.00 0.00 N ATOM 0 H HIS A 30 -1.455 10.999 -7.653 1.00 0.00 H new ATOM 0 HA HIS A 30 0.688 12.831 -7.353 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.179 11.332 -5.509 1.00 0.00 H new ATOM 0 HB3 HIS A 30 0.161 12.244 -4.841 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -3.264 12.601 -6.122 1.00 0.00 H new ATOM 0 HD2 HIS A 30 0.039 15.101 -5.498 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.147 14.985 -6.181 1.00 0.00 H new ATOM 449 N ASP A 31 2.442 11.543 -5.853 1.00 0.00 N ATOM 450 CA ASP A 31 3.629 10.796 -5.453 1.00 0.00 C ATOM 451 C ASP A 31 3.269 9.696 -4.460 1.00 0.00 C ATOM 452 O ASP A 31 4.119 8.896 -4.067 1.00 0.00 O ATOM 453 CB ASP A 31 4.666 11.736 -4.838 1.00 0.00 C ATOM 454 CG ASP A 31 4.471 11.917 -3.345 1.00 0.00 C ATOM 455 OD1 ASP A 31 3.558 12.672 -2.954 1.00 0.00 O ATOM 456 OD2 ASP A 31 5.233 11.303 -2.568 1.00 0.00 O ATOM 0 H ASP A 31 2.409 12.501 -5.504 1.00 0.00 H new ATOM 0 HA ASP A 31 4.054 10.332 -6.343 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.665 11.343 -5.026 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.608 12.707 -5.329 1.00 0.00 H new ATOM 461 N THR A 32 2.003 9.661 -4.055 1.00 0.00 N ATOM 462 CA THR A 32 1.531 8.661 -3.106 1.00 0.00 C ATOM 463 C THR A 32 0.362 7.867 -3.680 1.00 0.00 C ATOM 464 O THR A 32 -0.051 6.855 -3.113 1.00 0.00 O ATOM 465 CB THR A 32 1.094 9.309 -1.778 1.00 0.00 C ATOM 466 OG1 THR A 32 0.626 8.303 -0.873 1.00 0.00 O ATOM 467 CG2 THR A 32 -0.002 10.337 -2.013 1.00 0.00 C ATOM 0 H THR A 32 1.286 10.315 -4.370 1.00 0.00 H new ATOM 0 HA THR A 32 2.366 7.987 -2.915 1.00 0.00 H new ATOM 0 HB THR A 32 1.957 9.814 -1.344 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.184 7.589 -1.378 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.294 10.781 -1.061 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.367 11.117 -2.679 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.865 9.851 -2.467 1.00 0.00 H new ATOM 475 N CYS A 33 -0.166 8.332 -4.807 1.00 0.00 N ATOM 476 CA CYS A 33 -1.287 7.666 -5.458 1.00 0.00 C ATOM 477 C CYS A 33 -0.796 6.695 -6.528 1.00 0.00 C ATOM 478 O CYS A 33 -1.445 5.688 -6.813 1.00 0.00 O ATOM 479 CB CYS A 33 -2.227 8.698 -6.084 1.00 0.00 C ATOM 480 SG CYS A 33 -3.222 9.627 -4.873 1.00 0.00 S ATOM 0 H CYS A 33 0.165 9.168 -5.289 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.831 7.101 -4.701 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.637 9.402 -6.671 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.898 8.190 -6.776 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.983 10.476 -5.497 1.00 0.00 H new ATOM 485 N PHE A 34 0.355 7.003 -7.115 1.00 0.00 N ATOM 486 CA PHE A 34 0.934 6.159 -8.154 1.00 0.00 C ATOM 487 C PHE A 34 1.642 4.953 -7.543 1.00 0.00 C ATOM 488 O PHE A 34 2.711 5.084 -6.948 1.00 0.00 O ATOM 489 CB PHE A 34 1.917 6.964 -9.006 1.00 0.00 C ATOM 490 CG PHE A 34 2.450 6.203 -10.187 1.00 0.00 C ATOM 491 CD1 PHE A 34 1.605 5.808 -11.211 1.00 0.00 C ATOM 492 CD2 PHE A 34 3.795 5.883 -10.272 1.00 0.00 C ATOM 493 CE1 PHE A 34 2.092 5.108 -12.299 1.00 0.00 C ATOM 494 CE2 PHE A 34 4.288 5.184 -11.357 1.00 0.00 C ATOM 495 CZ PHE A 34 3.435 4.795 -12.372 1.00 0.00 C ATOM 0 H PHE A 34 0.906 7.831 -6.889 1.00 0.00 H new ATOM 0 HA PHE A 34 0.124 5.800 -8.789 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.422 7.869 -9.360 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.752 7.281 -8.381 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.554 6.050 -11.159 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.466 6.183 -9.481 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.423 4.806 -13.091 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.339 4.942 -11.412 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.818 4.247 -13.221 1.00 0.00 H new ATOM 505 N ARG A 35 1.036 3.780 -7.695 1.00 0.00 N ATOM 506 CA ARG A 35 1.607 2.551 -7.157 1.00 0.00 C ATOM 507 C ARG A 35 1.082 1.332 -7.911 1.00 0.00 C ATOM 508 O ARG A 35 0.326 1.463 -8.874 1.00 0.00 O ATOM 509 CB ARG A 35 1.282 2.422 -5.668 1.00 0.00 C ATOM 510 CG ARG A 35 -0.195 2.589 -5.350 1.00 0.00 C ATOM 511 CD ARG A 35 -1.003 1.382 -5.799 1.00 0.00 C ATOM 512 NE ARG A 35 -1.594 1.579 -7.120 1.00 0.00 N ATOM 513 CZ ARG A 35 -2.616 2.394 -7.353 1.00 0.00 C ATOM 514 NH1 ARG A 35 -3.157 3.085 -6.360 1.00 0.00 N ATOM 515 NH2 ARG A 35 -3.098 2.520 -8.583 1.00 0.00 N ATOM 0 H ARG A 35 0.151 3.655 -8.186 1.00 0.00 H new ATOM 0 HA ARG A 35 2.689 2.597 -7.283 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.612 1.445 -5.316 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.851 3.169 -5.115 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.323 2.735 -4.277 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.575 3.485 -5.841 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.360 0.502 -5.817 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.793 1.185 -5.074 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.200 1.062 -7.906 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.788 2.992 -5.414 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.942 3.710 -6.542 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.683 1.991 -9.350 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.883 3.146 -8.761 1.00 0.00 H new ATOM 529 N CYS A 36 1.488 0.148 -7.466 1.00 0.00 N ATOM 530 CA CYS A 36 1.060 -1.094 -8.098 1.00 0.00 C ATOM 531 C CYS A 36 -0.342 -1.484 -7.639 1.00 0.00 C ATOM 532 O CYS A 36 -0.626 -1.522 -6.442 1.00 0.00 O ATOM 533 CB CYS A 36 2.045 -2.220 -7.776 1.00 0.00 C ATOM 534 SG CYS A 36 1.729 -3.767 -8.685 1.00 0.00 S ATOM 0 H CYS A 36 2.113 0.022 -6.670 1.00 0.00 H new ATOM 0 HA CYS A 36 1.039 -0.935 -9.176 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.056 -1.879 -8.000 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.008 -2.426 -6.706 1.00 0.00 H new ATOM 0 HG CYS A 36 2.851 -4.396 -8.874 1.00 0.00 H new ATOM 539 N ALA A 37 -1.214 -1.772 -8.599 1.00 0.00 N ATOM 540 CA ALA A 37 -2.586 -2.161 -8.294 1.00 0.00 C ATOM 541 C ALA A 37 -2.663 -3.628 -7.887 1.00 0.00 C ATOM 542 O ALA A 37 -3.745 -4.214 -7.838 1.00 0.00 O ATOM 543 CB ALA A 37 -3.488 -1.894 -9.489 1.00 0.00 C ATOM 0 H ALA A 37 -0.995 -1.743 -9.595 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.930 -1.560 -7.452 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.509 -2.189 -9.247 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.465 -0.832 -9.732 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.137 -2.470 -10.346 1.00 0.00 H new ATOM 549 N LYS A 38 -1.508 -4.218 -7.596 1.00 0.00 N ATOM 550 CA LYS A 38 -1.444 -5.618 -7.192 1.00 0.00 C ATOM 551 C LYS A 38 -0.814 -5.758 -5.810 1.00 0.00 C ATOM 552 O LYS A 38 -1.305 -6.507 -4.966 1.00 0.00 O ATOM 553 CB LYS A 38 -0.643 -6.428 -8.214 1.00 0.00 C ATOM 554 CG LYS A 38 -1.505 -7.097 -9.271 1.00 0.00 C ATOM 555 CD LYS A 38 -0.661 -7.687 -10.388 1.00 0.00 C ATOM 556 CE LYS A 38 -0.003 -8.990 -9.961 1.00 0.00 C ATOM 557 NZ LYS A 38 -1.000 -10.081 -9.779 1.00 0.00 N ATOM 0 H LYS A 38 -0.603 -3.748 -7.632 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.462 -6.005 -7.148 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.074 -5.770 -8.705 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.068 -7.191 -7.690 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.102 -7.884 -8.810 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.203 -6.370 -9.686 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.286 -7.864 -11.263 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.106 -6.971 -10.683 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.730 -9.289 -10.710 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.539 -8.834 -9.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.514 -11.001 -9.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.487 -9.958 -8.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.696 -10.047 -10.551 1.00 0.00 H new ATOM 571 N CYS A 39 0.275 -5.031 -5.586 1.00 0.00 N ATOM 572 CA CYS A 39 0.973 -5.072 -4.306 1.00 0.00 C ATOM 573 C CYS A 39 0.885 -3.725 -3.595 1.00 0.00 C ATOM 574 O CYS A 39 1.377 -3.567 -2.477 1.00 0.00 O ATOM 575 CB CYS A 39 2.439 -5.458 -4.513 1.00 0.00 C ATOM 576 SG CYS A 39 3.354 -4.337 -5.619 1.00 0.00 S ATOM 0 H CYS A 39 0.694 -4.406 -6.275 1.00 0.00 H new ATOM 0 HA CYS A 39 0.491 -5.824 -3.681 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.938 -5.482 -3.544 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.484 -6.468 -4.919 1.00 0.00 H new ATOM 0 HG CYS A 39 2.792 -4.330 -6.791 1.00 0.00 H new ATOM 581 N LEU A 40 0.255 -2.756 -4.250 1.00 0.00 N ATOM 582 CA LEU A 40 0.102 -1.421 -3.682 1.00 0.00 C ATOM 583 C LEU A 40 1.459 -0.820 -3.330 1.00 0.00 C ATOM 584 O LEU A 40 1.683 -0.385 -2.200 1.00 0.00 O ATOM 585 CB LEU A 40 -0.783 -1.475 -2.435 1.00 0.00 C ATOM 586 CG LEU A 40 -2.290 -1.549 -2.685 1.00 0.00 C ATOM 587 CD1 LEU A 40 -2.728 -0.449 -3.640 1.00 0.00 C ATOM 588 CD2 LEU A 40 -2.673 -2.917 -3.232 1.00 0.00 C ATOM 0 H LEU A 40 -0.158 -2.870 -5.175 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.373 -0.787 -4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.490 -2.342 -1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.578 -0.592 -1.830 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.804 -1.402 -1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.803 -0.518 -3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.489 0.523 -3.209 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.206 -0.563 -4.590 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.749 -2.952 -3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.149 -3.093 -4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.395 -3.687 -2.512 1.00 0.00 H new ATOM 600 N HIS A 41 2.361 -0.797 -4.306 1.00 0.00 N ATOM 601 CA HIS A 41 3.696 -0.246 -4.100 1.00 0.00 C ATOM 602 C HIS A 41 3.965 0.903 -5.067 1.00 0.00 C ATOM 603 O HIS A 41 3.672 0.823 -6.261 1.00 0.00 O ATOM 604 CB HIS A 41 4.754 -1.336 -4.278 1.00 0.00 C ATOM 605 CG HIS A 41 6.151 -0.863 -4.018 1.00 0.00 C ATOM 606 ND1 HIS A 41 6.744 -0.916 -2.775 1.00 0.00 N ATOM 607 CD2 HIS A 41 7.073 -0.328 -4.852 1.00 0.00 C ATOM 608 CE1 HIS A 41 7.971 -0.432 -2.854 1.00 0.00 C ATOM 609 NE2 HIS A 41 8.196 -0.069 -4.104 1.00 0.00 N ATOM 0 H HIS A 41 2.192 -1.153 -5.247 1.00 0.00 H new ATOM 0 HA HIS A 41 3.750 0.139 -3.082 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.528 -2.163 -3.605 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.694 -1.726 -5.294 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.949 -0.140 -5.908 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.671 -0.348 -2.036 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.063 0.337 -4.457 1.00 0.00 H new ATOM 618 N PRO A 42 4.535 1.998 -4.543 1.00 0.00 N ATOM 619 CA PRO A 42 4.855 3.184 -5.343 1.00 0.00 C ATOM 620 C PRO A 42 6.001 2.934 -6.316 1.00 0.00 C ATOM 621 O PRO A 42 7.101 2.554 -5.912 1.00 0.00 O ATOM 622 CB PRO A 42 5.262 4.220 -4.292 1.00 0.00 C ATOM 623 CG PRO A 42 5.739 3.417 -3.132 1.00 0.00 C ATOM 624 CD PRO A 42 4.911 2.162 -3.129 1.00 0.00 C ATOM 0 HA PRO A 42 4.016 3.495 -5.966 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.046 4.877 -4.667 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.420 4.854 -4.015 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.800 3.185 -3.228 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.616 3.968 -2.199 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.479 1.307 -2.762 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.034 2.261 -2.489 1.00 0.00 H new ATOM 632 N LEU A 43 5.738 3.149 -7.600 1.00 0.00 N ATOM 633 CA LEU A 43 6.749 2.948 -8.633 1.00 0.00 C ATOM 634 C LEU A 43 7.409 4.270 -9.014 1.00 0.00 C ATOM 635 O LEU A 43 8.007 4.390 -10.083 1.00 0.00 O ATOM 636 CB LEU A 43 6.121 2.303 -9.870 1.00 0.00 C ATOM 637 CG LEU A 43 5.665 0.852 -9.711 1.00 0.00 C ATOM 638 CD1 LEU A 43 6.615 0.090 -8.799 1.00 0.00 C ATOM 639 CD2 LEU A 43 4.244 0.796 -9.171 1.00 0.00 C ATOM 0 H LEU A 43 4.833 3.463 -7.951 1.00 0.00 H new ATOM 0 HA LEU A 43 7.515 2.283 -8.233 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.262 2.902 -10.171 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.843 2.349 -10.685 1.00 0.00 H new ATOM 0 HG LEU A 43 5.678 0.378 -10.692 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.274 -0.940 -8.698 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.617 0.100 -9.227 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.635 0.563 -7.817 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.936 -0.244 -9.064 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.204 1.288 -8.199 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.572 1.304 -9.862 1.00 0.00 H new ATOM 651 N ALA A 44 7.296 5.257 -8.132 1.00 0.00 N ATOM 652 CA ALA A 44 7.885 6.568 -8.374 1.00 0.00 C ATOM 653 C ALA A 44 9.369 6.451 -8.704 1.00 0.00 C ATOM 654 O ALA A 44 9.881 7.164 -9.566 1.00 0.00 O ATOM 655 CB ALA A 44 7.680 7.470 -7.166 1.00 0.00 C ATOM 0 H ALA A 44 6.802 5.174 -7.243 1.00 0.00 H new ATOM 0 HA ALA A 44 7.383 7.011 -9.234 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.125 8.446 -7.361 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.613 7.589 -6.978 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.155 7.022 -6.293 1.00 0.00 H new ATOM 661 N ASN A 45 10.055 5.548 -8.011 1.00 0.00 N ATOM 662 CA ASN A 45 11.482 5.338 -8.230 1.00 0.00 C ATOM 663 C ASN A 45 11.750 3.935 -8.765 1.00 0.00 C ATOM 664 O ASN A 45 12.888 3.585 -9.074 1.00 0.00 O ATOM 665 CB ASN A 45 12.256 5.556 -6.928 1.00 0.00 C ATOM 666 CG ASN A 45 11.750 6.755 -6.149 1.00 0.00 C ATOM 667 OD1 ASN A 45 11.019 6.608 -5.169 1.00 0.00 O ATOM 668 ND2 ASN A 45 12.138 7.949 -6.582 1.00 0.00 N ATOM 0 H ASN A 45 9.646 4.950 -7.293 1.00 0.00 H new ATOM 0 HA ASN A 45 11.821 6.061 -8.972 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.177 4.663 -6.308 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.313 5.694 -7.155 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.830 8.792 -6.098 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.744 8.023 -7.399 1.00 0.00 H new ATOM 675 N GLU A 46 10.692 3.136 -8.873 1.00 0.00 N ATOM 676 CA GLU A 46 10.815 1.771 -9.371 1.00 0.00 C ATOM 677 C GLU A 46 10.061 1.603 -10.687 1.00 0.00 C ATOM 678 O GLU A 46 9.052 2.267 -10.928 1.00 0.00 O ATOM 679 CB GLU A 46 10.283 0.778 -8.335 1.00 0.00 C ATOM 680 CG GLU A 46 9.913 -0.574 -8.923 1.00 0.00 C ATOM 681 CD GLU A 46 11.128 -1.422 -9.245 1.00 0.00 C ATOM 682 OE1 GLU A 46 12.221 -0.847 -9.426 1.00 0.00 O ATOM 683 OE2 GLU A 46 10.985 -2.661 -9.316 1.00 0.00 O ATOM 0 H GLU A 46 9.742 3.410 -8.623 1.00 0.00 H new ATOM 0 HA GLU A 46 11.871 1.569 -9.549 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.037 0.634 -7.561 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.406 1.206 -7.850 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.276 -1.110 -8.219 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.329 -0.424 -9.831 1.00 0.00 H new ATOM 690 N THR A 47 10.558 0.709 -11.536 1.00 0.00 N ATOM 691 CA THR A 47 9.934 0.454 -12.828 1.00 0.00 C ATOM 692 C THR A 47 8.423 0.304 -12.690 1.00 0.00 C ATOM 693 O THR A 47 7.917 -0.021 -11.615 1.00 0.00 O ATOM 694 CB THR A 47 10.505 -0.816 -13.487 1.00 0.00 C ATOM 695 OG1 THR A 47 10.529 -1.891 -12.541 1.00 0.00 O ATOM 696 CG2 THR A 47 11.910 -0.567 -14.014 1.00 0.00 C ATOM 0 H THR A 47 11.391 0.150 -11.352 1.00 0.00 H new ATOM 0 HA THR A 47 10.155 1.314 -13.460 1.00 0.00 H new ATOM 0 HB THR A 47 9.861 -1.084 -14.325 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.892 -2.695 -12.968 1.00 0.00 H new ATOM 0 HG21 THR A 47 12.292 -1.478 -14.475 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.884 0.232 -14.755 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.561 -0.276 -13.190 1.00 0.00 H new ATOM 704 N PHE A 48 7.707 0.543 -13.783 1.00 0.00 N ATOM 705 CA PHE A 48 6.252 0.435 -13.783 1.00 0.00 C ATOM 706 C PHE A 48 5.740 -0.009 -15.150 1.00 0.00 C ATOM 707 O PHE A 48 6.326 0.319 -16.182 1.00 0.00 O ATOM 708 CB PHE A 48 5.620 1.775 -13.399 1.00 0.00 C ATOM 709 CG PHE A 48 5.726 2.817 -14.475 1.00 0.00 C ATOM 710 CD1 PHE A 48 4.880 2.787 -15.572 1.00 0.00 C ATOM 711 CD2 PHE A 48 6.670 3.828 -14.389 1.00 0.00 C ATOM 712 CE1 PHE A 48 4.976 3.745 -16.564 1.00 0.00 C ATOM 713 CE2 PHE A 48 6.770 4.789 -15.378 1.00 0.00 C ATOM 714 CZ PHE A 48 5.921 4.748 -16.466 1.00 0.00 C ATOM 0 H PHE A 48 8.110 0.813 -14.680 1.00 0.00 H new ATOM 0 HA PHE A 48 5.968 -0.317 -13.047 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.568 1.617 -13.160 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.100 2.148 -12.494 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.138 2.007 -15.653 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.336 3.866 -13.539 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.312 3.709 -17.415 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.511 5.571 -15.300 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.995 5.499 -17.239 1.00 0.00 H new ATOM 724 N VAL A 49 4.641 -0.757 -15.149 1.00 0.00 N ATOM 725 CA VAL A 49 4.048 -1.247 -16.387 1.00 0.00 C ATOM 726 C VAL A 49 2.550 -0.968 -16.427 1.00 0.00 C ATOM 727 O VAL A 49 1.889 -0.926 -15.390 1.00 0.00 O ATOM 728 CB VAL A 49 4.283 -2.759 -16.563 1.00 0.00 C ATOM 729 CG1 VAL A 49 3.766 -3.226 -17.915 1.00 0.00 C ATOM 730 CG2 VAL A 49 5.760 -3.090 -16.405 1.00 0.00 C ATOM 0 H VAL A 49 4.143 -1.037 -14.304 1.00 0.00 H new ATOM 0 HA VAL A 49 4.536 -0.714 -17.203 1.00 0.00 H new ATOM 0 HB VAL A 49 3.730 -3.288 -15.787 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.941 -4.297 -18.021 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.697 -3.024 -17.985 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.289 -2.692 -18.709 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.908 -4.162 -16.532 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.336 -2.552 -17.158 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.095 -2.793 -15.411 1.00 0.00 H new ATOM 740 N ALA A 50 2.020 -0.780 -17.631 1.00 0.00 N ATOM 741 CA ALA A 50 0.599 -0.508 -17.806 1.00 0.00 C ATOM 742 C ALA A 50 -0.060 -1.571 -18.679 1.00 0.00 C ATOM 743 O ALA A 50 0.322 -1.766 -19.833 1.00 0.00 O ATOM 744 CB ALA A 50 0.397 0.873 -18.411 1.00 0.00 C ATOM 0 H ALA A 50 2.554 -0.811 -18.500 1.00 0.00 H new ATOM 0 HA ALA A 50 0.125 -0.536 -16.825 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.669 1.063 -18.536 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.825 1.626 -17.749 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.891 0.921 -19.382 1.00 0.00 H new ATOM 750 N LYS A 51 -1.050 -2.258 -18.119 1.00 0.00 N ATOM 751 CA LYS A 51 -1.764 -3.302 -18.846 1.00 0.00 C ATOM 752 C LYS A 51 -3.267 -3.197 -18.612 1.00 0.00 C ATOM 753 O LYS A 51 -3.715 -2.961 -17.490 1.00 0.00 O ATOM 754 CB LYS A 51 -1.265 -4.683 -18.415 1.00 0.00 C ATOM 755 CG LYS A 51 -0.098 -5.193 -19.243 1.00 0.00 C ATOM 756 CD LYS A 51 1.228 -4.975 -18.533 1.00 0.00 C ATOM 757 CE LYS A 51 1.637 -6.199 -17.728 1.00 0.00 C ATOM 758 NZ LYS A 51 0.923 -6.269 -16.423 1.00 0.00 N ATOM 0 H LYS A 51 -1.376 -2.111 -17.164 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.570 -3.168 -19.910 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.966 -4.642 -17.368 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.087 -5.395 -18.484 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.232 -6.255 -19.447 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.084 -4.683 -20.206 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.001 -4.745 -19.266 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.150 -4.112 -17.871 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.428 -7.100 -18.305 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.713 -6.175 -17.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.325 -7.037 -15.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.032 -5.366 -15.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.087 -6.453 -16.589 1.00 0.00 H new ATOM 772 N ASP A 52 -4.041 -3.376 -19.677 1.00 0.00 N ATOM 773 CA ASP A 52 -5.495 -3.305 -19.587 1.00 0.00 C ATOM 774 C ASP A 52 -5.931 -2.046 -18.843 1.00 0.00 C ATOM 775 O ASP A 52 -6.891 -2.070 -18.073 1.00 0.00 O ATOM 776 CB ASP A 52 -6.045 -4.546 -18.882 1.00 0.00 C ATOM 777 CG ASP A 52 -6.143 -5.742 -19.809 1.00 0.00 C ATOM 778 OD1 ASP A 52 -5.313 -5.842 -20.737 1.00 0.00 O ATOM 779 OD2 ASP A 52 -7.049 -6.577 -19.606 1.00 0.00 O ATOM 0 H ASP A 52 -3.686 -3.571 -20.613 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.897 -3.265 -20.600 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.402 -4.796 -18.038 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.032 -4.323 -18.476 1.00 0.00 H new ATOM 784 N ASN A 53 -5.219 -0.949 -19.077 1.00 0.00 N ATOM 785 CA ASN A 53 -5.533 0.319 -18.428 1.00 0.00 C ATOM 786 C ASN A 53 -5.359 0.213 -16.916 1.00 0.00 C ATOM 787 O ASN A 53 -6.099 0.831 -16.150 1.00 0.00 O ATOM 788 CB ASN A 53 -6.964 0.745 -18.759 1.00 0.00 C ATOM 789 CG ASN A 53 -7.194 0.887 -20.252 1.00 0.00 C ATOM 790 OD1 ASN A 53 -7.084 -0.082 -21.003 1.00 0.00 O ATOM 791 ND2 ASN A 53 -7.514 2.100 -20.688 1.00 0.00 N ATOM 0 H ASN A 53 -4.421 -0.912 -19.711 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.841 1.072 -18.804 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.661 0.011 -18.355 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.180 1.694 -18.269 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.680 2.257 -21.682 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.594 2.874 -20.029 1.00 0.00 H new ATOM 798 N LYS A 54 -4.376 -0.574 -16.492 1.00 0.00 N ATOM 799 CA LYS A 54 -4.102 -0.760 -15.072 1.00 0.00 C ATOM 800 C LYS A 54 -2.606 -0.666 -14.790 1.00 0.00 C ATOM 801 O LYS A 54 -1.793 -1.266 -15.494 1.00 0.00 O ATOM 802 CB LYS A 54 -4.636 -2.116 -14.603 1.00 0.00 C ATOM 803 CG LYS A 54 -6.144 -2.146 -14.425 1.00 0.00 C ATOM 804 CD LYS A 54 -6.609 -3.466 -13.832 1.00 0.00 C ATOM 805 CE LYS A 54 -8.025 -3.364 -13.286 1.00 0.00 C ATOM 806 NZ LYS A 54 -9.043 -3.401 -14.372 1.00 0.00 N ATOM 0 H LYS A 54 -3.755 -1.094 -17.112 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.608 0.034 -14.522 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.348 -2.880 -15.325 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.161 -2.377 -13.657 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.451 -1.326 -13.776 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.628 -1.988 -15.389 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.567 -4.243 -14.595 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.931 -3.766 -13.033 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.206 -4.184 -12.591 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.130 -2.438 -12.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.412 -2.442 -14.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.606 -3.757 -15.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.823 -4.030 -14.095 1.00 0.00 H new ATOM 820 N ILE A 55 -2.250 0.089 -13.756 1.00 0.00 N ATOM 821 CA ILE A 55 -0.852 0.258 -13.380 1.00 0.00 C ATOM 822 C ILE A 55 -0.365 -0.913 -12.534 1.00 0.00 C ATOM 823 O ILE A 55 -1.048 -1.352 -11.608 1.00 0.00 O ATOM 824 CB ILE A 55 -0.635 1.567 -12.598 1.00 0.00 C ATOM 825 CG1 ILE A 55 -1.179 2.757 -13.390 1.00 0.00 C ATOM 826 CG2 ILE A 55 0.843 1.760 -12.289 1.00 0.00 C ATOM 827 CD1 ILE A 55 -0.415 3.034 -14.666 1.00 0.00 C ATOM 0 H ILE A 55 -2.910 0.593 -13.164 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.278 0.297 -14.306 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.179 1.504 -11.655 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.225 2.572 -13.635 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.152 3.646 -12.760 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.981 2.689 -11.736 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.201 0.924 -11.689 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.407 1.805 -13.221 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.856 3.891 -15.176 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.626 3.251 -14.427 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.464 2.161 -15.316 1.00 0.00 H new ATOM 839 N LEU A 56 0.822 -1.415 -12.857 1.00 0.00 N ATOM 840 CA LEU A 56 1.404 -2.535 -12.126 1.00 0.00 C ATOM 841 C LEU A 56 2.925 -2.433 -12.093 1.00 0.00 C ATOM 842 O LEU A 56 3.515 -1.569 -12.743 1.00 0.00 O ATOM 843 CB LEU A 56 0.984 -3.860 -12.765 1.00 0.00 C ATOM 844 CG LEU A 56 -0.497 -4.221 -12.650 1.00 0.00 C ATOM 845 CD1 LEU A 56 -0.814 -5.450 -13.488 1.00 0.00 C ATOM 846 CD2 LEU A 56 -0.878 -4.454 -11.195 1.00 0.00 C ATOM 0 H LEU A 56 1.400 -1.064 -13.620 1.00 0.00 H new ATOM 0 HA LEU A 56 1.034 -2.499 -11.101 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.249 -3.831 -13.822 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.569 -4.660 -12.312 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.085 -3.385 -13.030 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.873 -5.692 -13.393 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.580 -5.248 -14.533 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.217 -6.292 -13.139 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.936 -4.710 -11.132 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.282 -5.272 -10.789 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.689 -3.548 -10.620 1.00 0.00 H new ATOM 858 N CYS A 57 3.557 -3.322 -11.333 1.00 0.00 N ATOM 859 CA CYS A 57 5.010 -3.334 -11.217 1.00 0.00 C ATOM 860 C CYS A 57 5.601 -4.558 -11.909 1.00 0.00 C ATOM 861 O CYS A 57 4.882 -5.490 -12.266 1.00 0.00 O ATOM 862 CB CYS A 57 5.424 -3.318 -9.744 1.00 0.00 C ATOM 863 SG CYS A 57 5.456 -4.963 -8.963 1.00 0.00 S ATOM 0 H CYS A 57 3.085 -4.044 -10.788 1.00 0.00 H new ATOM 0 HA CYS A 57 5.396 -2.440 -11.707 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.414 -2.869 -9.661 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.736 -2.678 -9.191 1.00 0.00 H new ATOM 0 HG CYS A 57 4.820 -4.918 -7.830 1.00 0.00 H new ATOM 868 N ASN A 58 6.917 -4.547 -12.097 1.00 0.00 N ATOM 869 CA ASN A 58 7.606 -5.656 -12.747 1.00 0.00 C ATOM 870 C ASN A 58 7.501 -6.927 -11.911 1.00 0.00 C ATOM 871 O ASN A 58 7.223 -8.007 -12.433 1.00 0.00 O ATOM 872 CB ASN A 58 9.077 -5.304 -12.979 1.00 0.00 C ATOM 873 CG ASN A 58 9.655 -6.006 -14.193 1.00 0.00 C ATOM 874 OD1 ASN A 58 9.335 -7.163 -14.466 1.00 0.00 O ATOM 875 ND2 ASN A 58 10.511 -5.306 -14.928 1.00 0.00 N ATOM 0 H ASN A 58 7.527 -3.782 -11.808 1.00 0.00 H new ATOM 0 HA ASN A 58 7.126 -5.835 -13.709 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.174 -4.226 -13.106 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.656 -5.575 -12.096 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.933 -5.725 -15.757 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.747 -4.350 -14.664 1.00 0.00 H new ATOM 882 N LYS A 59 7.724 -6.792 -10.608 1.00 0.00 N ATOM 883 CA LYS A 59 7.653 -7.928 -9.697 1.00 0.00 C ATOM 884 C LYS A 59 6.306 -8.633 -9.811 1.00 0.00 C ATOM 885 O LYS A 59 6.185 -9.818 -9.497 1.00 0.00 O ATOM 886 CB LYS A 59 7.879 -7.467 -8.255 1.00 0.00 C ATOM 887 CG LYS A 59 9.343 -7.422 -7.853 1.00 0.00 C ATOM 888 CD LYS A 59 9.804 -8.749 -7.275 1.00 0.00 C ATOM 889 CE LYS A 59 10.352 -9.667 -8.357 1.00 0.00 C ATOM 890 NZ LYS A 59 11.369 -10.613 -7.818 1.00 0.00 N ATOM 0 H LYS A 59 7.956 -5.906 -10.159 1.00 0.00 H new ATOM 0 HA LYS A 59 8.437 -8.633 -9.974 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.445 -6.475 -8.127 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.346 -8.137 -7.580 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.952 -7.171 -8.722 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.495 -6.632 -7.118 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.573 -8.572 -6.523 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.970 -9.237 -6.770 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.533 -10.230 -8.805 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.798 -9.067 -9.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.718 -11.221 -8.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.162 -10.076 -7.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.937 -11.203 -7.078 1.00 0.00 H new ATOM 904 N CYS A 60 5.295 -7.899 -10.263 1.00 0.00 N ATOM 905 CA CYS A 60 3.956 -8.454 -10.420 1.00 0.00 C ATOM 906 C CYS A 60 3.727 -8.926 -11.853 1.00 0.00 C ATOM 907 O CYS A 60 3.263 -10.043 -12.084 1.00 0.00 O ATOM 908 CB CYS A 60 2.902 -7.412 -10.041 1.00 0.00 C ATOM 909 SG CYS A 60 2.616 -7.262 -8.248 1.00 0.00 S ATOM 0 H CYS A 60 5.378 -6.917 -10.527 1.00 0.00 H new ATOM 0 HA CYS A 60 3.865 -9.312 -9.754 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.209 -6.442 -10.432 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.961 -7.669 -10.528 1.00 0.00 H new ATOM 0 HG CYS A 60 2.251 -6.046 -7.967 1.00 0.00 H new ATOM 914 N THR A 61 4.057 -8.068 -12.813 1.00 0.00 N ATOM 915 CA THR A 61 3.888 -8.396 -14.223 1.00 0.00 C ATOM 916 C THR A 61 4.406 -9.797 -14.528 1.00 0.00 C ATOM 917 O THR A 61 3.757 -10.572 -15.230 1.00 0.00 O ATOM 918 CB THR A 61 4.616 -7.384 -15.127 1.00 0.00 C ATOM 919 OG1 THR A 61 6.033 -7.524 -14.977 1.00 0.00 O ATOM 920 CG2 THR A 61 4.204 -5.960 -14.786 1.00 0.00 C ATOM 0 H THR A 61 4.443 -7.140 -12.639 1.00 0.00 H new ATOM 0 HA THR A 61 2.819 -8.354 -14.431 1.00 0.00 H new ATOM 0 HB THR A 61 4.338 -7.589 -16.161 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.243 -7.746 -14.046 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.731 -5.263 -15.437 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.129 -5.848 -14.929 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.456 -5.747 -13.747 1.00 0.00 H new ATOM 1004 N PRO A 67 -6.460 -15.550 -14.442 1.00 0.00 N ATOM 1005 CA PRO A 67 -7.236 -16.263 -15.460 1.00 0.00 C ATOM 1006 C PRO A 67 -7.478 -15.416 -16.704 1.00 0.00 C ATOM 1007 O PRO A 67 -7.149 -14.230 -16.734 1.00 0.00 O ATOM 1008 CB PRO A 67 -8.560 -16.563 -14.751 1.00 0.00 C ATOM 1009 CG PRO A 67 -8.676 -15.509 -13.704 1.00 0.00 C ATOM 1010 CD PRO A 67 -7.270 -15.210 -13.260 1.00 0.00 C ATOM 0 HA PRO A 67 -6.717 -17.152 -15.819 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.399 -16.525 -15.446 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.556 -17.560 -14.310 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.158 -14.616 -14.101 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.284 -15.855 -12.868 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -7.151 -14.164 -12.979 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.987 -15.807 -12.393 1.00 0.00 H new ATOM 1018 N LYS A 68 -8.056 -16.032 -17.730 1.00 0.00 N ATOM 1019 CA LYS A 68 -8.345 -15.334 -18.978 1.00 0.00 C ATOM 1020 C LYS A 68 -9.837 -15.375 -19.291 1.00 0.00 C ATOM 1021 O LYS A 68 -10.548 -16.282 -18.858 1.00 0.00 O ATOM 1022 CB LYS A 68 -7.553 -15.958 -20.129 1.00 0.00 C ATOM 1023 CG LYS A 68 -6.064 -16.074 -19.852 1.00 0.00 C ATOM 1024 CD LYS A 68 -5.310 -14.846 -20.334 1.00 0.00 C ATOM 1025 CE LYS A 68 -4.823 -15.018 -21.765 1.00 0.00 C ATOM 1026 NZ LYS A 68 -5.955 -15.103 -22.729 1.00 0.00 N ATOM 0 H LYS A 68 -8.334 -17.013 -17.722 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.045 -14.292 -18.862 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.953 -16.950 -20.338 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.701 -15.359 -21.027 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.901 -16.205 -18.782 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.669 -16.962 -20.346 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.958 -13.972 -20.272 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.459 -14.659 -19.679 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.180 -14.180 -22.033 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.216 -15.921 -21.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.590 -15.032 -23.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.446 -16.012 -22.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.621 -14.324 -22.552 1.00 0.00 H new ATOM 1040 N CYS A 69 -10.305 -14.388 -20.048 1.00 0.00 N ATOM 1041 CA CYS A 69 -11.712 -14.311 -20.421 1.00 0.00 C ATOM 1042 C CYS A 69 -11.939 -14.899 -21.811 1.00 0.00 C ATOM 1043 O CYS A 69 -10.993 -15.116 -22.568 1.00 0.00 O ATOM 1044 CB CYS A 69 -12.192 -12.859 -20.386 1.00 0.00 C ATOM 1045 SG CYS A 69 -13.995 -12.667 -20.564 1.00 0.00 S ATOM 0 H CYS A 69 -9.730 -13.630 -20.415 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.285 -14.894 -19.700 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -11.881 -12.407 -19.444 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -11.698 -12.305 -21.184 1.00 0.00 H new ATOM 0 HG CYS A 69 -14.378 -11.583 -19.957 1.00 0.00 H new ATOM 1050 N LYS A 70 -13.201 -15.155 -22.140 1.00 0.00 N ATOM 1051 CA LYS A 70 -13.554 -15.716 -23.438 1.00 0.00 C ATOM 1052 C LYS A 70 -14.367 -14.720 -24.259 1.00 0.00 C ATOM 1053 O LYS A 70 -14.414 -14.803 -25.486 1.00 0.00 O ATOM 1054 CB LYS A 70 -14.349 -17.012 -23.257 1.00 0.00 C ATOM 1055 CG LYS A 70 -14.223 -17.971 -24.428 1.00 0.00 C ATOM 1056 CD LYS A 70 -14.802 -17.377 -25.701 1.00 0.00 C ATOM 1057 CE LYS A 70 -15.393 -18.452 -26.600 1.00 0.00 C ATOM 1058 NZ LYS A 70 -14.349 -19.119 -27.426 1.00 0.00 N ATOM 0 H LYS A 70 -13.996 -14.983 -21.525 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.631 -15.934 -23.975 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -14.010 -17.513 -22.350 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.401 -16.766 -23.111 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.173 -18.218 -24.586 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -14.738 -18.903 -24.193 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -15.573 -16.650 -25.446 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.022 -16.839 -26.240 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.903 -19.197 -25.989 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -16.144 -18.007 -27.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.792 -19.845 -28.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.879 -18.413 -28.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.646 -19.566 -26.803 1.00 0.00 H new ATOM 1072 N GLY A 71 -15.005 -13.776 -23.573 1.00 0.00 N ATOM 1073 CA GLY A 71 -15.806 -12.777 -24.255 1.00 0.00 C ATOM 1074 C GLY A 71 -14.958 -11.745 -24.972 1.00 0.00 C ATOM 1075 O GLY A 71 -15.284 -11.324 -26.082 1.00 0.00 O ATOM 0 H GLY A 71 -14.981 -13.686 -22.557 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -16.460 -13.269 -24.975 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -16.449 -12.275 -23.532 1.00 0.00 H new ATOM 1079 N CYS A 72 -13.867 -11.333 -24.335 1.00 0.00 N ATOM 1080 CA CYS A 72 -12.970 -10.342 -24.917 1.00 0.00 C ATOM 1081 C CYS A 72 -11.542 -10.876 -24.988 1.00 0.00 C ATOM 1082 O CYS A 72 -10.688 -10.308 -25.670 1.00 0.00 O ATOM 1083 CB CYS A 72 -13.002 -9.051 -24.097 1.00 0.00 C ATOM 1084 SG CYS A 72 -12.738 -9.296 -22.311 1.00 0.00 S ATOM 0 H CYS A 72 -13.583 -11.670 -23.415 1.00 0.00 H new ATOM 0 HA CYS A 72 -13.311 -10.130 -25.930 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -12.237 -8.373 -24.477 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -13.964 -8.562 -24.247 1.00 0.00 H new ATOM 0 HG CYS A 72 -13.259 -10.430 -21.947 1.00 0.00 H new ATOM 1089 N PHE A 73 -11.290 -11.972 -24.280 1.00 0.00 N ATOM 1090 CA PHE A 73 -9.966 -12.583 -24.262 1.00 0.00 C ATOM 1091 C PHE A 73 -8.940 -11.639 -23.641 1.00 0.00 C ATOM 1092 O PHE A 73 -7.914 -11.332 -24.248 1.00 0.00 O ATOM 1093 CB PHE A 73 -9.535 -12.960 -25.681 1.00 0.00 C ATOM 1094 CG PHE A 73 -9.908 -14.362 -26.068 1.00 0.00 C ATOM 1095 CD1 PHE A 73 -9.541 -15.436 -25.272 1.00 0.00 C ATOM 1096 CD2 PHE A 73 -10.626 -14.607 -27.227 1.00 0.00 C ATOM 1097 CE1 PHE A 73 -9.883 -16.727 -25.625 1.00 0.00 C ATOM 1098 CE2 PHE A 73 -10.971 -15.897 -27.585 1.00 0.00 C ATOM 1099 CZ PHE A 73 -10.598 -16.958 -26.784 1.00 0.00 C ATOM 0 H PHE A 73 -11.985 -12.455 -23.711 1.00 0.00 H new ATOM 0 HA PHE A 73 -10.018 -13.486 -23.654 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.988 -12.264 -26.387 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -8.455 -12.843 -25.767 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.981 -15.261 -24.365 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.920 -13.781 -27.858 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -9.592 -17.555 -24.995 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.532 -16.075 -28.491 1.00 0.00 H new ATOM 0 HZ PHE A 73 -10.865 -17.967 -27.063 1.00 0.00 H new ATOM 1109 N LYS A 74 -9.225 -11.182 -22.426 1.00 0.00 N ATOM 1110 CA LYS A 74 -8.329 -10.274 -21.720 1.00 0.00 C ATOM 1111 C LYS A 74 -8.080 -10.754 -20.294 1.00 0.00 C ATOM 1112 O LYS A 74 -8.922 -11.427 -19.700 1.00 0.00 O ATOM 1113 CB LYS A 74 -8.915 -8.860 -21.698 1.00 0.00 C ATOM 1114 CG LYS A 74 -8.762 -8.118 -23.014 1.00 0.00 C ATOM 1115 CD LYS A 74 -7.338 -7.629 -23.217 1.00 0.00 C ATOM 1116 CE LYS A 74 -7.006 -7.475 -24.693 1.00 0.00 C ATOM 1117 NZ LYS A 74 -5.711 -6.770 -24.900 1.00 0.00 N ATOM 0 H LYS A 74 -10.070 -11.426 -21.910 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.377 -10.258 -22.251 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.973 -8.918 -21.444 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.429 -8.287 -20.909 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.043 -8.775 -23.838 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.446 -7.269 -23.036 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.205 -6.672 -22.712 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.642 -8.331 -22.758 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.962 -8.459 -25.160 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.804 -6.922 -25.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.521 -6.685 -25.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.761 -5.821 -24.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.946 -7.311 -24.449 1.00 0.00 H new ATOM 1131 N ALA A 75 -6.919 -10.404 -19.751 1.00 0.00 N ATOM 1132 CA ALA A 75 -6.561 -10.797 -18.394 1.00 0.00 C ATOM 1133 C ALA A 75 -7.588 -10.290 -17.387 1.00 0.00 C ATOM 1134 O ALA A 75 -7.761 -9.082 -17.218 1.00 0.00 O ATOM 1135 CB ALA A 75 -5.174 -10.279 -18.043 1.00 0.00 C ATOM 0 H ALA A 75 -6.210 -9.849 -20.230 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.552 -11.886 -18.348 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.920 -10.580 -17.027 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.444 -10.694 -18.738 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.163 -9.191 -18.113 1.00 0.00 H new ATOM 1141 N ILE A 76 -8.265 -11.218 -16.721 1.00 0.00 N ATOM 1142 CA ILE A 76 -9.275 -10.864 -15.731 1.00 0.00 C ATOM 1143 C ILE A 76 -8.634 -10.535 -14.387 1.00 0.00 C ATOM 1144 O ILE A 76 -7.703 -11.210 -13.948 1.00 0.00 O ATOM 1145 CB ILE A 76 -10.295 -12.001 -15.535 1.00 0.00 C ATOM 1146 CG1 ILE A 76 -10.807 -12.495 -16.890 1.00 0.00 C ATOM 1147 CG2 ILE A 76 -11.451 -11.532 -14.665 1.00 0.00 C ATOM 1148 CD1 ILE A 76 -11.584 -13.791 -16.807 1.00 0.00 C ATOM 0 H ILE A 76 -8.133 -12.221 -16.849 1.00 0.00 H new ATOM 0 HA ILE A 76 -9.794 -9.983 -16.110 1.00 0.00 H new ATOM 0 HB ILE A 76 -9.800 -12.830 -15.030 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -11.443 -11.727 -17.331 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.959 -12.631 -17.562 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -12.163 -12.347 -14.536 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -11.072 -11.224 -13.691 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.948 -10.688 -15.144 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.916 -14.081 -17.804 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.945 -14.573 -16.396 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -12.452 -13.654 -16.161 1.00 0.00 H new ATOM 1160 N VAL A 77 -9.140 -9.492 -13.736 1.00 0.00 N ATOM 1161 CA VAL A 77 -8.620 -9.074 -12.440 1.00 0.00 C ATOM 1162 C VAL A 77 -9.498 -9.586 -11.304 1.00 0.00 C ATOM 1163 O VAL A 77 -10.721 -9.642 -11.427 1.00 0.00 O ATOM 1164 CB VAL A 77 -8.519 -7.540 -12.344 1.00 0.00 C ATOM 1165 CG1 VAL A 77 -7.854 -7.129 -11.039 1.00 0.00 C ATOM 1166 CG2 VAL A 77 -7.761 -6.981 -13.538 1.00 0.00 C ATOM 0 H VAL A 77 -9.910 -8.921 -14.085 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.623 -9.503 -12.346 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.527 -7.125 -12.356 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.791 -6.042 -10.989 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.443 -7.498 -10.199 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.851 -7.553 -10.993 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.699 -5.896 -13.454 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.756 -7.401 -13.560 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.284 -7.244 -14.457 1.00 0.00 H new ATOM 1176 N ALA A 78 -8.865 -9.960 -10.196 1.00 0.00 N ATOM 1177 CA ALA A 78 -9.589 -10.465 -9.036 1.00 0.00 C ATOM 1178 C ALA A 78 -10.704 -9.510 -8.626 1.00 0.00 C ATOM 1179 O ALA A 78 -11.882 -9.776 -8.863 1.00 0.00 O ATOM 1180 CB ALA A 78 -8.632 -10.693 -7.875 1.00 0.00 C ATOM 0 H ALA A 78 -7.853 -9.923 -10.078 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.045 -11.417 -9.309 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.186 -11.070 -7.015 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.874 -11.420 -8.166 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.149 -9.752 -7.611 1.00 0.00 H new ATOM 1186 N GLY A 79 -10.325 -8.396 -8.007 1.00 0.00 N ATOM 1187 CA GLY A 79 -11.306 -7.418 -7.573 1.00 0.00 C ATOM 1188 C GLY A 79 -12.449 -7.267 -8.556 1.00 0.00 C ATOM 1189 O GLY A 79 -13.603 -7.110 -8.157 1.00 0.00 O ATOM 0 H GLY A 79 -9.357 -8.153 -7.798 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.703 -7.713 -6.602 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.817 -6.453 -7.438 1.00 0.00 H new ATOM 1193 N ASP A 80 -12.129 -7.314 -9.845 1.00 0.00 N ATOM 1194 CA ASP A 80 -13.139 -7.181 -10.888 1.00 0.00 C ATOM 1195 C ASP A 80 -14.144 -8.327 -10.822 1.00 0.00 C ATOM 1196 O ASP A 80 -13.783 -9.463 -10.518 1.00 0.00 O ATOM 1197 CB ASP A 80 -12.477 -7.145 -12.267 1.00 0.00 C ATOM 1198 CG ASP A 80 -11.700 -5.865 -12.504 1.00 0.00 C ATOM 1199 OD1 ASP A 80 -11.213 -5.275 -11.516 1.00 0.00 O ATOM 1200 OD2 ASP A 80 -11.580 -5.453 -13.676 1.00 0.00 O ATOM 0 H ASP A 80 -11.179 -7.443 -10.192 1.00 0.00 H new ATOM 0 HA ASP A 80 -13.673 -6.245 -10.725 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.805 -7.998 -12.367 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -13.242 -7.250 -13.037 1.00 0.00 H new ATOM 1205 N GLN A 81 -15.405 -8.019 -11.108 1.00 0.00 N ATOM 1206 CA GLN A 81 -16.461 -9.023 -11.078 1.00 0.00 C ATOM 1207 C GLN A 81 -16.420 -9.893 -12.331 1.00 0.00 C ATOM 1208 O GLN A 81 -16.350 -9.385 -13.449 1.00 0.00 O ATOM 1209 CB GLN A 81 -17.830 -8.351 -10.955 1.00 0.00 C ATOM 1210 CG GLN A 81 -18.010 -7.162 -11.885 1.00 0.00 C ATOM 1211 CD GLN A 81 -19.433 -6.640 -11.895 1.00 0.00 C ATOM 1212 OE1 GLN A 81 -20.138 -6.707 -10.888 1.00 0.00 O ATOM 1213 NE2 GLN A 81 -19.863 -6.115 -13.036 1.00 0.00 N ATOM 0 H GLN A 81 -15.720 -7.083 -11.363 1.00 0.00 H new ATOM 0 HA GLN A 81 -16.297 -9.660 -10.209 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -18.607 -9.087 -11.165 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -17.973 -8.022 -9.926 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -17.336 -6.362 -11.580 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -17.726 -7.451 -12.897 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -19.244 -6.080 -13.846 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -20.812 -5.747 -13.102 1.00 0.00 H new ATOM 1222 N ASN A 82 -16.463 -11.207 -12.134 1.00 0.00 N ATOM 1223 CA ASN A 82 -16.430 -12.148 -13.248 1.00 0.00 C ATOM 1224 C ASN A 82 -17.393 -13.307 -13.010 1.00 0.00 C ATOM 1225 O ASN A 82 -17.881 -13.504 -11.897 1.00 0.00 O ATOM 1226 CB ASN A 82 -15.010 -12.682 -13.449 1.00 0.00 C ATOM 1227 CG ASN A 82 -13.951 -11.671 -13.055 1.00 0.00 C ATOM 1228 OD1 ASN A 82 -13.857 -10.593 -13.642 1.00 0.00 O ATOM 1229 ND2 ASN A 82 -13.147 -12.016 -12.056 1.00 0.00 N ATOM 0 H ASN A 82 -16.521 -11.644 -11.214 1.00 0.00 H new ATOM 0 HA ASN A 82 -16.743 -11.619 -14.148 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -14.879 -13.589 -12.860 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -14.873 -12.959 -14.494 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -12.415 -11.377 -11.746 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -13.261 -12.920 -11.598 1.00 0.00 H new ATOM 1236 N VAL A 83 -17.661 -14.073 -14.063 1.00 0.00 N ATOM 1237 CA VAL A 83 -18.563 -15.214 -13.968 1.00 0.00 C ATOM 1238 C VAL A 83 -17.873 -16.499 -14.412 1.00 0.00 C ATOM 1239 O VAL A 83 -17.609 -16.695 -15.598 1.00 0.00 O ATOM 1240 CB VAL A 83 -19.827 -15.002 -14.823 1.00 0.00 C ATOM 1241 CG1 VAL A 83 -20.829 -16.120 -14.581 1.00 0.00 C ATOM 1242 CG2 VAL A 83 -20.448 -13.645 -14.527 1.00 0.00 C ATOM 0 H VAL A 83 -17.266 -13.924 -14.992 1.00 0.00 H new ATOM 0 HA VAL A 83 -18.851 -15.303 -12.921 1.00 0.00 H new ATOM 0 HB VAL A 83 -19.542 -15.024 -15.875 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -21.715 -15.953 -15.193 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -20.379 -17.076 -14.847 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -21.112 -16.133 -13.529 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -21.340 -13.512 -15.139 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -20.720 -13.592 -13.473 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -19.729 -12.858 -14.756 1.00 0.00 H new ATOM 1252 N GLU A 84 -17.583 -17.370 -13.451 1.00 0.00 N ATOM 1253 CA GLU A 84 -16.922 -18.637 -13.743 1.00 0.00 C ATOM 1254 C GLU A 84 -17.946 -19.732 -14.026 1.00 0.00 C ATOM 1255 O GLU A 84 -18.810 -20.018 -13.196 1.00 0.00 O ATOM 1256 CB GLU A 84 -16.025 -19.051 -12.575 1.00 0.00 C ATOM 1257 CG GLU A 84 -14.943 -20.046 -12.961 1.00 0.00 C ATOM 1258 CD GLU A 84 -14.165 -20.556 -11.764 1.00 0.00 C ATOM 1259 OE1 GLU A 84 -14.802 -20.913 -10.750 1.00 0.00 O ATOM 1260 OE2 GLU A 84 -12.920 -20.599 -11.841 1.00 0.00 O ATOM 0 H GLU A 84 -17.795 -17.222 -12.464 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.307 -18.500 -14.633 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.556 -18.161 -12.155 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -16.643 -19.486 -11.790 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -15.399 -20.890 -13.479 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.255 -19.575 -13.663 1.00 0.00 H new ATOM 1267 N TYR A 85 -17.843 -20.341 -15.202 1.00 0.00 N ATOM 1268 CA TYR A 85 -18.762 -21.403 -15.596 1.00 0.00 C ATOM 1269 C TYR A 85 -18.054 -22.442 -16.460 1.00 0.00 C ATOM 1270 O TYR A 85 -17.428 -22.109 -17.466 1.00 0.00 O ATOM 1271 CB TYR A 85 -19.954 -20.818 -16.355 1.00 0.00 C ATOM 1272 CG TYR A 85 -20.949 -21.860 -16.814 1.00 0.00 C ATOM 1273 CD1 TYR A 85 -21.587 -22.690 -15.900 1.00 0.00 C ATOM 1274 CD2 TYR A 85 -21.250 -22.016 -18.162 1.00 0.00 C ATOM 1275 CE1 TYR A 85 -22.496 -23.644 -16.315 1.00 0.00 C ATOM 1276 CE2 TYR A 85 -22.159 -22.966 -18.585 1.00 0.00 C ATOM 1277 CZ TYR A 85 -22.779 -23.778 -17.658 1.00 0.00 C ATOM 1278 OH TYR A 85 -23.684 -24.726 -18.076 1.00 0.00 O ATOM 0 H TYR A 85 -17.133 -20.118 -15.899 1.00 0.00 H new ATOM 0 HA TYR A 85 -19.121 -21.893 -14.691 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -20.464 -20.098 -15.715 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -19.588 -20.270 -17.223 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -21.368 -22.587 -14.847 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -20.765 -21.384 -18.891 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -22.982 -24.281 -15.591 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -22.383 -23.073 -19.636 1.00 0.00 H new ATOM 0 HH TYR A 85 -23.770 -24.689 -19.052 1.00 0.00 H new ATOM 1288 N LYS A 86 -18.159 -23.705 -16.059 1.00 0.00 N ATOM 1289 CA LYS A 86 -17.532 -24.796 -16.795 1.00 0.00 C ATOM 1290 C LYS A 86 -16.049 -24.518 -17.022 1.00 0.00 C ATOM 1291 O LYS A 86 -15.521 -24.761 -18.107 1.00 0.00 O ATOM 1292 CB LYS A 86 -18.235 -25.002 -18.139 1.00 0.00 C ATOM 1293 CG LYS A 86 -19.504 -25.831 -18.041 1.00 0.00 C ATOM 1294 CD LYS A 86 -19.789 -26.570 -19.338 1.00 0.00 C ATOM 1295 CE LYS A 86 -20.322 -25.631 -20.408 1.00 0.00 C ATOM 1296 NZ LYS A 86 -20.324 -26.268 -21.754 1.00 0.00 N ATOM 0 H LYS A 86 -18.673 -23.998 -15.228 1.00 0.00 H new ATOM 0 HA LYS A 86 -17.626 -25.704 -16.200 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -18.479 -24.029 -18.565 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.546 -25.488 -18.829 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -19.409 -26.548 -17.226 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -20.346 -25.182 -17.798 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -18.876 -27.048 -19.694 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -20.514 -27.363 -19.154 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -21.336 -25.324 -20.150 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -19.713 -24.728 -20.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -20.694 -25.596 -22.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -19.353 -26.538 -22.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -20.926 -27.116 -21.736 1.00 0.00 H new ATOM 1310 N GLY A 87 -15.382 -24.008 -15.991 1.00 0.00 N ATOM 1311 CA GLY A 87 -13.967 -23.707 -16.099 1.00 0.00 C ATOM 1312 C GLY A 87 -13.709 -22.326 -16.668 1.00 0.00 C ATOM 1313 O GLY A 87 -12.894 -21.570 -16.139 1.00 0.00 O ATOM 0 H GLY A 87 -15.797 -23.798 -15.083 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -13.507 -23.782 -15.114 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -13.488 -24.453 -16.733 1.00 0.00 H new ATOM 1317 N THR A 88 -14.405 -21.994 -17.751 1.00 0.00 N ATOM 1318 CA THR A 88 -14.246 -20.696 -18.394 1.00 0.00 C ATOM 1319 C THR A 88 -15.033 -19.618 -17.658 1.00 0.00 C ATOM 1320 O THR A 88 -16.227 -19.773 -17.400 1.00 0.00 O ATOM 1321 CB THR A 88 -14.705 -20.737 -19.864 1.00 0.00 C ATOM 1322 OG1 THR A 88 -16.002 -21.337 -19.956 1.00 0.00 O ATOM 1323 CG2 THR A 88 -13.717 -21.518 -20.717 1.00 0.00 C ATOM 0 H THR A 88 -15.085 -22.607 -18.201 1.00 0.00 H new ATOM 0 HA THR A 88 -13.184 -20.454 -18.359 1.00 0.00 H new ATOM 0 HB THR A 88 -14.752 -19.714 -20.236 1.00 0.00 H new ATOM 0 HG1 THR A 88 -16.403 -21.387 -19.063 1.00 0.00 H new ATOM 0 HG21 THR A 88 -14.062 -21.534 -21.751 1.00 0.00 H new ATOM 0 HG22 THR A 88 -12.738 -21.041 -20.668 1.00 0.00 H new ATOM 0 HG23 THR A 88 -13.642 -22.539 -20.344 1.00 0.00 H new ATOM 1331 N VAL A 89 -14.358 -18.524 -17.322 1.00 0.00 N ATOM 1332 CA VAL A 89 -14.995 -17.418 -16.617 1.00 0.00 C ATOM 1333 C VAL A 89 -15.151 -16.204 -17.525 1.00 0.00 C ATOM 1334 O VAL A 89 -14.174 -15.706 -18.085 1.00 0.00 O ATOM 1335 CB VAL A 89 -14.191 -17.011 -15.367 1.00 0.00 C ATOM 1336 CG1 VAL A 89 -12.805 -17.638 -15.396 1.00 0.00 C ATOM 1337 CG2 VAL A 89 -14.098 -15.496 -15.264 1.00 0.00 C ATOM 0 H VAL A 89 -13.369 -18.380 -17.527 1.00 0.00 H new ATOM 0 HA VAL A 89 -15.981 -17.766 -16.308 1.00 0.00 H new ATOM 0 HB VAL A 89 -14.712 -17.381 -14.484 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -12.252 -17.339 -14.506 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -12.897 -18.724 -15.419 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -12.272 -17.301 -16.285 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -13.527 -15.226 -14.376 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -13.600 -15.101 -16.149 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -15.100 -15.074 -15.193 1.00 0.00 H new ATOM 1347 N TRP A 90 -16.384 -15.732 -17.666 1.00 0.00 N ATOM 1348 CA TRP A 90 -16.668 -14.574 -18.507 1.00 0.00 C ATOM 1349 C TRP A 90 -16.932 -13.336 -17.657 1.00 0.00 C ATOM 1350 O TRP A 90 -17.672 -13.391 -16.674 1.00 0.00 O ATOM 1351 CB TRP A 90 -17.871 -14.855 -19.408 1.00 0.00 C ATOM 1352 CG TRP A 90 -17.766 -16.153 -20.150 1.00 0.00 C ATOM 1353 CD1 TRP A 90 -17.760 -17.408 -19.611 1.00 0.00 C ATOM 1354 CD2 TRP A 90 -17.651 -16.323 -21.567 1.00 0.00 C ATOM 1355 NE1 TRP A 90 -17.648 -18.348 -20.607 1.00 0.00 N ATOM 1356 CE2 TRP A 90 -17.580 -17.708 -21.816 1.00 0.00 C ATOM 1357 CE3 TRP A 90 -17.603 -15.441 -22.650 1.00 0.00 C ATOM 1358 CZ2 TRP A 90 -17.463 -18.227 -23.103 1.00 0.00 C ATOM 1359 CZ3 TRP A 90 -17.485 -15.958 -23.926 1.00 0.00 C ATOM 1360 CH2 TRP A 90 -17.417 -17.341 -24.144 1.00 0.00 C ATOM 0 H TRP A 90 -17.203 -16.133 -17.209 1.00 0.00 H new ATOM 0 HA TRP A 90 -15.793 -14.385 -19.129 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -18.776 -14.864 -18.801 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -17.976 -14.042 -20.126 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -17.833 -17.629 -18.556 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -17.620 -19.358 -20.468 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -17.657 -14.374 -22.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -17.410 -19.292 -23.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -17.444 -15.285 -24.770 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -17.327 -17.714 -25.153 1.00 0.00 H new ATOM 1371 N HIS A 91 -16.322 -12.219 -18.041 1.00 0.00 N ATOM 1372 CA HIS A 91 -16.493 -10.966 -17.314 1.00 0.00 C ATOM 1373 C HIS A 91 -17.965 -10.713 -17.006 1.00 0.00 C ATOM 1374 O HIS A 91 -18.828 -10.875 -17.869 1.00 0.00 O ATOM 1375 CB HIS A 91 -15.922 -9.801 -18.123 1.00 0.00 C ATOM 1376 CG HIS A 91 -14.426 -9.738 -18.109 1.00 0.00 C ATOM 1377 ND1 HIS A 91 -13.660 -9.772 -19.255 1.00 0.00 N ATOM 1378 CD2 HIS A 91 -13.553 -9.641 -17.078 1.00 0.00 C ATOM 1379 CE1 HIS A 91 -12.382 -9.701 -18.930 1.00 0.00 C ATOM 1380 NE2 HIS A 91 -12.289 -9.620 -17.615 1.00 0.00 N ATOM 0 H HIS A 91 -15.705 -12.156 -18.851 1.00 0.00 H new ATOM 0 HA HIS A 91 -15.951 -11.045 -16.371 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -16.264 -9.884 -19.155 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -16.320 -8.866 -17.729 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -14.024 -9.841 -20.205 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -13.804 -9.590 -16.029 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -11.553 -9.708 -19.622 1.00 0.00 H new ATOM 1388 N LYS A 92 -18.246 -10.316 -15.769 1.00 0.00 N ATOM 1389 CA LYS A 92 -19.614 -10.040 -15.345 1.00 0.00 C ATOM 1390 C LYS A 92 -20.367 -9.256 -16.415 1.00 0.00 C ATOM 1391 O LYS A 92 -21.597 -9.277 -16.462 1.00 0.00 O ATOM 1392 CB LYS A 92 -19.614 -9.258 -14.030 1.00 0.00 C ATOM 1393 CG LYS A 92 -21.004 -9.012 -13.469 1.00 0.00 C ATOM 1394 CD LYS A 92 -21.531 -10.231 -12.730 1.00 0.00 C ATOM 1395 CE LYS A 92 -22.968 -10.028 -12.275 1.00 0.00 C ATOM 1396 NZ LYS A 92 -23.469 -11.188 -11.486 1.00 0.00 N ATOM 0 H LYS A 92 -17.544 -10.178 -15.042 1.00 0.00 H new ATOM 0 HA LYS A 92 -20.121 -10.993 -15.194 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -19.025 -9.803 -13.293 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -19.120 -8.299 -14.187 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -20.978 -8.158 -12.792 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -21.685 -8.755 -14.281 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -21.474 -11.105 -13.379 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -20.900 -10.435 -11.865 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -23.033 -9.123 -11.671 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -23.607 -9.878 -13.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -24.451 -11.011 -11.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -23.431 -12.048 -12.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -22.875 -11.316 -10.642 1.00 0.00 H new ATOM 1410 N ASP A 93 -19.622 -8.567 -17.272 1.00 0.00 N ATOM 1411 CA ASP A 93 -20.219 -7.779 -18.343 1.00 0.00 C ATOM 1412 C ASP A 93 -20.323 -8.596 -19.627 1.00 0.00 C ATOM 1413 O ASP A 93 -21.309 -8.501 -20.359 1.00 0.00 O ATOM 1414 CB ASP A 93 -19.397 -6.514 -18.594 1.00 0.00 C ATOM 1415 CG ASP A 93 -19.864 -5.753 -19.820 1.00 0.00 C ATOM 1416 OD1 ASP A 93 -21.079 -5.481 -19.922 1.00 0.00 O ATOM 1417 OD2 ASP A 93 -19.015 -5.430 -20.676 1.00 0.00 O ATOM 0 H ASP A 93 -18.603 -8.538 -17.246 1.00 0.00 H new ATOM 0 HA ASP A 93 -21.224 -7.494 -18.033 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -19.460 -5.864 -17.721 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -18.348 -6.784 -18.715 1.00 0.00 H new ATOM 1422 N CYS A 94 -19.298 -9.399 -19.896 1.00 0.00 N ATOM 1423 CA CYS A 94 -19.272 -10.232 -21.092 1.00 0.00 C ATOM 1424 C CYS A 94 -20.413 -11.245 -21.074 1.00 0.00 C ATOM 1425 O CYS A 94 -21.029 -11.521 -22.104 1.00 0.00 O ATOM 1426 CB CYS A 94 -17.931 -10.960 -21.203 1.00 0.00 C ATOM 1427 SG CYS A 94 -16.605 -9.964 -21.958 1.00 0.00 S ATOM 0 H CYS A 94 -18.474 -9.490 -19.301 1.00 0.00 H new ATOM 0 HA CYS A 94 -19.399 -9.584 -21.959 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -17.615 -11.271 -20.207 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -18.070 -11.867 -21.791 1.00 0.00 H new ATOM 0 HG CYS A 94 -15.450 -10.392 -21.542 1.00 0.00 H new ATOM 1432 N PHE A 95 -20.690 -11.796 -19.897 1.00 0.00 N ATOM 1433 CA PHE A 95 -21.756 -12.779 -19.744 1.00 0.00 C ATOM 1434 C PHE A 95 -23.108 -12.092 -19.575 1.00 0.00 C ATOM 1435 O PHE A 95 -23.590 -11.913 -18.456 1.00 0.00 O ATOM 1436 CB PHE A 95 -21.476 -13.683 -18.543 1.00 0.00 C ATOM 1437 CG PHE A 95 -22.102 -15.044 -18.658 1.00 0.00 C ATOM 1438 CD1 PHE A 95 -23.453 -15.179 -18.935 1.00 0.00 C ATOM 1439 CD2 PHE A 95 -21.339 -16.188 -18.490 1.00 0.00 C ATOM 1440 CE1 PHE A 95 -24.032 -16.429 -19.042 1.00 0.00 C ATOM 1441 CE2 PHE A 95 -21.913 -17.441 -18.596 1.00 0.00 C ATOM 1442 CZ PHE A 95 -23.261 -17.562 -18.871 1.00 0.00 C ATOM 0 H PHE A 95 -20.191 -11.578 -19.035 1.00 0.00 H new ATOM 0 HA PHE A 95 -21.788 -13.388 -20.648 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -20.398 -13.796 -18.427 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -21.844 -13.198 -17.639 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -24.061 -14.296 -19.069 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -20.285 -16.100 -18.274 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -25.086 -16.520 -19.259 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -21.307 -18.325 -18.464 1.00 0.00 H new ATOM 0 HZ PHE A 95 -23.711 -18.540 -18.952 1.00 0.00 H new