USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 719 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 14 HIS : no HD1:sc= -0.136 K(o=-1,f=-14!) USER MOD Set 1.2: A 86 SER OG : rot -149:sc= 0.015 USER MOD Set 1.3: A 91 HIS : no HE2:sc= -0.926! C(o=-1!,f=-19!) USER MOD Single : A 9 LYS NZ :NH3+ 161:sc= -0.0591 (180deg=-0.504) USER MOD Single : A 11 LYS NZ :NH3+ -113:sc= 0.77 (180deg=-1.89!) USER MOD Single : A 12 CYS SG : rot 178:sc= -1.92 USER MOD Single : A 13 SER OG : rot 180:sc= -0.534 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -164:sc= -0.0803 (180deg=-0.604) USER MOD Single : A 20 GLN : amide:sc= -0.0221 X(o=-0.022,f=-0.022) USER MOD Single : A 27 GLN :FLIP amide:sc= -7.21! C(o=-9!,f=-7.2!) USER MOD Single : A 31 LYS NZ :NH3+ -121:sc= -0.0668! (180deg=-5.12!) USER MOD Single : A 35 LYS NZ :NH3+ 156:sc= -0.216 (180deg=-0.944) USER MOD Single : A 38 LYS NZ :NH3+ 160:sc= 0.472 (180deg=-0.873) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= -0.0813! (180deg=-0.0813!) USER MOD Single : A 44 SER OG : rot -163:sc= -8.45! USER MOD Single : A 49 SER OG : rot -9:sc= -1.98! USER MOD Single : A 51 LYS NZ :NH3+ -167:sc= -0.517 (180deg=-1.07!) USER MOD Single : A 55 SER OG : rot 180:sc= -0.226 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 144:sc= -0.423 (180deg=-4.2!) USER MOD Single : A 64 MET CE :methyl -167:sc= -0.956 (180deg=-1.29) USER MOD Single : A 66 LYS NZ :NH3+ 163:sc= -0.183 (180deg=-1.41!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 81 SER OG : rot 83:sc= 0.402 USER MOD Single : A 85 LYS NZ :NH3+ -163:sc= 0.597 (180deg=0.0947) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -164:sc= 1.15 (180deg=-0.677) USER MOD ----------------------------------------------------------------- ATOM 96 N LYS A 9 -12.110 8.662 -0.623 1.00 0.00 N ATOM 97 CA LYS A 9 -11.181 7.992 0.248 1.00 0.00 C ATOM 98 C LYS A 9 -10.574 6.839 -0.513 1.00 0.00 C ATOM 99 O LYS A 9 -11.208 6.277 -1.416 1.00 0.00 O ATOM 100 CB LYS A 9 -11.876 7.435 1.491 1.00 0.00 C ATOM 101 CG LYS A 9 -12.369 8.567 2.380 1.00 0.00 C ATOM 102 CD LYS A 9 -13.052 7.972 3.617 1.00 0.00 C ATOM 103 CE LYS A 9 -13.500 9.097 4.540 1.00 0.00 C ATOM 104 NZ LYS A 9 -14.504 9.934 3.845 1.00 0.00 N ATOM 0 HA LYS A 9 -10.426 8.709 0.569 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.715 6.806 1.194 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.185 6.802 2.048 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.534 9.201 2.680 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.068 9.199 1.832 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.910 7.370 3.318 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.364 7.309 4.142 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.925 8.684 5.455 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.644 9.705 4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.040 10.486 4.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.022 10.581 3.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -15.156 9.324 3.312 1.00 0.00 H new ATOM 118 N ILE A 10 -9.398 6.434 -0.121 1.00 0.00 N ATOM 119 CA ILE A 10 -8.779 5.313 -0.757 1.00 0.00 C ATOM 120 C ILE A 10 -8.847 4.124 0.165 1.00 0.00 C ATOM 121 O ILE A 10 -8.339 4.174 1.292 1.00 0.00 O ATOM 122 CB ILE A 10 -7.310 5.603 -1.104 1.00 0.00 C ATOM 123 CG1 ILE A 10 -7.028 7.108 -0.986 1.00 0.00 C ATOM 124 CG2 ILE A 10 -7.047 5.152 -2.542 1.00 0.00 C ATOM 125 CD1 ILE A 10 -5.679 7.440 -1.638 1.00 0.00 C ATOM 0 H ILE A 10 -8.856 6.861 0.630 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.312 5.108 -1.685 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.660 5.065 -0.414 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.824 7.675 -1.469 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.017 7.404 0.063 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.007 5.352 -2.802 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.244 4.084 -2.630 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.702 5.699 -3.220 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.486 8.509 -1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.886 6.886 -1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.706 7.161 -2.691 1.00 0.00 H new ATOM 137 N LYS A 11 -9.425 3.053 -0.317 1.00 0.00 N ATOM 138 CA LYS A 11 -9.445 1.814 0.416 1.00 0.00 C ATOM 139 C LYS A 11 -8.250 1.030 -0.053 1.00 0.00 C ATOM 140 O LYS A 11 -8.206 0.625 -1.206 1.00 0.00 O ATOM 141 CB LYS A 11 -10.718 1.022 0.085 1.00 0.00 C ATOM 142 CG LYS A 11 -11.969 1.797 0.523 1.00 0.00 C ATOM 143 CD LYS A 11 -13.220 1.027 0.076 1.00 0.00 C ATOM 144 CE LYS A 11 -13.389 -0.234 0.943 1.00 0.00 C ATOM 145 NZ LYS A 11 -14.701 -0.877 0.684 1.00 0.00 N ATOM 0 H LYS A 11 -9.892 3.015 -1.223 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.423 1.997 1.490 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.762 0.826 -0.986 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.690 0.054 0.585 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.973 1.924 1.606 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.965 2.795 0.085 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.101 1.662 0.165 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.132 0.749 -0.974 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.585 -0.938 0.730 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.310 0.030 1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.298 -0.801 1.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.170 -0.401 -0.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.556 -1.880 0.451 1.00 0.00 H new ATOM 159 N CYS A 12 -7.217 0.955 0.756 1.00 0.00 N ATOM 160 CA CYS A 12 -5.979 0.362 0.277 1.00 0.00 C ATOM 161 C CYS A 12 -5.211 -0.358 1.353 1.00 0.00 C ATOM 162 O CYS A 12 -5.445 -0.175 2.555 1.00 0.00 O ATOM 163 CB CYS A 12 -5.094 1.428 -0.402 1.00 0.00 C ATOM 164 SG CYS A 12 -3.551 1.654 0.527 1.00 0.00 S ATOM 0 H CYS A 12 -7.202 1.285 1.721 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.261 -0.392 -0.457 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.869 1.126 -1.425 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.633 2.374 -0.460 1.00 0.00 H new ATOM 0 HG CYS A 12 -2.800 2.522 -0.083 1.00 0.00 H new ATOM 170 N SER A 13 -4.236 -1.110 0.902 1.00 0.00 N ATOM 171 CA SER A 13 -3.306 -1.793 1.751 1.00 0.00 C ATOM 172 C SER A 13 -1.906 -1.499 1.245 1.00 0.00 C ATOM 173 O SER A 13 -1.703 -1.398 0.028 1.00 0.00 O ATOM 174 CB SER A 13 -3.579 -3.300 1.719 1.00 0.00 C ATOM 175 OG SER A 13 -4.987 -3.536 1.808 1.00 0.00 O ATOM 0 H SER A 13 -4.068 -1.264 -0.092 1.00 0.00 H new ATOM 0 HA SER A 13 -3.410 -1.452 2.781 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.186 -3.731 0.799 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.065 -3.790 2.546 1.00 0.00 H new ATOM 0 HG SER A 13 -5.159 -4.501 1.786 1.00 0.00 H new ATOM 181 N HIS A 14 -0.955 -1.305 2.144 1.00 0.00 N ATOM 182 CA HIS A 14 0.399 -0.950 1.717 1.00 0.00 C ATOM 183 C HIS A 14 1.471 -1.726 2.460 1.00 0.00 C ATOM 184 O HIS A 14 1.282 -2.128 3.611 1.00 0.00 O ATOM 185 CB HIS A 14 0.633 0.572 1.811 1.00 0.00 C ATOM 186 CG HIS A 14 1.467 0.939 3.024 1.00 0.00 C ATOM 187 ND1 HIS A 14 2.669 1.617 2.906 1.00 0.00 N ATOM 188 CD2 HIS A 14 1.288 0.723 4.369 1.00 0.00 C ATOM 189 CE1 HIS A 14 3.162 1.793 4.151 1.00 0.00 C ATOM 190 NE2 HIS A 14 2.362 1.262 5.077 1.00 0.00 N ATOM 0 H HIS A 14 -1.084 -1.384 3.153 1.00 0.00 H new ATOM 0 HA HIS A 14 0.483 -1.239 0.669 1.00 0.00 H new ATOM 0 HB2 HIS A 14 1.133 0.920 0.907 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.327 1.085 1.861 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.444 0.214 4.811 1.00 0.00 H new ATOM 0 HE1 HIS A 14 4.090 2.301 4.370 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.505 1.252 6.087 1.00 0.00 H new ATOM 198 N ILE A 15 2.582 -1.937 1.780 1.00 0.00 N ATOM 199 CA ILE A 15 3.729 -2.645 2.323 1.00 0.00 C ATOM 200 C ILE A 15 4.960 -1.749 2.178 1.00 0.00 C ATOM 201 O ILE A 15 5.300 -1.346 1.065 1.00 0.00 O ATOM 202 CB ILE A 15 3.905 -3.948 1.516 1.00 0.00 C ATOM 203 CG1 ILE A 15 2.657 -4.816 1.690 1.00 0.00 C ATOM 204 CG2 ILE A 15 5.136 -4.737 1.981 1.00 0.00 C ATOM 205 CD1 ILE A 15 2.669 -5.960 0.683 1.00 0.00 C ATOM 0 H ILE A 15 2.716 -1.617 0.821 1.00 0.00 H new ATOM 0 HA ILE A 15 3.591 -2.888 3.377 1.00 0.00 H new ATOM 0 HB ILE A 15 4.047 -3.684 0.468 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.620 -5.214 2.704 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.761 -4.210 1.553 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.228 -5.648 1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.030 -4.127 1.850 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.025 -4.997 3.034 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.776 -6.571 0.816 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.684 -5.554 -0.329 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.556 -6.574 0.840 1.00 0.00 H new ATOM 217 N LEU A 16 5.615 -1.434 3.292 1.00 0.00 N ATOM 218 CA LEU A 16 6.801 -0.574 3.269 1.00 0.00 C ATOM 219 C LEU A 16 8.022 -1.450 3.384 1.00 0.00 C ATOM 220 O LEU A 16 8.169 -2.180 4.375 1.00 0.00 O ATOM 221 CB LEU A 16 6.774 0.386 4.474 1.00 0.00 C ATOM 222 CG LEU A 16 7.693 1.602 4.222 1.00 0.00 C ATOM 223 CD1 LEU A 16 7.246 2.775 5.096 1.00 0.00 C ATOM 224 CD2 LEU A 16 9.149 1.264 4.559 1.00 0.00 C ATOM 0 H LEU A 16 5.348 -1.759 4.221 1.00 0.00 H new ATOM 0 HA LEU A 16 6.819 0.003 2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.754 0.725 4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.097 -0.140 5.372 1.00 0.00 H new ATOM 0 HG LEU A 16 7.623 1.868 3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.896 3.631 4.916 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.218 3.042 4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.305 2.489 6.146 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.777 2.135 4.374 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.223 0.980 5.609 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.484 0.436 3.935 1.00 0.00 H new ATOM 236 N VAL A 17 8.908 -1.387 2.410 1.00 0.00 N ATOM 237 CA VAL A 17 10.098 -2.214 2.446 1.00 0.00 C ATOM 238 C VAL A 17 11.352 -1.429 2.108 1.00 0.00 C ATOM 239 O VAL A 17 11.322 -0.466 1.346 1.00 0.00 O ATOM 240 CB VAL A 17 9.952 -3.413 1.501 1.00 0.00 C ATOM 241 CG1 VAL A 17 8.796 -4.305 1.976 1.00 0.00 C ATOM 242 CG2 VAL A 17 9.657 -2.925 0.080 1.00 0.00 C ATOM 0 H VAL A 17 8.829 -0.780 1.594 1.00 0.00 H new ATOM 0 HA VAL A 17 10.204 -2.576 3.469 1.00 0.00 H new ATOM 0 HB VAL A 17 10.882 -3.981 1.504 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.693 -5.157 1.303 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.003 -4.662 2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.870 -3.730 1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.555 -3.782 -0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.730 -2.351 0.077 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.476 -2.294 -0.265 1.00 0.00 H new ATOM 252 N LYS A 18 12.455 -1.873 2.664 1.00 0.00 N ATOM 253 CA LYS A 18 13.752 -1.289 2.403 1.00 0.00 C ATOM 254 C LYS A 18 14.191 -1.531 0.959 1.00 0.00 C ATOM 255 O LYS A 18 14.908 -0.710 0.368 1.00 0.00 O ATOM 256 CB LYS A 18 14.779 -1.832 3.390 1.00 0.00 C ATOM 257 CG LYS A 18 14.418 -1.321 4.794 1.00 0.00 C ATOM 258 CD LYS A 18 15.414 -1.853 5.825 1.00 0.00 C ATOM 259 CE LYS A 18 15.011 -1.346 7.221 1.00 0.00 C ATOM 260 NZ LYS A 18 15.943 -1.883 8.241 1.00 0.00 N ATOM 0 H LYS A 18 12.479 -2.657 3.316 1.00 0.00 H new ATOM 0 HA LYS A 18 13.677 -0.210 2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.783 -2.922 3.372 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.781 -1.505 3.113 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.422 -0.231 4.804 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.409 -1.639 5.056 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.426 -2.943 5.809 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.423 -1.520 5.580 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.026 -0.256 7.240 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.991 -1.655 7.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.665 -1.537 9.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.908 -2.922 8.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.911 -1.567 8.028 1.00 0.00 H new ATOM 274 N LYS A 19 13.887 -2.727 0.446 1.00 0.00 N ATOM 275 CA LYS A 19 14.374 -3.137 -0.870 1.00 0.00 C ATOM 276 C LYS A 19 13.245 -3.186 -1.898 1.00 0.00 C ATOM 277 O LYS A 19 12.162 -3.726 -1.633 1.00 0.00 O ATOM 278 CB LYS A 19 15.007 -4.520 -0.776 1.00 0.00 C ATOM 279 CG LYS A 19 16.190 -4.488 0.195 1.00 0.00 C ATOM 280 CD LYS A 19 16.832 -5.881 0.279 1.00 0.00 C ATOM 281 CE LYS A 19 17.900 -5.884 1.378 1.00 0.00 C ATOM 282 NZ LYS A 19 18.852 -4.764 1.155 1.00 0.00 N ATOM 0 H LYS A 19 13.310 -3.422 0.920 1.00 0.00 H new ATOM 0 HA LYS A 19 15.109 -2.400 -1.193 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.267 -5.246 -0.438 1.00 0.00 H new ATOM 0 HB3 LYS A 19 15.343 -4.843 -1.761 1.00 0.00 H new ATOM 0 HG2 LYS A 19 16.927 -3.757 -0.139 1.00 0.00 H new ATOM 0 HG3 LYS A 19 15.853 -4.173 1.183 1.00 0.00 H new ATOM 0 HD2 LYS A 19 16.071 -6.632 0.494 1.00 0.00 H new ATOM 0 HD3 LYS A 19 17.280 -6.146 -0.679 1.00 0.00 H new ATOM 0 HE2 LYS A 19 17.429 -5.785 2.356 1.00 0.00 H new ATOM 0 HE3 LYS A 19 18.434 -6.834 1.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 19.711 -4.921 1.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 19.104 -4.718 0.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 18.408 -3.868 1.441 1.00 0.00 H new ATOM 296 N GLN A 20 13.549 -2.768 -3.115 1.00 0.00 N ATOM 297 CA GLN A 20 12.608 -2.874 -4.217 1.00 0.00 C ATOM 298 C GLN A 20 12.324 -4.341 -4.523 1.00 0.00 C ATOM 299 O GLN A 20 11.191 -4.719 -4.817 1.00 0.00 O ATOM 300 CB GLN A 20 13.151 -2.150 -5.454 1.00 0.00 C ATOM 301 CG GLN A 20 13.169 -0.638 -5.182 1.00 0.00 C ATOM 302 CD GLN A 20 13.799 0.101 -6.352 1.00 0.00 C ATOM 303 OE1 GLN A 20 14.996 -0.059 -6.609 1.00 0.00 O ATOM 304 NE2 GLN A 20 13.078 0.895 -7.076 1.00 0.00 N ATOM 0 H GLN A 20 14.445 -2.350 -3.366 1.00 0.00 H new ATOM 0 HA GLN A 20 11.671 -2.396 -3.931 1.00 0.00 H new ATOM 0 HB2 GLN A 20 14.156 -2.503 -5.686 1.00 0.00 H new ATOM 0 HB3 GLN A 20 12.529 -2.369 -6.322 1.00 0.00 H new ATOM 0 HG2 GLN A 20 12.153 -0.278 -5.021 1.00 0.00 H new ATOM 0 HG3 GLN A 20 13.728 -0.432 -4.269 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.089 1.025 -6.861 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.498 1.391 -7.862 1.00 0.00 H new ATOM 313 N GLY A 21 13.348 -5.170 -4.402 1.00 0.00 N ATOM 314 CA GLY A 21 13.193 -6.605 -4.616 1.00 0.00 C ATOM 315 C GLY A 21 12.223 -7.185 -3.609 1.00 0.00 C ATOM 316 O GLY A 21 11.388 -8.035 -3.944 1.00 0.00 O ATOM 0 H GLY A 21 14.294 -4.878 -4.158 1.00 0.00 H new ATOM 0 HA2 GLY A 21 12.832 -6.792 -5.628 1.00 0.00 H new ATOM 0 HA3 GLY A 21 14.160 -7.100 -4.526 1.00 0.00 H new ATOM 320 N GLU A 22 12.262 -6.662 -2.392 1.00 0.00 N ATOM 321 CA GLU A 22 11.312 -7.064 -1.381 1.00 0.00 C ATOM 322 C GLU A 22 9.920 -6.620 -1.809 1.00 0.00 C ATOM 323 O GLU A 22 8.950 -7.389 -1.728 1.00 0.00 O ATOM 324 CB GLU A 22 11.673 -6.427 -0.039 1.00 0.00 C ATOM 325 CG GLU A 22 12.972 -7.044 0.515 1.00 0.00 C ATOM 326 CD GLU A 22 13.406 -6.321 1.788 1.00 0.00 C ATOM 327 OE1 GLU A 22 12.677 -5.464 2.242 1.00 0.00 O ATOM 328 OE2 GLU A 22 14.447 -6.648 2.304 1.00 0.00 O ATOM 0 H GLU A 22 12.939 -5.963 -2.088 1.00 0.00 H new ATOM 0 HA GLU A 22 11.334 -8.148 -1.268 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.797 -5.351 -0.161 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.860 -6.575 0.672 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.818 -8.102 0.725 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.761 -6.979 -0.234 1.00 0.00 H new ATOM 335 N ALA A 23 9.842 -5.404 -2.349 1.00 0.00 N ATOM 336 CA ALA A 23 8.575 -4.895 -2.863 1.00 0.00 C ATOM 337 C ALA A 23 8.066 -5.808 -3.964 1.00 0.00 C ATOM 338 O ALA A 23 6.894 -6.178 -3.986 1.00 0.00 O ATOM 339 CB ALA A 23 8.731 -3.466 -3.403 1.00 0.00 C ATOM 0 H ALA A 23 10.630 -4.763 -2.440 1.00 0.00 H new ATOM 0 HA ALA A 23 7.857 -4.873 -2.043 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.771 -3.112 -3.779 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.071 -2.809 -2.602 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.462 -3.460 -4.211 1.00 0.00 H new ATOM 345 N LEU A 24 8.956 -6.204 -4.856 1.00 0.00 N ATOM 346 CA LEU A 24 8.562 -7.117 -5.908 1.00 0.00 C ATOM 347 C LEU A 24 8.151 -8.445 -5.316 1.00 0.00 C ATOM 348 O LEU A 24 7.214 -9.070 -5.786 1.00 0.00 O ATOM 349 CB LEU A 24 9.655 -7.330 -6.953 1.00 0.00 C ATOM 350 CG LEU A 24 9.930 -6.024 -7.713 1.00 0.00 C ATOM 351 CD1 LEU A 24 10.791 -6.329 -8.930 1.00 0.00 C ATOM 352 CD2 LEU A 24 8.626 -5.372 -8.160 1.00 0.00 C ATOM 0 H LEU A 24 9.934 -5.915 -4.873 1.00 0.00 H new ATOM 0 HA LEU A 24 7.716 -6.659 -6.421 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.568 -7.675 -6.468 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.351 -8.109 -7.653 1.00 0.00 H new ATOM 0 HG LEU A 24 10.450 -5.333 -7.050 1.00 0.00 H new ATOM 0 HD11 LEU A 24 10.991 -5.406 -9.475 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.734 -6.771 -8.607 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.266 -7.028 -9.581 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.846 -4.449 -8.696 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.085 -6.053 -8.817 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.013 -5.147 -7.287 1.00 0.00 H new ATOM 364 N ALA A 25 8.875 -8.890 -4.298 1.00 0.00 N ATOM 365 CA ALA A 25 8.585 -10.174 -3.670 1.00 0.00 C ATOM 366 C ALA A 25 7.135 -10.217 -3.215 1.00 0.00 C ATOM 367 O ALA A 25 6.394 -11.140 -3.570 1.00 0.00 O ATOM 368 CB ALA A 25 9.511 -10.416 -2.472 1.00 0.00 C ATOM 0 H ALA A 25 9.663 -8.386 -3.891 1.00 0.00 H new ATOM 0 HA ALA A 25 8.756 -10.960 -4.406 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.276 -11.379 -2.020 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.548 -10.416 -2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.368 -9.625 -1.736 1.00 0.00 H new ATOM 374 N VAL A 26 6.703 -9.183 -2.504 1.00 0.00 N ATOM 375 CA VAL A 26 5.307 -9.115 -2.098 1.00 0.00 C ATOM 376 C VAL A 26 4.399 -9.002 -3.323 1.00 0.00 C ATOM 377 O VAL A 26 3.386 -9.686 -3.420 1.00 0.00 O ATOM 378 CB VAL A 26 5.053 -7.969 -1.089 1.00 0.00 C ATOM 379 CG1 VAL A 26 5.981 -8.133 0.113 1.00 0.00 C ATOM 380 CG2 VAL A 26 5.322 -6.610 -1.736 1.00 0.00 C ATOM 0 H VAL A 26 7.282 -8.399 -2.203 1.00 0.00 H new ATOM 0 HA VAL A 26 5.064 -10.043 -1.580 1.00 0.00 H new ATOM 0 HB VAL A 26 4.011 -8.014 -0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.802 -7.326 0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.786 -9.091 0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.018 -8.099 -0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.137 -5.818 -1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.359 -6.564 -2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.661 -6.478 -2.593 1.00 0.00 H new ATOM 390 N GLN A 27 4.815 -8.198 -4.295 1.00 0.00 N ATOM 391 CA GLN A 27 4.043 -8.030 -5.528 1.00 0.00 C ATOM 392 C GLN A 27 3.865 -9.353 -6.253 1.00 0.00 C ATOM 393 O GLN A 27 2.764 -9.678 -6.714 1.00 0.00 O ATOM 394 CB GLN A 27 4.746 -7.019 -6.447 1.00 0.00 C ATOM 395 CG GLN A 27 4.569 -5.609 -5.882 1.00 0.00 C ATOM 396 CD GLN A 27 5.349 -4.591 -6.706 1.00 0.00 C ATOM 397 OE1 GLN A 27 5.410 -3.366 -6.312 1.00 0.00 O flip ATOM 398 NE2 GLN A 27 5.913 -4.931 -7.745 1.00 0.00 N flip ATOM 0 H GLN A 27 5.677 -7.654 -4.257 1.00 0.00 H new ATOM 0 HA GLN A 27 3.054 -7.657 -5.262 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.806 -7.260 -6.527 1.00 0.00 H new ATOM 0 HB3 GLN A 27 4.329 -7.074 -7.453 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.511 -5.345 -5.877 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.909 -5.582 -4.847 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.865 -5.901 -8.057 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.429 -4.243 -8.294 1.00 0.00 H new ATOM 407 N GLU A 28 4.930 -10.095 -6.383 1.00 0.00 N ATOM 408 CA GLU A 28 4.875 -11.369 -7.055 1.00 0.00 C ATOM 409 C GLU A 28 4.179 -12.423 -6.221 1.00 0.00 C ATOM 410 O GLU A 28 3.404 -13.214 -6.741 1.00 0.00 O ATOM 411 CB GLU A 28 6.252 -11.819 -7.528 1.00 0.00 C ATOM 412 CG GLU A 28 6.704 -10.862 -8.636 1.00 0.00 C ATOM 413 CD GLU A 28 5.710 -10.922 -9.785 1.00 0.00 C ATOM 414 OE1 GLU A 28 5.537 -11.980 -10.337 1.00 0.00 O ATOM 415 OE2 GLU A 28 5.125 -9.908 -10.090 1.00 0.00 O ATOM 0 H GLU A 28 5.853 -9.840 -6.031 1.00 0.00 H new ATOM 0 HA GLU A 28 4.266 -11.233 -7.949 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.962 -11.808 -6.701 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.212 -12.843 -7.900 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.771 -9.845 -8.250 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.699 -11.136 -8.986 1.00 0.00 H new ATOM 422 N ARG A 29 4.411 -12.410 -4.925 1.00 0.00 N ATOM 423 CA ARG A 29 3.741 -13.361 -4.071 1.00 0.00 C ATOM 424 C ARG A 29 2.238 -13.093 -4.083 1.00 0.00 C ATOM 425 O ARG A 29 1.425 -14.021 -4.106 1.00 0.00 O ATOM 426 CB ARG A 29 4.284 -13.358 -2.641 1.00 0.00 C ATOM 427 CG ARG A 29 3.600 -14.495 -1.885 1.00 0.00 C ATOM 428 CD ARG A 29 4.187 -14.656 -0.487 1.00 0.00 C ATOM 429 NE ARG A 29 3.671 -15.888 0.086 1.00 0.00 N ATOM 430 CZ ARG A 29 4.298 -17.055 -0.076 1.00 0.00 C ATOM 431 NH1 ARG A 29 5.454 -17.105 -0.692 1.00 0.00 N ATOM 432 NH2 ARG A 29 3.746 -18.144 0.356 1.00 0.00 N ATOM 0 H ARG A 29 5.044 -11.766 -4.450 1.00 0.00 H new ATOM 0 HA ARG A 29 3.938 -14.356 -4.470 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.365 -13.495 -2.642 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.084 -12.402 -2.157 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.531 -14.296 -1.813 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.715 -15.426 -2.440 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.276 -14.686 -0.533 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.918 -13.805 0.138 1.00 0.00 H new ATOM 0 HE ARG A 29 2.806 -15.860 0.626 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.878 -16.249 -1.050 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.929 -17.999 -0.813 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.837 -18.107 0.817 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.220 -19.039 0.235 1.00 0.00 H new ATOM 446 N LEU A 30 1.880 -11.814 -4.075 1.00 0.00 N ATOM 447 CA LEU A 30 0.478 -11.400 -4.054 1.00 0.00 C ATOM 448 C LEU A 30 -0.249 -12.025 -5.227 1.00 0.00 C ATOM 449 O LEU A 30 -1.465 -12.239 -5.181 1.00 0.00 O ATOM 450 CB LEU A 30 0.379 -9.862 -4.156 1.00 0.00 C ATOM 451 CG LEU A 30 -0.139 -9.251 -2.837 1.00 0.00 C ATOM 452 CD1 LEU A 30 -1.605 -9.617 -2.632 1.00 0.00 C ATOM 453 CD2 LEU A 30 0.689 -9.752 -1.650 1.00 0.00 C ATOM 0 H LEU A 30 2.544 -11.040 -4.083 1.00 0.00 H new ATOM 0 HA LEU A 30 0.024 -11.728 -3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.358 -9.446 -4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.289 -9.591 -4.973 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.043 -8.167 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.962 -9.181 -1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.196 -9.230 -3.462 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.707 -10.701 -2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.309 -9.310 -0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.617 -10.838 -1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.732 -9.465 -1.787 1.00 0.00 H new ATOM 465 N LYS A 31 0.502 -12.335 -6.270 1.00 0.00 N ATOM 466 CA LYS A 31 -0.064 -12.924 -7.466 1.00 0.00 C ATOM 467 C LYS A 31 -0.688 -14.259 -7.095 1.00 0.00 C ATOM 468 O LYS A 31 -1.761 -14.624 -7.590 1.00 0.00 O ATOM 469 CB LYS A 31 1.032 -13.183 -8.501 1.00 0.00 C ATOM 470 CG LYS A 31 1.859 -11.909 -8.765 1.00 0.00 C ATOM 471 CD LYS A 31 0.984 -10.746 -9.229 1.00 0.00 C ATOM 472 CE LYS A 31 1.857 -9.740 -9.992 1.00 0.00 C ATOM 473 NZ LYS A 31 2.947 -9.262 -9.110 1.00 0.00 N ATOM 0 H LYS A 31 1.510 -12.187 -6.310 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.805 -12.242 -7.884 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.688 -13.979 -8.149 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.583 -13.528 -9.432 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.388 -11.625 -7.855 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.616 -12.118 -9.521 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.181 -11.111 -9.870 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.514 -10.263 -8.372 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.275 -10.208 -10.883 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.251 -8.898 -10.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.885 -8.229 -9.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.857 -9.707 -8.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.866 -9.514 -9.526 1.00 0.00 H new ATOM 487 N ALA A 32 -0.012 -14.971 -6.192 1.00 0.00 N ATOM 488 CA ALA A 32 -0.468 -16.268 -5.718 1.00 0.00 C ATOM 489 C ALA A 32 -1.817 -16.152 -5.041 1.00 0.00 C ATOM 490 O ALA A 32 -2.504 -17.152 -4.825 1.00 0.00 O ATOM 491 CB ALA A 32 0.552 -16.872 -4.746 1.00 0.00 C ATOM 0 H ALA A 32 0.865 -14.661 -5.773 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.568 -16.925 -6.582 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.195 -17.842 -4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.509 -16.997 -5.253 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.678 -16.207 -3.892 1.00 0.00 H new ATOM 497 N GLY A 33 -2.194 -14.940 -4.685 1.00 0.00 N ATOM 498 CA GLY A 33 -3.469 -14.712 -4.029 1.00 0.00 C ATOM 499 C GLY A 33 -3.345 -14.830 -2.522 1.00 0.00 C ATOM 500 O GLY A 33 -4.353 -14.850 -1.813 1.00 0.00 O ATOM 0 H GLY A 33 -1.638 -14.099 -4.838 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.841 -13.721 -4.288 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.201 -15.433 -4.393 1.00 0.00 H new ATOM 504 N GLU A 34 -2.112 -14.822 -2.024 1.00 0.00 N ATOM 505 CA GLU A 34 -1.901 -14.819 -0.586 1.00 0.00 C ATOM 506 C GLU A 34 -2.330 -13.488 -0.011 1.00 0.00 C ATOM 507 O GLU A 34 -2.514 -12.513 -0.751 1.00 0.00 O ATOM 508 CB GLU A 34 -0.450 -15.128 -0.200 1.00 0.00 C ATOM 509 CG GLU A 34 -0.148 -16.613 -0.484 1.00 0.00 C ATOM 510 CD GLU A 34 0.957 -17.135 0.434 1.00 0.00 C ATOM 511 OE1 GLU A 34 1.515 -16.362 1.181 1.00 0.00 O ATOM 512 OE2 GLU A 34 1.221 -18.314 0.389 1.00 0.00 O ATOM 0 H GLU A 34 -1.260 -14.818 -2.585 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.512 -15.617 -0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.231 -14.493 -0.766 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.288 -14.908 0.855 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.052 -17.205 -0.343 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.152 -16.734 -1.525 1.00 0.00 H new ATOM 519 N LYS A 35 -2.590 -13.465 1.276 1.00 0.00 N ATOM 520 CA LYS A 35 -3.108 -12.281 1.898 1.00 0.00 C ATOM 521 C LYS A 35 -2.085 -11.151 1.817 1.00 0.00 C ATOM 522 O LYS A 35 -0.922 -11.301 2.227 1.00 0.00 O ATOM 523 CB LYS A 35 -3.491 -12.582 3.353 1.00 0.00 C ATOM 524 CG LYS A 35 -4.311 -11.424 3.933 1.00 0.00 C ATOM 525 CD LYS A 35 -4.795 -11.797 5.338 1.00 0.00 C ATOM 526 CE LYS A 35 -5.611 -10.637 5.932 1.00 0.00 C ATOM 527 NZ LYS A 35 -6.587 -10.133 4.923 1.00 0.00 N ATOM 0 H LYS A 35 -2.450 -14.254 1.907 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.005 -11.958 1.369 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.067 -13.506 3.402 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.592 -12.735 3.950 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.705 -10.519 3.974 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.163 -11.208 3.288 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.406 -12.699 5.295 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.942 -12.020 5.979 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.139 -10.972 6.825 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.944 -9.832 6.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.379 -9.666 5.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.116 -9.451 4.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.947 -10.930 4.360 1.00 0.00 H new ATOM 541 N PHE A 36 -2.540 -10.006 1.340 1.00 0.00 N ATOM 542 CA PHE A 36 -1.695 -8.833 1.221 1.00 0.00 C ATOM 543 C PHE A 36 -1.123 -8.533 2.587 1.00 0.00 C ATOM 544 O PHE A 36 0.078 -8.307 2.745 1.00 0.00 O ATOM 545 CB PHE A 36 -2.538 -7.643 0.734 1.00 0.00 C ATOM 546 CG PHE A 36 -1.665 -6.433 0.490 1.00 0.00 C ATOM 547 CD1 PHE A 36 -1.080 -6.231 -0.767 1.00 0.00 C ATOM 548 CD2 PHE A 36 -1.438 -5.516 1.517 1.00 0.00 C ATOM 549 CE1 PHE A 36 -0.284 -5.106 -0.998 1.00 0.00 C ATOM 550 CE2 PHE A 36 -0.637 -4.394 1.287 1.00 0.00 C ATOM 551 CZ PHE A 36 -0.060 -4.191 0.030 1.00 0.00 C ATOM 0 H PHE A 36 -3.500 -9.864 1.026 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.891 -9.008 0.506 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.060 -7.912 -0.184 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.301 -7.404 1.475 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.245 -6.946 -1.559 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.881 -5.673 2.489 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.157 -4.946 -1.971 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.464 -3.683 2.081 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.560 -3.324 -0.145 1.00 0.00 H new ATOM 561 N GLY A 37 -1.985 -8.612 3.582 1.00 0.00 N ATOM 562 CA GLY A 37 -1.583 -8.407 4.957 1.00 0.00 C ATOM 563 C GLY A 37 -0.537 -9.416 5.388 1.00 0.00 C ATOM 564 O GLY A 37 0.395 -9.072 6.120 1.00 0.00 O ATOM 0 H GLY A 37 -2.976 -8.819 3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.187 -7.398 5.074 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.454 -8.485 5.607 1.00 0.00 H new ATOM 568 N LYS A 38 -0.627 -10.635 4.869 1.00 0.00 N ATOM 569 CA LYS A 38 0.388 -11.629 5.163 1.00 0.00 C ATOM 570 C LYS A 38 1.733 -11.131 4.699 1.00 0.00 C ATOM 571 O LYS A 38 2.690 -11.088 5.480 1.00 0.00 O ATOM 572 CB LYS A 38 0.060 -12.967 4.490 1.00 0.00 C ATOM 573 CG LYS A 38 1.179 -13.976 4.764 1.00 0.00 C ATOM 574 CD LYS A 38 0.850 -15.302 4.077 1.00 0.00 C ATOM 575 CE LYS A 38 2.044 -16.247 4.206 1.00 0.00 C ATOM 576 NZ LYS A 38 2.634 -16.117 5.556 1.00 0.00 N ATOM 0 H LYS A 38 -1.378 -10.951 4.255 1.00 0.00 H new ATOM 0 HA LYS A 38 0.412 -11.791 6.241 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.888 -13.351 4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.058 -12.824 3.416 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.130 -13.590 4.396 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.291 -14.128 5.837 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.034 -15.750 4.531 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.618 -15.132 3.026 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.727 -17.276 4.034 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.791 -16.012 3.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.202 -16.961 5.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.241 -15.273 5.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.874 -16.025 6.260 1.00 0.00 H new ATOM 590 N LEU A 39 1.783 -10.647 3.470 1.00 0.00 N ATOM 591 CA LEU A 39 3.012 -10.063 2.951 1.00 0.00 C ATOM 592 C LEU A 39 3.390 -8.851 3.767 1.00 0.00 C ATOM 593 O LEU A 39 4.573 -8.637 4.073 1.00 0.00 O ATOM 594 CB LEU A 39 2.875 -9.667 1.474 1.00 0.00 C ATOM 595 CG LEU A 39 3.084 -10.898 0.564 1.00 0.00 C ATOM 596 CD1 LEU A 39 4.476 -11.496 0.796 1.00 0.00 C ATOM 597 CD2 LEU A 39 2.016 -11.961 0.856 1.00 0.00 C ATOM 0 H LEU A 39 0.998 -10.645 2.818 1.00 0.00 H new ATOM 0 HA LEU A 39 3.794 -10.819 3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.889 -9.239 1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.606 -8.897 1.228 1.00 0.00 H new ATOM 0 HG LEU A 39 2.998 -10.579 -0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.612 -12.363 0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.236 -10.749 0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.572 -11.802 1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.174 -12.823 0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.088 -12.272 1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.027 -11.544 0.669 1.00 0.00 H new ATOM 609 N ALA A 40 2.384 -8.047 4.112 1.00 0.00 N ATOM 610 CA ALA A 40 2.634 -6.846 4.877 1.00 0.00 C ATOM 611 C ALA A 40 3.329 -7.182 6.174 1.00 0.00 C ATOM 612 O ALA A 40 4.376 -6.612 6.491 1.00 0.00 O ATOM 613 CB ALA A 40 1.338 -6.088 5.159 1.00 0.00 C ATOM 0 H ALA A 40 1.406 -8.210 3.874 1.00 0.00 H new ATOM 0 HA ALA A 40 3.282 -6.202 4.282 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.560 -5.190 5.736 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.868 -5.807 4.216 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.660 -6.725 5.726 1.00 0.00 H new ATOM 619 N LYS A 41 2.785 -8.142 6.886 1.00 0.00 N ATOM 620 CA LYS A 41 3.381 -8.602 8.130 1.00 0.00 C ATOM 621 C LYS A 41 4.747 -9.229 7.879 1.00 0.00 C ATOM 622 O LYS A 41 5.623 -9.194 8.746 1.00 0.00 O ATOM 623 CB LYS A 41 2.467 -9.607 8.830 1.00 0.00 C ATOM 624 CG LYS A 41 1.186 -8.908 9.303 1.00 0.00 C ATOM 625 CD LYS A 41 0.290 -9.929 10.015 1.00 0.00 C ATOM 626 CE LYS A 41 -1.062 -9.295 10.355 1.00 0.00 C ATOM 627 NZ LYS A 41 -0.882 -8.074 11.188 1.00 0.00 N ATOM 0 H LYS A 41 1.925 -8.625 6.627 1.00 0.00 H new ATOM 0 HA LYS A 41 3.510 -7.735 8.778 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.217 -10.420 8.149 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.984 -10.051 9.680 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.432 -8.089 9.978 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.659 -8.473 8.453 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.142 -10.801 9.378 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.776 -10.278 10.926 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.589 -9.039 9.436 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.682 -10.016 10.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.812 -7.662 11.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.399 -8.326 12.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.309 -7.380 10.667 1.00 0.00 H new ATOM 641 N GLU A 42 4.859 -9.946 6.772 1.00 0.00 N ATOM 642 CA GLU A 42 6.058 -10.719 6.492 1.00 0.00 C ATOM 643 C GLU A 42 7.248 -9.812 6.147 1.00 0.00 C ATOM 644 O GLU A 42 8.362 -10.036 6.631 1.00 0.00 O ATOM 645 CB GLU A 42 5.793 -11.681 5.313 1.00 0.00 C ATOM 646 CG GLU A 42 6.291 -13.091 5.637 1.00 0.00 C ATOM 647 CD GLU A 42 5.182 -13.908 6.268 1.00 0.00 C ATOM 648 OE1 GLU A 42 4.366 -14.424 5.536 1.00 0.00 O ATOM 649 OE2 GLU A 42 5.152 -13.999 7.470 1.00 0.00 O ATOM 0 H GLU A 42 4.136 -10.009 6.055 1.00 0.00 H new ATOM 0 HA GLU A 42 6.308 -11.283 7.390 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.726 -11.709 5.094 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.292 -11.311 4.417 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.639 -13.579 4.727 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.143 -13.036 6.315 1.00 0.00 H new ATOM 656 N LEU A 43 7.047 -8.884 5.219 1.00 0.00 N ATOM 657 CA LEU A 43 8.155 -8.050 4.725 1.00 0.00 C ATOM 658 C LEU A 43 8.225 -6.690 5.373 1.00 0.00 C ATOM 659 O LEU A 43 9.314 -6.125 5.528 1.00 0.00 O ATOM 660 CB LEU A 43 8.020 -7.826 3.230 1.00 0.00 C ATOM 661 CG LEU A 43 8.569 -9.015 2.466 1.00 0.00 C ATOM 662 CD1 LEU A 43 7.500 -10.108 2.402 1.00 0.00 C ATOM 663 CD2 LEU A 43 8.941 -8.557 1.057 1.00 0.00 C ATOM 0 H LEU A 43 6.142 -8.685 4.793 1.00 0.00 H new ATOM 0 HA LEU A 43 9.062 -8.601 4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.972 -7.672 2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.555 -6.921 2.941 1.00 0.00 H new ATOM 0 HG LEU A 43 9.453 -9.415 2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.889 -10.966 1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.232 -10.415 3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.616 -9.723 1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.338 -9.401 0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.055 -8.170 0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.696 -7.773 1.117 1.00 0.00 H new ATOM 675 N SER A 44 7.090 -6.049 5.406 1.00 0.00 N ATOM 676 CA SER A 44 7.038 -4.633 5.640 1.00 0.00 C ATOM 677 C SER A 44 7.730 -4.237 6.925 1.00 0.00 C ATOM 678 O SER A 44 7.599 -4.918 7.945 1.00 0.00 O ATOM 679 CB SER A 44 5.608 -4.192 5.680 1.00 0.00 C ATOM 680 OG SER A 44 4.871 -4.955 4.752 1.00 0.00 O ATOM 0 H SER A 44 6.180 -6.490 5.272 1.00 0.00 H new ATOM 0 HA SER A 44 7.566 -4.141 4.823 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.201 -4.322 6.683 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.533 -3.131 5.440 1.00 0.00 H new ATOM 0 HG SER A 44 4.016 -4.512 4.569 1.00 0.00 H new ATOM 686 N ILE A 45 8.409 -3.102 6.890 1.00 0.00 N ATOM 687 CA ILE A 45 9.063 -2.581 8.078 1.00 0.00 C ATOM 688 C ILE A 45 8.154 -1.587 8.787 1.00 0.00 C ATOM 689 O ILE A 45 8.370 -1.251 9.954 1.00 0.00 O ATOM 690 CB ILE A 45 10.410 -1.937 7.722 1.00 0.00 C ATOM 691 CG1 ILE A 45 10.203 -0.804 6.715 1.00 0.00 C ATOM 692 CG2 ILE A 45 11.340 -2.991 7.117 1.00 0.00 C ATOM 693 CD1 ILE A 45 11.511 -0.038 6.530 1.00 0.00 C ATOM 0 H ILE A 45 8.521 -2.526 6.055 1.00 0.00 H new ATOM 0 HA ILE A 45 9.260 -3.411 8.757 1.00 0.00 H new ATOM 0 HB ILE A 45 10.857 -1.531 8.629 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.869 -1.209 5.760 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.422 -0.130 7.066 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.296 -2.531 6.865 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.501 -3.791 7.839 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.886 -3.402 6.215 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.362 0.769 5.812 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.826 0.380 7.486 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.280 -0.716 6.159 1.00 0.00 H new ATOM 705 N ASP A 46 7.085 -1.181 8.107 1.00 0.00 N ATOM 706 CA ASP A 46 6.114 -0.280 8.715 1.00 0.00 C ATOM 707 C ASP A 46 5.244 -1.059 9.667 1.00 0.00 C ATOM 708 O ASP A 46 4.432 -1.892 9.246 1.00 0.00 O ATOM 709 CB ASP A 46 5.238 0.406 7.639 1.00 0.00 C ATOM 710 CG ASP A 46 4.040 1.122 8.271 1.00 0.00 C ATOM 711 OD1 ASP A 46 4.125 1.491 9.423 1.00 0.00 O ATOM 712 OD2 ASP A 46 3.049 1.292 7.589 1.00 0.00 O ATOM 0 H ASP A 46 6.872 -1.457 7.149 1.00 0.00 H new ATOM 0 HA ASP A 46 6.651 0.499 9.256 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.839 1.123 7.080 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.885 -0.339 6.926 1.00 0.00 H new ATOM 717 N GLY A 47 5.392 -0.781 10.945 1.00 0.00 N ATOM 718 CA GLY A 47 4.610 -1.467 11.942 1.00 0.00 C ATOM 719 C GLY A 47 3.155 -1.335 11.598 1.00 0.00 C ATOM 720 O GLY A 47 2.418 -2.323 11.586 1.00 0.00 O ATOM 0 H GLY A 47 6.044 -0.088 11.313 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.893 -2.519 11.984 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.803 -1.045 12.928 1.00 0.00 H new ATOM 724 N GLY A 48 2.775 -0.156 11.144 1.00 0.00 N ATOM 725 CA GLY A 48 1.419 0.068 10.702 1.00 0.00 C ATOM 726 C GLY A 48 1.040 -0.928 9.622 1.00 0.00 C ATOM 727 O GLY A 48 0.018 -1.612 9.732 1.00 0.00 O ATOM 0 H GLY A 48 3.387 0.657 11.073 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.735 -0.024 11.546 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.318 1.084 10.320 1.00 0.00 H new ATOM 731 N SER A 49 1.895 -1.090 8.622 1.00 0.00 N ATOM 732 CA SER A 49 1.614 -2.060 7.579 1.00 0.00 C ATOM 733 C SER A 49 1.545 -3.459 8.163 1.00 0.00 C ATOM 734 O SER A 49 0.743 -4.282 7.730 1.00 0.00 O ATOM 735 CB SER A 49 2.658 -2.003 6.448 1.00 0.00 C ATOM 736 OG SER A 49 3.964 -2.266 6.959 1.00 0.00 O ATOM 0 H SER A 49 2.769 -0.575 8.513 1.00 0.00 H new ATOM 0 HA SER A 49 0.646 -1.806 7.147 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.409 -2.733 5.678 1.00 0.00 H new ATOM 0 HB3 SER A 49 2.637 -1.021 5.975 1.00 0.00 H new ATOM 0 HG SER A 49 3.936 -2.277 7.939 1.00 0.00 H new ATOM 742 N ALA A 50 2.342 -3.710 9.186 1.00 0.00 N ATOM 743 CA ALA A 50 2.329 -5.006 9.833 1.00 0.00 C ATOM 744 C ALA A 50 1.082 -5.156 10.692 1.00 0.00 C ATOM 745 O ALA A 50 0.382 -6.165 10.622 1.00 0.00 O ATOM 746 CB ALA A 50 3.589 -5.188 10.683 1.00 0.00 C ATOM 0 H ALA A 50 3.000 -3.039 9.583 1.00 0.00 H new ATOM 0 HA ALA A 50 2.315 -5.779 9.065 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.566 -6.166 11.163 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.471 -5.117 10.046 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.629 -4.410 11.446 1.00 0.00 H new ATOM 752 N LYS A 51 0.819 -4.141 11.496 1.00 0.00 N ATOM 753 CA LYS A 51 -0.323 -4.117 12.398 1.00 0.00 C ATOM 754 C LYS A 51 -1.636 -4.098 11.656 1.00 0.00 C ATOM 755 O LYS A 51 -2.626 -4.705 12.089 1.00 0.00 O ATOM 756 CB LYS A 51 -0.210 -2.968 13.368 1.00 0.00 C ATOM 757 CG LYS A 51 0.971 -3.288 14.264 1.00 0.00 C ATOM 758 CD LYS A 51 1.171 -2.225 15.310 1.00 0.00 C ATOM 759 CE LYS A 51 2.431 -2.566 16.097 1.00 0.00 C ATOM 760 NZ LYS A 51 2.638 -4.044 16.136 1.00 0.00 N ATOM 0 H LYS A 51 1.397 -3.302 11.543 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.310 -5.044 12.971 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.055 -2.027 12.841 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.124 -2.860 13.952 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.812 -4.251 14.748 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.873 -3.380 13.660 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.268 -1.245 14.843 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.308 -2.178 15.975 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.295 -2.084 15.639 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.350 -2.177 17.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.361 -4.275 16.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.744 -4.513 16.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.954 -4.375 15.202 1.00 0.00 H new ATOM 774 N ARG A 52 -1.645 -3.399 10.542 1.00 0.00 N ATOM 775 CA ARG A 52 -2.834 -3.271 9.721 1.00 0.00 C ATOM 776 C ARG A 52 -2.821 -4.309 8.631 1.00 0.00 C ATOM 777 O ARG A 52 -3.674 -4.299 7.740 1.00 0.00 O ATOM 778 CB ARG A 52 -2.881 -1.883 9.084 1.00 0.00 C ATOM 779 CG ARG A 52 -3.225 -0.814 10.131 1.00 0.00 C ATOM 780 CD ARG A 52 -4.701 -0.955 10.546 1.00 0.00 C ATOM 781 NE ARG A 52 -5.553 -1.125 9.361 1.00 0.00 N ATOM 782 CZ ARG A 52 -6.882 -1.093 9.426 1.00 0.00 C ATOM 783 NH1 ARG A 52 -7.476 -0.863 10.560 1.00 0.00 N ATOM 784 NH2 ARG A 52 -7.580 -1.294 8.349 1.00 0.00 N ATOM 0 H ARG A 52 -0.831 -2.903 10.178 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.710 -3.415 10.353 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.918 -1.655 8.627 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.623 -1.869 8.286 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.580 -0.923 11.003 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.045 0.181 9.723 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.818 -1.810 11.211 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.014 -0.072 11.103 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.109 -1.273 8.455 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.923 -0.706 11.403 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.495 -0.839 10.607 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.109 -1.475 7.462 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.599 -1.271 8.390 1.00 0.00 H new ATOM 798 N ASP A 53 -1.859 -5.215 8.702 1.00 0.00 N ATOM 799 CA ASP A 53 -1.751 -6.268 7.720 1.00 0.00 C ATOM 800 C ASP A 53 -1.802 -5.627 6.350 1.00 0.00 C ATOM 801 O ASP A 53 -2.656 -5.953 5.524 1.00 0.00 O ATOM 802 CB ASP A 53 -2.895 -7.306 7.878 1.00 0.00 C ATOM 803 CG ASP A 53 -3.569 -7.199 9.248 1.00 0.00 C ATOM 804 OD1 ASP A 53 -2.869 -7.119 10.240 1.00 0.00 O ATOM 805 OD2 ASP A 53 -4.781 -7.199 9.294 1.00 0.00 O ATOM 0 H ASP A 53 -1.145 -5.238 9.430 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.813 -6.806 7.857 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.637 -7.153 7.094 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.495 -8.311 7.746 1.00 0.00 H new ATOM 810 N GLY A 54 -1.014 -4.589 6.193 1.00 0.00 N ATOM 811 CA GLY A 54 -1.022 -3.770 4.996 1.00 0.00 C ATOM 812 C GLY A 54 -2.329 -3.011 4.867 1.00 0.00 C ATOM 813 O GLY A 54 -2.345 -1.857 4.450 1.00 0.00 O ATOM 0 H GLY A 54 -0.342 -4.284 6.897 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.190 -3.066 5.027 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.875 -4.400 4.119 1.00 0.00 H new ATOM 817 N SER A 55 -3.419 -3.688 5.199 1.00 0.00 N ATOM 818 CA SER A 55 -4.768 -3.156 5.107 1.00 0.00 C ATOM 819 C SER A 55 -4.912 -1.840 5.876 1.00 0.00 C ATOM 820 O SER A 55 -5.469 -1.798 6.982 1.00 0.00 O ATOM 821 CB SER A 55 -5.754 -4.198 5.655 1.00 0.00 C ATOM 822 OG SER A 55 -5.231 -5.515 5.426 1.00 0.00 O ATOM 0 H SER A 55 -3.387 -4.646 5.548 1.00 0.00 H new ATOM 0 HA SER A 55 -4.986 -2.946 4.060 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.914 -4.038 6.721 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.723 -4.090 5.168 1.00 0.00 H new ATOM 0 HG SER A 55 -5.858 -6.182 5.777 1.00 0.00 H new ATOM 828 N LEU A 56 -4.524 -0.760 5.237 1.00 0.00 N ATOM 829 CA LEU A 56 -4.713 0.559 5.795 1.00 0.00 C ATOM 830 C LEU A 56 -6.195 0.822 5.931 1.00 0.00 C ATOM 831 O LEU A 56 -6.656 1.453 6.885 1.00 0.00 O ATOM 832 CB LEU A 56 -4.075 1.619 4.892 1.00 0.00 C ATOM 833 CG LEU A 56 -2.547 1.430 4.863 1.00 0.00 C ATOM 834 CD1 LEU A 56 -1.926 2.445 3.912 1.00 0.00 C ATOM 835 CD2 LEU A 56 -1.958 1.606 6.268 1.00 0.00 C ATOM 0 H LEU A 56 -4.072 -0.770 4.323 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.235 0.611 6.773 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.479 1.541 3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.320 2.616 5.257 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.323 0.421 4.516 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.844 2.311 3.892 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.328 2.298 2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.160 3.454 4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.877 1.469 6.229 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.184 2.607 6.634 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.393 0.867 6.940 1.00 0.00 H new ATOM 847 N GLY A 57 -6.936 0.365 4.944 1.00 0.00 N ATOM 848 CA GLY A 57 -8.367 0.565 4.913 1.00 0.00 C ATOM 849 C GLY A 57 -8.686 1.803 4.127 1.00 0.00 C ATOM 850 O GLY A 57 -7.942 2.170 3.220 1.00 0.00 O ATOM 0 H GLY A 57 -6.566 -0.152 4.146 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.855 -0.299 4.463 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.753 0.657 5.928 1.00 0.00 H new ATOM 854 N TYR A 58 -9.797 2.433 4.455 1.00 0.00 N ATOM 855 CA TYR A 58 -10.205 3.640 3.767 1.00 0.00 C ATOM 856 C TYR A 58 -9.537 4.828 4.413 1.00 0.00 C ATOM 857 O TYR A 58 -9.580 4.973 5.644 1.00 0.00 O ATOM 858 CB TYR A 58 -11.742 3.840 3.833 1.00 0.00 C ATOM 859 CG TYR A 58 -12.430 2.684 4.559 1.00 0.00 C ATOM 860 CD1 TYR A 58 -12.202 1.352 4.169 1.00 0.00 C ATOM 861 CD2 TYR A 58 -13.297 2.955 5.624 1.00 0.00 C ATOM 862 CE1 TYR A 58 -12.834 0.304 4.850 1.00 0.00 C ATOM 863 CE2 TYR A 58 -13.927 1.907 6.301 1.00 0.00 C ATOM 864 CZ TYR A 58 -13.700 0.584 5.914 1.00 0.00 C ATOM 865 OH TYR A 58 -14.324 -0.446 6.590 1.00 0.00 O ATOM 0 H TYR A 58 -10.432 2.129 5.193 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.911 3.548 2.721 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.966 4.776 4.344 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.142 3.925 2.823 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -11.539 1.137 3.344 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.480 3.976 5.923 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -12.654 -0.719 4.555 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -14.591 2.121 7.126 1.00 0.00 H new ATOM 0 HH TYR A 58 -14.889 -0.076 7.300 1.00 0.00 H new ATOM 875 N PHE A 59 -8.985 5.703 3.609 1.00 0.00 N ATOM 876 CA PHE A 59 -8.393 6.931 4.122 1.00 0.00 C ATOM 877 C PHE A 59 -8.576 8.054 3.127 1.00 0.00 C ATOM 878 O PHE A 59 -8.728 7.810 1.941 1.00 0.00 O ATOM 879 CB PHE A 59 -6.909 6.724 4.462 1.00 0.00 C ATOM 880 CG PHE A 59 -6.133 6.326 3.225 1.00 0.00 C ATOM 881 CD1 PHE A 59 -6.037 4.977 2.868 1.00 0.00 C ATOM 882 CD2 PHE A 59 -5.501 7.300 2.445 1.00 0.00 C ATOM 883 CE1 PHE A 59 -5.310 4.604 1.738 1.00 0.00 C ATOM 884 CE2 PHE A 59 -4.777 6.922 1.316 1.00 0.00 C ATOM 885 CZ PHE A 59 -4.681 5.576 0.959 1.00 0.00 C ATOM 0 H PHE A 59 -8.929 5.595 2.596 1.00 0.00 H new ATOM 0 HA PHE A 59 -8.905 7.205 5.044 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.494 7.641 4.879 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.809 5.952 5.225 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -6.526 4.224 3.468 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.574 8.343 2.717 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.234 3.562 1.465 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.288 7.674 0.714 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.121 5.287 0.082 1.00 0.00 H new ATOM 895 N GLY A 60 -8.636 9.270 3.615 1.00 0.00 N ATOM 896 CA GLY A 60 -8.864 10.417 2.752 1.00 0.00 C ATOM 897 C GLY A 60 -7.555 10.969 2.205 1.00 0.00 C ATOM 898 O GLY A 60 -6.474 10.501 2.563 1.00 0.00 O ATOM 0 H GLY A 60 -8.531 9.496 4.604 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.513 10.129 1.925 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.385 11.196 3.309 1.00 0.00 H new ATOM 902 N ARG A 61 -7.666 11.999 1.381 1.00 0.00 N ATOM 903 CA ARG A 61 -6.519 12.655 0.787 1.00 0.00 C ATOM 904 C ARG A 61 -5.790 13.492 1.813 1.00 0.00 C ATOM 905 O ARG A 61 -6.407 14.044 2.739 1.00 0.00 O ATOM 906 CB ARG A 61 -6.978 13.582 -0.348 1.00 0.00 C ATOM 907 CG ARG A 61 -7.447 12.774 -1.559 1.00 0.00 C ATOM 908 CD ARG A 61 -8.047 13.741 -2.581 1.00 0.00 C ATOM 909 NE ARG A 61 -7.079 14.789 -2.917 1.00 0.00 N ATOM 910 CZ ARG A 61 -6.507 14.896 -4.119 1.00 0.00 C ATOM 911 NH1 ARG A 61 -6.782 14.037 -5.060 1.00 0.00 N ATOM 912 NH2 ARG A 61 -5.674 15.865 -4.345 1.00 0.00 N ATOM 0 H ARG A 61 -8.561 12.403 1.106 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.852 11.883 0.404 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.788 14.220 0.004 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.159 14.239 -0.640 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.611 12.229 -1.998 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.188 12.033 -1.257 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.333 13.198 -3.482 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.955 14.190 -2.178 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.830 15.469 -2.199 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.438 13.277 -4.881 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.341 14.125 -5.976 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.461 16.537 -3.608 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.232 15.955 -5.260 1.00 0.00 H new ATOM 926 N GLY A 62 -4.509 13.662 1.592 1.00 0.00 N ATOM 927 CA GLY A 62 -3.689 14.521 2.422 1.00 0.00 C ATOM 928 C GLY A 62 -3.241 13.814 3.683 1.00 0.00 C ATOM 929 O GLY A 62 -2.673 14.442 4.587 1.00 0.00 O ATOM 0 H GLY A 62 -4.002 13.210 0.831 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.816 14.848 1.857 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.251 15.417 2.686 1.00 0.00 H new ATOM 933 N LYS A 63 -3.478 12.513 3.746 1.00 0.00 N ATOM 934 CA LYS A 63 -3.066 11.727 4.894 1.00 0.00 C ATOM 935 C LYS A 63 -1.795 10.956 4.617 1.00 0.00 C ATOM 936 O LYS A 63 -1.145 10.482 5.554 1.00 0.00 O ATOM 937 CB LYS A 63 -4.174 10.768 5.338 1.00 0.00 C ATOM 938 CG LYS A 63 -5.137 11.475 6.304 1.00 0.00 C ATOM 939 CD LYS A 63 -4.394 11.974 7.574 1.00 0.00 C ATOM 940 CE LYS A 63 -3.399 10.913 8.103 1.00 0.00 C ATOM 941 NZ LYS A 63 -2.003 11.273 7.724 1.00 0.00 N ATOM 0 H LYS A 63 -3.953 11.982 3.016 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.868 12.430 5.703 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.722 10.407 4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.736 9.896 5.824 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.607 12.319 5.800 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.935 10.791 6.592 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.858 12.895 7.345 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.120 12.213 8.351 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.480 10.838 9.187 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.652 9.934 7.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.354 11.002 8.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.739 10.770 6.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.940 12.299 7.563 1.00 0.00 H new ATOM 955 N MET A 64 -1.478 10.778 3.353 1.00 0.00 N ATOM 956 CA MET A 64 -0.304 10.013 2.953 1.00 0.00 C ATOM 957 C MET A 64 0.542 10.861 2.024 1.00 0.00 C ATOM 958 O MET A 64 0.045 11.838 1.457 1.00 0.00 O ATOM 959 CB MET A 64 -0.711 8.723 2.225 1.00 0.00 C ATOM 960 CG MET A 64 -2.149 8.329 2.596 1.00 0.00 C ATOM 961 SD MET A 64 -2.238 7.863 4.344 1.00 0.00 S ATOM 962 CE MET A 64 -2.435 6.083 4.094 1.00 0.00 C ATOM 0 H MET A 64 -2.019 11.154 2.574 1.00 0.00 H new ATOM 0 HA MET A 64 0.260 9.744 3.846 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.633 8.866 1.147 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.027 7.917 2.490 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.824 9.162 2.399 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.478 7.497 1.973 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.740 5.616 5.030 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.196 5.904 3.334 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.488 5.655 3.767 1.00 0.00 H new ATOM 972 N VAL A 65 1.804 10.510 1.855 1.00 0.00 N ATOM 973 CA VAL A 65 2.641 11.251 0.927 1.00 0.00 C ATOM 974 C VAL A 65 2.000 11.211 -0.470 1.00 0.00 C ATOM 975 O VAL A 65 1.407 10.193 -0.865 1.00 0.00 O ATOM 976 CB VAL A 65 4.076 10.688 0.897 1.00 0.00 C ATOM 977 CG1 VAL A 65 4.722 10.875 2.273 1.00 0.00 C ATOM 978 CG2 VAL A 65 4.058 9.194 0.557 1.00 0.00 C ATOM 0 H VAL A 65 2.264 9.736 2.335 1.00 0.00 H new ATOM 0 HA VAL A 65 2.713 12.287 1.259 1.00 0.00 H new ATOM 0 HB VAL A 65 4.645 11.221 0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.737 10.478 2.255 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.752 11.936 2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.138 10.344 3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.079 8.812 0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.482 8.656 1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.600 9.049 -0.421 1.00 0.00 H new ATOM 988 N LYS A 66 1.994 12.347 -1.149 1.00 0.00 N ATOM 989 CA LYS A 66 1.280 12.473 -2.413 1.00 0.00 C ATOM 990 C LYS A 66 1.507 11.285 -3.331 1.00 0.00 C ATOM 991 O LYS A 66 0.554 10.762 -3.885 1.00 0.00 O ATOM 992 CB LYS A 66 1.611 13.781 -3.140 1.00 0.00 C ATOM 993 CG LYS A 66 0.402 14.199 -4.004 1.00 0.00 C ATOM 994 CD LYS A 66 0.876 14.951 -5.264 1.00 0.00 C ATOM 995 CE LYS A 66 0.112 14.437 -6.492 1.00 0.00 C ATOM 996 NZ LYS A 66 0.738 13.179 -6.976 1.00 0.00 N ATOM 0 H LYS A 66 2.474 13.195 -0.848 1.00 0.00 H new ATOM 0 HA LYS A 66 0.222 12.492 -2.151 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.846 14.563 -2.418 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.493 13.650 -3.766 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.169 13.317 -4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.266 14.835 -3.423 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.712 16.022 -5.143 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.947 14.807 -5.404 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.933 14.260 -6.236 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.124 15.188 -7.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.076 12.682 -7.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.610 13.403 -7.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.967 12.571 -6.164 1.00 0.00 H new ATOM 1010 N PRO A 67 2.728 10.843 -3.514 1.00 0.00 N ATOM 1011 CA PRO A 67 2.959 9.677 -4.420 1.00 0.00 C ATOM 1012 C PRO A 67 2.209 8.448 -3.937 1.00 0.00 C ATOM 1013 O PRO A 67 1.680 7.675 -4.736 1.00 0.00 O ATOM 1014 CB PRO A 67 4.479 9.445 -4.358 1.00 0.00 C ATOM 1015 CG PRO A 67 4.922 10.127 -3.109 1.00 0.00 C ATOM 1016 CD PRO A 67 4.009 11.343 -2.969 1.00 0.00 C ATOM 0 HA PRO A 67 2.603 9.866 -5.433 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.715 8.381 -4.332 1.00 0.00 H new ATOM 0 HB3 PRO A 67 4.978 9.861 -5.233 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.832 9.466 -2.247 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.968 10.426 -3.174 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.912 11.661 -1.931 1.00 0.00 H new ATOM 0 HD3 PRO A 67 4.383 12.199 -3.531 1.00 0.00 H new ATOM 1024 N PHE A 68 2.102 8.321 -2.626 1.00 0.00 N ATOM 1025 CA PHE A 68 1.348 7.227 -2.037 1.00 0.00 C ATOM 1026 C PHE A 68 -0.115 7.332 -2.437 1.00 0.00 C ATOM 1027 O PHE A 68 -0.705 6.371 -2.935 1.00 0.00 O ATOM 1028 CB PHE A 68 1.470 7.269 -0.510 1.00 0.00 C ATOM 1029 CG PHE A 68 0.789 6.070 0.095 1.00 0.00 C ATOM 1030 CD1 PHE A 68 -0.577 6.118 0.401 1.00 0.00 C ATOM 1031 CD2 PHE A 68 1.521 4.909 0.363 1.00 0.00 C ATOM 1032 CE1 PHE A 68 -1.203 5.006 0.971 1.00 0.00 C ATOM 1033 CE2 PHE A 68 0.895 3.802 0.932 1.00 0.00 C ATOM 1034 CZ PHE A 68 -0.470 3.849 1.235 1.00 0.00 C ATOM 0 H PHE A 68 2.525 8.958 -1.951 1.00 0.00 H new ATOM 0 HA PHE A 68 1.753 6.283 -2.402 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.521 7.285 -0.221 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.020 8.185 -0.126 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.146 7.013 0.197 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.574 4.870 0.128 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.256 5.043 1.207 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.464 2.907 1.139 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.956 2.990 1.673 1.00 0.00 H new ATOM 1044 N GLU A 69 -0.689 8.523 -2.251 1.00 0.00 N ATOM 1045 CA GLU A 69 -2.091 8.752 -2.595 1.00 0.00 C ATOM 1046 C GLU A 69 -2.295 8.690 -4.101 1.00 0.00 C ATOM 1047 O GLU A 69 -3.224 8.036 -4.594 1.00 0.00 O ATOM 1048 CB GLU A 69 -2.579 10.105 -2.038 1.00 0.00 C ATOM 1049 CG GLU A 69 -2.658 10.018 -0.501 1.00 0.00 C ATOM 1050 CD GLU A 69 -3.069 11.350 0.128 1.00 0.00 C ATOM 1051 OE1 GLU A 69 -3.398 12.271 -0.605 1.00 0.00 O ATOM 1052 OE2 GLU A 69 -3.050 11.434 1.342 1.00 0.00 O ATOM 0 H GLU A 69 -0.208 9.336 -1.867 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.683 7.960 -2.137 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.897 10.902 -2.335 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.557 10.351 -2.452 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.375 9.247 -0.218 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.689 9.714 -0.105 1.00 0.00 H new ATOM 1059 N ASP A 70 -1.389 9.319 -4.829 1.00 0.00 N ATOM 1060 CA ASP A 70 -1.464 9.351 -6.278 1.00 0.00 C ATOM 1061 C ASP A 70 -1.471 7.935 -6.810 1.00 0.00 C ATOM 1062 O ASP A 70 -2.351 7.552 -7.574 1.00 0.00 O ATOM 1063 CB ASP A 70 -0.252 10.110 -6.855 1.00 0.00 C ATOM 1064 CG ASP A 70 -0.542 10.580 -8.267 1.00 0.00 C ATOM 1065 OD1 ASP A 70 -0.640 9.757 -9.148 1.00 0.00 O ATOM 1066 OD2 ASP A 70 -0.646 11.777 -8.453 1.00 0.00 O ATOM 0 H ASP A 70 -0.589 9.817 -4.437 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.379 9.863 -6.577 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.016 10.966 -6.222 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.624 9.462 -6.854 1.00 0.00 H new ATOM 1071 N ALA A 71 -0.529 7.136 -6.343 1.00 0.00 N ATOM 1072 CA ALA A 71 -0.449 5.746 -6.756 1.00 0.00 C ATOM 1073 C ALA A 71 -1.690 4.980 -6.320 1.00 0.00 C ATOM 1074 O ALA A 71 -2.185 4.112 -7.047 1.00 0.00 O ATOM 1075 CB ALA A 71 0.796 5.085 -6.161 1.00 0.00 C ATOM 0 H ALA A 71 0.190 7.424 -5.679 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.385 5.721 -7.844 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.842 4.044 -6.479 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.687 5.610 -6.506 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.747 5.130 -5.073 1.00 0.00 H new ATOM 1081 N ALA A 72 -2.159 5.268 -5.114 1.00 0.00 N ATOM 1082 CA ALA A 72 -3.303 4.557 -4.556 1.00 0.00 C ATOM 1083 C ALA A 72 -4.569 4.815 -5.363 1.00 0.00 C ATOM 1084 O ALA A 72 -5.325 3.887 -5.646 1.00 0.00 O ATOM 1085 CB ALA A 72 -3.515 4.957 -3.099 1.00 0.00 C ATOM 0 H ALA A 72 -1.768 5.986 -4.504 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.088 3.490 -4.605 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.372 4.419 -2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.625 4.709 -2.520 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.699 6.030 -3.039 1.00 0.00 H new ATOM 1091 N PHE A 73 -4.775 6.061 -5.764 1.00 0.00 N ATOM 1092 CA PHE A 73 -5.951 6.420 -6.566 1.00 0.00 C ATOM 1093 C PHE A 73 -5.917 5.749 -7.930 1.00 0.00 C ATOM 1094 O PHE A 73 -6.955 5.443 -8.517 1.00 0.00 O ATOM 1095 CB PHE A 73 -6.089 7.942 -6.720 1.00 0.00 C ATOM 1096 CG PHE A 73 -6.654 8.536 -5.445 1.00 0.00 C ATOM 1097 CD1 PHE A 73 -7.990 8.296 -5.092 1.00 0.00 C ATOM 1098 CD2 PHE A 73 -5.845 9.310 -4.612 1.00 0.00 C ATOM 1099 CE1 PHE A 73 -8.509 8.836 -3.914 1.00 0.00 C ATOM 1100 CE2 PHE A 73 -6.364 9.850 -3.435 1.00 0.00 C ATOM 1101 CZ PHE A 73 -7.698 9.612 -3.084 1.00 0.00 C ATOM 0 H PHE A 73 -4.152 6.840 -5.553 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.826 6.056 -6.028 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -5.117 8.384 -6.939 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.742 8.174 -7.561 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.617 7.693 -5.732 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.814 9.491 -4.879 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -9.539 8.653 -3.645 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.736 10.452 -2.794 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.099 10.028 -2.172 1.00 0.00 H new ATOM 1111 N ARG A 74 -4.730 5.591 -8.459 1.00 0.00 N ATOM 1112 CA ARG A 74 -4.554 5.025 -9.784 1.00 0.00 C ATOM 1113 C ARG A 74 -5.062 3.586 -9.857 1.00 0.00 C ATOM 1114 O ARG A 74 -5.490 3.130 -10.920 1.00 0.00 O ATOM 1115 CB ARG A 74 -3.079 5.083 -10.198 1.00 0.00 C ATOM 1116 CG ARG A 74 -2.682 6.547 -10.431 1.00 0.00 C ATOM 1117 CD ARG A 74 -1.188 6.641 -10.735 1.00 0.00 C ATOM 1118 NE ARG A 74 -0.883 5.982 -12.006 1.00 0.00 N ATOM 1119 CZ ARG A 74 -0.969 6.635 -13.161 1.00 0.00 C ATOM 1120 NH1 ARG A 74 -1.432 7.858 -13.179 1.00 0.00 N ATOM 1121 NH2 ARG A 74 -0.624 6.047 -14.269 1.00 0.00 N ATOM 0 H ARG A 74 -3.860 5.847 -7.992 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.146 5.623 -10.477 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.453 4.642 -9.422 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.920 4.501 -11.106 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.257 6.961 -11.259 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.920 7.142 -9.549 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.884 7.687 -10.778 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.617 6.177 -9.931 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.599 5.002 -12.006 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.725 8.305 -12.310 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.501 8.364 -14.062 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.287 5.084 -14.252 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.690 6.549 -15.155 1.00 0.00 H new ATOM 1135 N LEU A 75 -4.881 2.832 -8.776 1.00 0.00 N ATOM 1136 CA LEU A 75 -5.195 1.394 -8.784 1.00 0.00 C ATOM 1137 C LEU A 75 -6.575 1.059 -8.208 1.00 0.00 C ATOM 1138 O LEU A 75 -6.783 -0.065 -7.735 1.00 0.00 O ATOM 1139 CB LEU A 75 -4.127 0.577 -8.047 1.00 0.00 C ATOM 1140 CG LEU A 75 -2.740 0.848 -8.643 1.00 0.00 C ATOM 1141 CD1 LEU A 75 -1.704 -0.005 -7.911 1.00 0.00 C ATOM 1142 CD2 LEU A 75 -2.722 0.518 -10.139 1.00 0.00 C ATOM 0 H LEU A 75 -4.522 3.182 -7.888 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.206 1.118 -9.838 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.131 0.833 -6.988 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.359 -0.486 -8.119 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.501 1.905 -8.522 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.716 0.183 -8.330 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.704 0.252 -6.852 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.953 -1.060 -8.028 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.730 0.717 -10.544 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.968 -0.534 -10.283 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.455 1.136 -10.657 1.00 0.00 H new ATOM 1154 N GLN A 76 -7.510 2.009 -8.201 1.00 0.00 N ATOM 1155 CA GLN A 76 -8.841 1.735 -7.614 1.00 0.00 C ATOM 1156 C GLN A 76 -9.390 0.356 -8.024 1.00 0.00 C ATOM 1157 O GLN A 76 -10.190 -0.237 -7.296 1.00 0.00 O ATOM 1158 CB GLN A 76 -9.867 2.829 -7.932 1.00 0.00 C ATOM 1159 CG GLN A 76 -9.514 4.123 -7.178 1.00 0.00 C ATOM 1160 CD GLN A 76 -10.611 5.159 -7.388 1.00 0.00 C ATOM 1161 OE1 GLN A 76 -11.795 4.848 -7.219 1.00 0.00 O ATOM 1162 NE2 GLN A 76 -10.301 6.364 -7.743 1.00 0.00 N ATOM 0 H GLN A 76 -7.388 2.948 -8.579 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.684 1.731 -6.535 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -9.887 3.019 -9.005 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.865 2.495 -7.649 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -9.397 3.915 -6.115 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.560 4.513 -7.533 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.323 6.619 -7.882 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.034 7.059 -7.884 1.00 0.00 H new ATOM 1171 N VAL A 77 -8.940 -0.155 -9.160 1.00 0.00 N ATOM 1172 CA VAL A 77 -9.378 -1.466 -9.643 1.00 0.00 C ATOM 1173 C VAL A 77 -9.068 -2.580 -8.622 1.00 0.00 C ATOM 1174 O VAL A 77 -9.754 -3.609 -8.590 1.00 0.00 O ATOM 1175 CB VAL A 77 -8.732 -1.766 -11.014 1.00 0.00 C ATOM 1176 CG1 VAL A 77 -7.207 -1.855 -10.884 1.00 0.00 C ATOM 1177 CG2 VAL A 77 -9.272 -3.086 -11.584 1.00 0.00 C ATOM 0 H VAL A 77 -8.270 0.315 -9.769 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.461 -1.441 -9.766 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.986 -0.951 -11.692 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.770 -2.067 -11.860 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.818 -0.908 -10.510 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.947 -2.654 -10.189 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -8.807 -3.283 -12.550 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.041 -3.900 -10.897 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -10.352 -3.013 -11.710 1.00 0.00 H new ATOM 1187 N GLY A 78 -8.036 -2.383 -7.806 1.00 0.00 N ATOM 1188 CA GLY A 78 -7.637 -3.392 -6.814 1.00 0.00 C ATOM 1189 C GLY A 78 -6.218 -3.861 -7.056 1.00 0.00 C ATOM 1190 O GLY A 78 -5.689 -4.703 -6.317 1.00 0.00 O ATOM 0 H GLY A 78 -7.460 -1.541 -7.807 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.719 -2.973 -5.811 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.318 -4.242 -6.861 1.00 0.00 H new ATOM 1194 N GLU A 79 -5.623 -3.336 -8.105 1.00 0.00 N ATOM 1195 CA GLU A 79 -4.289 -3.713 -8.526 1.00 0.00 C ATOM 1196 C GLU A 79 -3.253 -3.535 -7.412 1.00 0.00 C ATOM 1197 O GLU A 79 -3.531 -2.920 -6.373 1.00 0.00 O ATOM 1198 CB GLU A 79 -3.886 -2.886 -9.752 1.00 0.00 C ATOM 1199 CG GLU A 79 -3.730 -3.792 -10.982 1.00 0.00 C ATOM 1200 CD GLU A 79 -2.333 -4.377 -11.018 1.00 0.00 C ATOM 1201 OE1 GLU A 79 -1.941 -4.986 -10.049 1.00 0.00 O ATOM 1202 OE2 GLU A 79 -1.664 -4.207 -12.007 1.00 0.00 O ATOM 0 H GLU A 79 -6.056 -2.627 -8.697 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.310 -4.773 -8.778 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.640 -2.123 -9.948 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.949 -2.365 -9.555 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.468 -4.593 -10.950 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.918 -3.221 -11.891 1.00 0.00 H new ATOM 1209 N VAL A 80 -2.039 -3.992 -7.696 1.00 0.00 N ATOM 1210 CA VAL A 80 -0.898 -3.816 -6.813 1.00 0.00 C ATOM 1211 C VAL A 80 0.036 -2.807 -7.448 1.00 0.00 C ATOM 1212 O VAL A 80 0.424 -2.967 -8.610 1.00 0.00 O ATOM 1213 CB VAL A 80 -0.129 -5.143 -6.645 1.00 0.00 C ATOM 1214 CG1 VAL A 80 0.705 -5.119 -5.364 1.00 0.00 C ATOM 1215 CG2 VAL A 80 -1.088 -6.333 -6.604 1.00 0.00 C ATOM 0 H VAL A 80 -1.820 -4.499 -8.553 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.249 -3.481 -5.837 1.00 0.00 H new ATOM 0 HB VAL A 80 0.531 -5.254 -7.505 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.241 -6.063 -5.261 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.421 -4.298 -5.411 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.049 -4.979 -4.505 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.519 -7.255 -6.485 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.774 -6.219 -5.764 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.656 -6.375 -7.533 1.00 0.00 H new ATOM 1225 N SER A 81 0.403 -1.792 -6.714 1.00 0.00 N ATOM 1226 CA SER A 81 1.301 -0.800 -7.240 1.00 0.00 C ATOM 1227 C SER A 81 2.651 -1.419 -7.505 1.00 0.00 C ATOM 1228 O SER A 81 3.150 -2.202 -6.689 1.00 0.00 O ATOM 1229 CB SER A 81 1.454 0.364 -6.245 1.00 0.00 C ATOM 1230 OG SER A 81 2.164 -0.084 -5.087 1.00 0.00 O ATOM 0 H SER A 81 0.096 -1.630 -5.755 1.00 0.00 H new ATOM 0 HA SER A 81 0.889 -0.416 -8.173 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.989 1.189 -6.715 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.473 0.742 -5.958 1.00 0.00 H new ATOM 0 HG SER A 81 3.128 -0.056 -5.263 1.00 0.00 H new ATOM 1236 N GLU A 82 3.324 -0.922 -8.520 1.00 0.00 N ATOM 1237 CA GLU A 82 4.710 -1.252 -8.705 1.00 0.00 C ATOM 1238 C GLU A 82 5.451 -0.655 -7.529 1.00 0.00 C ATOM 1239 O GLU A 82 4.845 0.066 -6.722 1.00 0.00 O ATOM 1240 CB GLU A 82 5.237 -0.657 -10.025 1.00 0.00 C ATOM 1241 CG GLU A 82 4.142 -0.710 -11.087 1.00 0.00 C ATOM 1242 CD GLU A 82 3.358 0.584 -11.101 1.00 0.00 C ATOM 1243 OE1 GLU A 82 2.616 0.819 -10.164 1.00 0.00 O ATOM 1244 OE2 GLU A 82 3.507 1.325 -12.037 1.00 0.00 O ATOM 0 H GLU A 82 2.933 -0.293 -9.222 1.00 0.00 H new ATOM 0 HA GLU A 82 4.852 -2.331 -8.758 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.556 0.374 -9.869 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.111 -1.214 -10.362 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.585 -0.885 -12.067 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.472 -1.546 -10.887 1.00 0.00 H new ATOM 1251 N PRO A 83 6.714 -0.859 -7.427 1.00 0.00 N ATOM 1252 CA PRO A 83 7.469 -0.251 -6.304 1.00 0.00 C ATOM 1253 C PRO A 83 7.236 1.262 -6.275 1.00 0.00 C ATOM 1254 O PRO A 83 7.315 1.935 -7.315 1.00 0.00 O ATOM 1255 CB PRO A 83 8.933 -0.561 -6.648 1.00 0.00 C ATOM 1256 CG PRO A 83 8.874 -1.780 -7.509 1.00 0.00 C ATOM 1257 CD PRO A 83 7.574 -1.671 -8.305 1.00 0.00 C ATOM 0 HA PRO A 83 7.172 -0.633 -5.327 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.401 0.272 -7.173 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.521 -0.741 -5.748 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.736 -1.830 -8.174 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.886 -2.686 -6.904 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.731 -1.191 -9.271 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.139 -2.651 -8.503 1.00 0.00 H new ATOM 1265 N VAL A 84 6.958 1.784 -5.097 1.00 0.00 N ATOM 1266 CA VAL A 84 6.738 3.206 -4.915 1.00 0.00 C ATOM 1267 C VAL A 84 7.811 3.721 -3.991 1.00 0.00 C ATOM 1268 O VAL A 84 7.962 3.201 -2.893 1.00 0.00 O ATOM 1269 CB VAL A 84 5.359 3.439 -4.247 1.00 0.00 C ATOM 1270 CG1 VAL A 84 5.210 4.906 -3.801 1.00 0.00 C ATOM 1271 CG2 VAL A 84 4.223 3.078 -5.204 1.00 0.00 C ATOM 0 H VAL A 84 6.878 1.236 -4.240 1.00 0.00 H new ATOM 0 HA VAL A 84 6.765 3.717 -5.877 1.00 0.00 H new ATOM 0 HB VAL A 84 5.302 2.793 -3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.235 5.047 -3.335 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.994 5.150 -3.084 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.296 5.560 -4.668 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.265 3.250 -4.713 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.289 3.699 -6.098 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.304 2.028 -5.485 1.00 0.00 H new ATOM 1281 N LYS A 85 8.501 4.771 -4.371 1.00 0.00 N ATOM 1282 CA LYS A 85 9.463 5.347 -3.461 1.00 0.00 C ATOM 1283 C LYS A 85 8.876 6.540 -2.761 1.00 0.00 C ATOM 1284 O LYS A 85 8.405 7.484 -3.411 1.00 0.00 O ATOM 1285 CB LYS A 85 10.769 5.752 -4.133 1.00 0.00 C ATOM 1286 CG LYS A 85 11.717 6.218 -3.018 1.00 0.00 C ATOM 1287 CD LYS A 85 13.069 6.631 -3.570 1.00 0.00 C ATOM 1288 CE LYS A 85 13.970 7.051 -2.392 1.00 0.00 C ATOM 1289 NZ LYS A 85 13.213 7.934 -1.445 1.00 0.00 N ATOM 0 H LYS A 85 8.419 5.233 -5.277 1.00 0.00 H new ATOM 0 HA LYS A 85 9.700 4.562 -2.742 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.199 4.913 -4.680 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.600 6.550 -4.856 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.269 7.057 -2.486 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.849 5.415 -2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.523 5.805 -4.118 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.955 7.456 -4.273 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.329 6.166 -1.866 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.848 7.577 -2.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.883 8.437 -0.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.655 8.625 -1.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.576 7.353 -0.863 1.00 0.00 H new ATOM 1303 N SER A 86 9.000 6.549 -1.463 1.00 0.00 N ATOM 1304 CA SER A 86 8.620 7.678 -0.669 1.00 0.00 C ATOM 1305 C SER A 86 9.857 8.259 -0.030 1.00 0.00 C ATOM 1306 O SER A 86 10.971 7.709 -0.170 1.00 0.00 O ATOM 1307 CB SER A 86 7.659 7.231 0.430 1.00 0.00 C ATOM 1308 OG SER A 86 8.370 6.403 1.354 1.00 0.00 O ATOM 0 H SER A 86 9.371 5.766 -0.925 1.00 0.00 H new ATOM 0 HA SER A 86 8.133 8.422 -1.298 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.243 8.098 0.943 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.821 6.683 -0.001 1.00 0.00 H new ATOM 0 HG SER A 86 7.758 5.740 1.737 1.00 0.00 H new ATOM 1314 N GLU A 87 9.638 9.242 0.797 1.00 0.00 N ATOM 1315 CA GLU A 87 10.670 9.764 1.644 1.00 0.00 C ATOM 1316 C GLU A 87 10.982 8.701 2.692 1.00 0.00 C ATOM 1317 O GLU A 87 12.128 8.534 3.115 1.00 0.00 O ATOM 1318 CB GLU A 87 10.209 11.071 2.329 1.00 0.00 C ATOM 1319 CG GLU A 87 8.676 11.265 2.192 1.00 0.00 C ATOM 1320 CD GLU A 87 8.286 11.515 0.743 1.00 0.00 C ATOM 1321 OE1 GLU A 87 8.658 12.533 0.219 1.00 0.00 O ATOM 1322 OE2 GLU A 87 7.615 10.677 0.178 1.00 0.00 O ATOM 0 H GLU A 87 8.735 9.705 0.902 1.00 0.00 H new ATOM 0 HA GLU A 87 11.557 9.999 1.056 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.483 11.048 3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 87 10.727 11.920 1.884 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.159 10.380 2.564 1.00 0.00 H new ATOM 0 HG3 GLU A 87 8.355 12.105 2.809 1.00 0.00 H new ATOM 1329 N PHE A 88 9.930 7.993 3.106 1.00 0.00 N ATOM 1330 CA PHE A 88 10.032 6.922 4.095 1.00 0.00 C ATOM 1331 C PHE A 88 10.840 5.755 3.551 1.00 0.00 C ATOM 1332 O PHE A 88 11.662 5.162 4.258 1.00 0.00 O ATOM 1333 CB PHE A 88 8.633 6.404 4.452 1.00 0.00 C ATOM 1334 CG PHE A 88 7.859 7.457 5.206 1.00 0.00 C ATOM 1335 CD1 PHE A 88 8.156 7.719 6.546 1.00 0.00 C ATOM 1336 CD2 PHE A 88 6.830 8.162 4.562 1.00 0.00 C ATOM 1337 CE1 PHE A 88 7.434 8.688 7.243 1.00 0.00 C ATOM 1338 CE2 PHE A 88 6.104 9.131 5.263 1.00 0.00 C ATOM 1339 CZ PHE A 88 6.405 9.393 6.603 1.00 0.00 C ATOM 0 H PHE A 88 8.982 8.147 2.763 1.00 0.00 H new ATOM 0 HA PHE A 88 10.527 7.331 4.976 1.00 0.00 H new ATOM 0 HB2 PHE A 88 8.097 6.130 3.543 1.00 0.00 H new ATOM 0 HB3 PHE A 88 8.716 5.501 5.057 1.00 0.00 H new ATOM 0 HD1 PHE A 88 8.944 7.172 7.042 1.00 0.00 H new ATOM 0 HD2 PHE A 88 6.599 7.957 3.527 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.668 8.895 8.277 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.312 9.676 4.770 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.844 10.139 7.146 1.00 0.00 H new ATOM 1349 N GLY A 89 10.546 5.377 2.324 1.00 0.00 N ATOM 1350 CA GLY A 89 11.174 4.212 1.712 1.00 0.00 C ATOM 1351 C GLY A 89 10.312 3.679 0.585 1.00 0.00 C ATOM 1352 O GLY A 89 9.490 4.413 0.022 1.00 0.00 O ATOM 0 H GLY A 89 9.875 5.858 1.725 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.159 4.480 1.330 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.324 3.436 2.462 1.00 0.00 H new ATOM 1356 N TYR A 90 10.494 2.409 0.245 1.00 0.00 N ATOM 1357 CA TYR A 90 9.735 1.796 -0.837 1.00 0.00 C ATOM 1358 C TYR A 90 8.397 1.275 -0.322 1.00 0.00 C ATOM 1359 O TYR A 90 8.352 0.576 0.693 1.00 0.00 O ATOM 1360 CB TYR A 90 10.522 0.634 -1.453 1.00 0.00 C ATOM 1361 CG TYR A 90 11.796 1.139 -2.086 1.00 0.00 C ATOM 1362 CD1 TYR A 90 11.757 1.828 -3.298 1.00 0.00 C ATOM 1363 CD2 TYR A 90 13.016 0.918 -1.452 1.00 0.00 C ATOM 1364 CE1 TYR A 90 12.941 2.285 -3.877 1.00 0.00 C ATOM 1365 CE2 TYR A 90 14.199 1.373 -2.031 1.00 0.00 C ATOM 1366 CZ TYR A 90 14.162 2.062 -3.242 1.00 0.00 C ATOM 1367 OH TYR A 90 15.331 2.511 -3.815 1.00 0.00 O ATOM 0 H TYR A 90 11.159 1.785 0.702 1.00 0.00 H new ATOM 0 HA TYR A 90 9.559 2.557 -1.597 1.00 0.00 H new ATOM 0 HB2 TYR A 90 10.757 -0.102 -0.684 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.911 0.129 -2.202 1.00 0.00 H new ATOM 0 HD1 TYR A 90 10.811 2.008 -3.788 1.00 0.00 H new ATOM 0 HD2 TYR A 90 13.045 0.392 -0.509 1.00 0.00 H new ATOM 0 HE1 TYR A 90 12.912 2.813 -4.819 1.00 0.00 H new ATOM 0 HE2 TYR A 90 15.144 1.192 -1.541 1.00 0.00 H new ATOM 0 HH TYR A 90 16.089 2.273 -3.241 1.00 0.00 H new ATOM 1377 N HIS A 91 7.332 1.539 -1.059 1.00 0.00 N ATOM 1378 CA HIS A 91 6.010 1.037 -0.716 1.00 0.00 C ATOM 1379 C HIS A 91 5.441 0.217 -1.848 1.00 0.00 C ATOM 1380 O HIS A 91 5.554 0.598 -3.015 1.00 0.00 O ATOM 1381 CB HIS A 91 5.023 2.185 -0.440 1.00 0.00 C ATOM 1382 CG HIS A 91 5.511 3.076 0.656 1.00 0.00 C ATOM 1383 ND1 HIS A 91 4.958 3.051 1.925 1.00 0.00 N ATOM 1384 CD2 HIS A 91 6.469 4.045 0.680 1.00 0.00 C ATOM 1385 CE1 HIS A 91 5.584 3.993 2.654 1.00 0.00 C ATOM 1386 NE2 HIS A 91 6.513 4.631 1.941 1.00 0.00 N ATOM 0 H HIS A 91 7.357 2.104 -1.908 1.00 0.00 H new ATOM 0 HA HIS A 91 6.132 0.429 0.180 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.880 2.770 -1.349 1.00 0.00 H new ATOM 0 HB3 HIS A 91 4.051 1.773 -0.170 1.00 0.00 H new ATOM 0 HD1 HIS A 91 4.214 2.433 2.248 1.00 0.00 H new ATOM 0 HD2 HIS A 91 7.099 4.317 -0.154 1.00 0.00 H new ATOM 0 HE1 HIS A 91 5.361 4.206 3.689 1.00 0.00 H new ATOM 1394 N VAL A 92 4.661 -0.773 -1.484 1.00 0.00 N ATOM 1395 CA VAL A 92 3.818 -1.485 -2.420 1.00 0.00 C ATOM 1396 C VAL A 92 2.379 -1.262 -1.981 1.00 0.00 C ATOM 1397 O VAL A 92 2.071 -1.419 -0.798 1.00 0.00 O ATOM 1398 CB VAL A 92 4.159 -2.981 -2.419 1.00 0.00 C ATOM 1399 CG1 VAL A 92 3.269 -3.729 -3.412 1.00 0.00 C ATOM 1400 CG2 VAL A 92 5.625 -3.172 -2.801 1.00 0.00 C ATOM 0 H VAL A 92 4.592 -1.111 -0.524 1.00 0.00 H new ATOM 0 HA VAL A 92 3.971 -1.120 -3.436 1.00 0.00 H new ATOM 0 HB VAL A 92 3.986 -3.381 -1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.522 -4.789 -3.401 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.224 -3.602 -3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.426 -3.329 -4.414 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.866 -4.235 -2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.798 -2.762 -3.796 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.259 -2.656 -2.080 1.00 0.00 H new ATOM 1410 N ILE A 93 1.535 -0.798 -2.883 1.00 0.00 N ATOM 1411 CA ILE A 93 0.176 -0.448 -2.519 1.00 0.00 C ATOM 1412 C ILE A 93 -0.816 -1.278 -3.305 1.00 0.00 C ATOM 1413 O ILE A 93 -0.852 -1.212 -4.531 1.00 0.00 O ATOM 1414 CB ILE A 93 -0.070 1.043 -2.807 1.00 0.00 C ATOM 1415 CG1 ILE A 93 0.906 1.901 -1.994 1.00 0.00 C ATOM 1416 CG2 ILE A 93 -1.504 1.427 -2.415 1.00 0.00 C ATOM 1417 CD1 ILE A 93 0.790 3.363 -2.435 1.00 0.00 C ATOM 0 H ILE A 93 1.764 -0.655 -3.867 1.00 0.00 H new ATOM 0 HA ILE A 93 0.041 -0.647 -1.456 1.00 0.00 H new ATOM 0 HB ILE A 93 0.080 1.218 -3.872 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.686 1.812 -0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.926 1.546 -2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.667 2.484 -2.623 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.211 0.830 -2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -1.653 1.239 -1.352 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.484 3.973 -1.857 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.032 3.444 -3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.228 3.714 -2.267 1.00 0.00 H new ATOM 1429 N LYS A 94 -1.703 -1.939 -2.601 1.00 0.00 N ATOM 1430 CA LYS A 94 -2.802 -2.628 -3.244 1.00 0.00 C ATOM 1431 C LYS A 94 -4.091 -1.952 -2.854 1.00 0.00 C ATOM 1432 O LYS A 94 -4.271 -1.588 -1.688 1.00 0.00 O ATOM 1433 CB LYS A 94 -2.872 -4.098 -2.824 1.00 0.00 C ATOM 1434 CG LYS A 94 -3.996 -4.766 -3.625 1.00 0.00 C ATOM 1435 CD LYS A 94 -4.155 -6.231 -3.216 1.00 0.00 C ATOM 1436 CE LYS A 94 -5.267 -6.876 -4.065 1.00 0.00 C ATOM 1437 NZ LYS A 94 -6.348 -5.881 -4.339 1.00 0.00 N ATOM 0 H LYS A 94 -1.688 -2.016 -1.584 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.645 -2.588 -4.322 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.921 -4.595 -3.015 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.065 -4.180 -1.754 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.933 -4.234 -3.460 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.777 -4.703 -4.691 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.216 -6.765 -3.359 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.403 -6.300 -2.157 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.852 -7.241 -5.004 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.680 -7.739 -3.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.201 -6.377 -4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.566 -5.356 -3.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.030 -5.216 -5.073 1.00 0.00 H new ATOM 1451 N ARG A 95 -5.030 -1.881 -3.770 1.00 0.00 N ATOM 1452 CA ARG A 95 -6.319 -1.338 -3.409 1.00 0.00 C ATOM 1453 C ARG A 95 -7.133 -2.375 -2.668 1.00 0.00 C ATOM 1454 O ARG A 95 -7.063 -3.583 -2.965 1.00 0.00 O ATOM 1455 CB ARG A 95 -7.094 -0.773 -4.608 1.00 0.00 C ATOM 1456 CG ARG A 95 -7.801 0.525 -4.176 1.00 0.00 C ATOM 1457 CD ARG A 95 -9.234 0.224 -3.716 1.00 0.00 C ATOM 1458 NE ARG A 95 -10.062 -0.222 -4.832 1.00 0.00 N ATOM 1459 CZ ARG A 95 -11.282 -0.723 -4.647 1.00 0.00 C ATOM 1460 NH1 ARG A 95 -11.735 -0.916 -3.437 1.00 0.00 N ATOM 1461 NH2 ARG A 95 -12.016 -1.027 -5.678 1.00 0.00 N ATOM 0 H ARG A 95 -4.932 -2.182 -4.740 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.135 -0.491 -2.748 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.414 -0.575 -5.437 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.824 -1.501 -4.962 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.244 0.998 -3.367 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -7.819 1.231 -5.006 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.217 -0.544 -2.942 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.671 1.117 -3.269 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.696 -0.148 -5.781 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -11.154 -0.683 -2.632 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.670 -1.300 -3.298 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.656 -0.881 -6.621 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -12.951 -1.411 -5.543 1.00 0.00 H new ATOM 1475 N LEU A 96 -7.846 -1.905 -1.671 1.00 0.00 N ATOM 1476 CA LEU A 96 -8.644 -2.728 -0.806 1.00 0.00 C ATOM 1477 C LEU A 96 -10.116 -2.477 -1.092 1.00 0.00 C ATOM 1478 O LEU A 96 -10.533 -1.332 -1.301 1.00 0.00 O ATOM 1479 CB LEU A 96 -8.332 -2.383 0.658 1.00 0.00 C ATOM 1480 CG LEU A 96 -9.210 -3.213 1.596 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -8.794 -4.684 1.535 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -9.069 -2.698 3.030 1.00 0.00 C ATOM 0 H LEU A 96 -7.885 -0.913 -1.437 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.415 -3.779 -0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.280 -2.575 0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.503 -1.321 0.833 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.250 -3.122 1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.424 -5.268 2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.909 -5.053 0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -7.752 -4.780 1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.697 -3.293 3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.029 -2.779 3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.381 -1.655 3.074 1.00 0.00 H new ATOM 1494 N GLY A 97 -10.878 -3.534 -1.177 1.00 0.00 N ATOM 1495 CA GLY A 97 -12.299 -3.428 -1.470 1.00 0.00 C ATOM 1496 C GLY A 97 -13.135 -3.744 -0.241 1.00 0.00 C ATOM 1497 O GLY A 97 -14.146 -3.119 -0.069 1.00 0.00 O ATOM 1498 OXT GLY A 97 -12.747 -4.606 0.511 1.00 0.00 O ATOM 0 H GLY A 97 -10.544 -4.489 -1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.527 -2.421 -1.820 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.559 -4.113 -2.277 1.00 0.00 H new