USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 738 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 102 LYS NZ :NH3+ -119:sc= 1.07 (180deg=0) USER MOD Set 1.2: A 118 ASN : amide:sc= -0.312 K(o=0.76,f=-4.2) USER MOD Set 2.1: A 99 ASN : amide:sc= -0.708 X(o=-0.73,f=-0.24) USER MOD Set 2.2: A 103 THR OG1 : rot 180:sc= -0.0199 USER MOD Set 3.1: A 34 LYS NZ :NH3+ 166:sc= 0.0876 (180deg=-0.153) USER MOD Set 3.2: A 71 GLN : amide:sc= -0.194 K(o=-0.11,f=-4.7!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 116:sc= 0.362 USER MOD Single : A 11 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.022) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 71:sc= 0.501 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0635 USER MOD Single : A 52 MET CE :methyl -147:sc= -0.467 (180deg=-2.77!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.258 X(o=-0.26,f=-0.0066) USER MOD Single : A 65 ASN : amide:sc= -0.341 X(o=-0.34,f=-0.35) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -173:sc= -0.247 (180deg=-0.347) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -150:sc= -0.312 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 96 CYS SG : rot 64:sc= 0.814 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00721) USER MOD Single : A 112 GLN : amide:sc=-0.00778 X(o=-0.0078,f=0) USER MOD Single : A 115 MET CE :methyl -143:sc= -1.43 (180deg=-4.32!) USER MOD Single : A 117 MET CE :methyl -117:sc= -0.0419 (180deg=-1.97!) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N SER A 2 -1.037 -21.132 6.891 1.00 0.00 N ATOM 84 CA SER A 2 -1.001 -20.587 5.539 1.00 0.00 C ATOM 85 C SER A 2 -0.234 -19.268 5.506 1.00 0.00 C ATOM 86 O SER A 2 -0.392 -18.402 6.367 1.00 0.00 O ATOM 87 CB SER A 2 -2.422 -20.377 5.012 1.00 0.00 C ATOM 88 OG SER A 2 -3.034 -21.614 4.690 1.00 0.00 O ATOM 0 HA SER A 2 -0.486 -21.303 4.899 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.018 -19.857 5.762 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.395 -19.740 4.128 1.00 0.00 H new ATOM 0 HG SER A 2 -3.942 -21.453 4.357 1.00 0.00 H new ATOM 94 N PRO A 3 0.621 -19.107 4.485 1.00 0.00 N ATOM 95 CA PRO A 3 1.377 -17.853 4.417 1.00 0.00 C ATOM 96 C PRO A 3 0.491 -16.660 4.074 1.00 0.00 C ATOM 97 O PRO A 3 -0.651 -16.825 3.645 1.00 0.00 O ATOM 98 CB PRO A 3 2.387 -18.109 3.295 1.00 0.00 C ATOM 99 CG PRO A 3 1.749 -19.148 2.440 1.00 0.00 C ATOM 100 CD PRO A 3 0.945 -20.014 3.370 1.00 0.00 C ATOM 0 HA PRO A 3 1.836 -17.601 5.373 1.00 0.00 H new ATOM 0 HB2 PRO A 3 2.588 -17.200 2.729 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.341 -18.455 3.693 1.00 0.00 H new ATOM 0 HG2 PRO A 3 1.111 -18.692 1.682 1.00 0.00 H new ATOM 0 HG3 PRO A 3 2.501 -19.735 1.913 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.045 -20.395 2.887 1.00 0.00 H new ATOM 0 HD3 PRO A 3 1.516 -20.879 3.708 1.00 0.00 H new ATOM 108 N PHE A 4 1.024 -15.459 4.266 1.00 0.00 N ATOM 109 CA PHE A 4 0.282 -14.237 3.978 1.00 0.00 C ATOM 110 C PHE A 4 1.211 -13.146 3.453 1.00 0.00 C ATOM 111 O PHE A 4 2.428 -13.212 3.633 1.00 0.00 O ATOM 112 CB PHE A 4 -0.441 -13.746 5.234 1.00 0.00 C ATOM 113 CG PHE A 4 0.478 -13.149 6.260 1.00 0.00 C ATOM 114 CD1 PHE A 4 1.058 -13.943 7.236 1.00 0.00 C ATOM 115 CD2 PHE A 4 0.763 -11.793 6.248 1.00 0.00 C ATOM 116 CE1 PHE A 4 1.904 -13.396 8.182 1.00 0.00 C ATOM 117 CE2 PHE A 4 1.608 -11.240 7.192 1.00 0.00 C ATOM 118 CZ PHE A 4 2.181 -12.042 8.159 1.00 0.00 C ATOM 0 H PHE A 4 1.968 -15.305 4.620 1.00 0.00 H new ATOM 0 HA PHE A 4 -0.455 -14.463 3.207 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.185 -13.003 4.948 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.980 -14.580 5.683 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.847 -15.002 7.258 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.320 -11.161 5.493 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.348 -14.026 8.939 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.820 -10.181 7.173 1.00 0.00 H new ATOM 0 HZ PHE A 4 2.844 -11.612 8.895 1.00 0.00 H new ATOM 128 N LEU A 5 0.629 -12.145 2.803 1.00 0.00 N ATOM 129 CA LEU A 5 1.404 -11.039 2.251 1.00 0.00 C ATOM 130 C LEU A 5 1.205 -9.770 3.074 1.00 0.00 C ATOM 131 O LEU A 5 0.075 -9.377 3.363 1.00 0.00 O ATOM 132 CB LEU A 5 1.003 -10.785 0.797 1.00 0.00 C ATOM 133 CG LEU A 5 1.787 -11.563 -0.261 1.00 0.00 C ATOM 134 CD1 LEU A 5 1.246 -11.268 -1.651 1.00 0.00 C ATOM 135 CD2 LEU A 5 3.269 -11.228 -0.181 1.00 0.00 C ATOM 0 H LEU A 5 -0.376 -12.076 2.645 1.00 0.00 H new ATOM 0 HA LEU A 5 2.458 -11.313 2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.055 -11.024 0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.112 -9.720 0.592 1.00 0.00 H new ATOM 0 HG LEU A 5 1.665 -12.628 -0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.816 -11.830 -2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.197 -11.560 -1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.336 -10.202 -1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.811 -11.791 -0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.410 -10.161 -0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.649 -11.492 0.806 1.00 0.00 H new ATOM 147 N ARG A 6 2.310 -9.133 3.447 1.00 0.00 N ATOM 148 CA ARG A 6 2.257 -7.908 4.235 1.00 0.00 C ATOM 149 C ARG A 6 2.659 -6.701 3.393 1.00 0.00 C ATOM 150 O ARG A 6 3.842 -6.379 3.277 1.00 0.00 O ATOM 151 CB ARG A 6 3.174 -8.021 5.455 1.00 0.00 C ATOM 152 CG ARG A 6 3.215 -6.761 6.305 1.00 0.00 C ATOM 153 CD ARG A 6 4.280 -6.853 7.386 1.00 0.00 C ATOM 154 NE ARG A 6 3.964 -7.874 8.381 1.00 0.00 N ATOM 155 CZ ARG A 6 4.513 -7.918 9.590 1.00 0.00 C ATOM 156 NH1 ARG A 6 5.401 -7.002 9.951 1.00 0.00 N ATOM 157 NH2 ARG A 6 4.174 -8.878 10.440 1.00 0.00 N ATOM 0 H ARG A 6 3.253 -9.445 3.216 1.00 0.00 H new ATOM 0 HA ARG A 6 1.230 -7.767 4.572 1.00 0.00 H new ATOM 0 HB2 ARG A 6 2.842 -8.855 6.073 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.184 -8.256 5.119 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.414 -5.898 5.669 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.240 -6.600 6.766 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.243 -7.079 6.928 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.381 -5.886 7.879 1.00 0.00 H new ATOM 0 HE ARG A 6 3.284 -8.593 8.134 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.664 -6.262 9.300 1.00 0.00 H new ATOM 0 HH12 ARG A 6 5.821 -7.037 10.880 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.491 -9.584 10.166 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.597 -8.910 11.368 1.00 0.00 H new ATOM 171 N ILE A 7 1.668 -6.038 2.807 1.00 0.00 N ATOM 172 CA ILE A 7 1.919 -4.867 1.976 1.00 0.00 C ATOM 173 C ILE A 7 1.893 -3.588 2.806 1.00 0.00 C ATOM 174 O ILE A 7 1.034 -3.414 3.669 1.00 0.00 O ATOM 175 CB ILE A 7 0.885 -4.750 0.841 1.00 0.00 C ATOM 176 CG1 ILE A 7 0.899 -6.013 -0.024 1.00 0.00 C ATOM 177 CG2 ILE A 7 1.165 -3.519 -0.007 1.00 0.00 C ATOM 178 CD1 ILE A 7 -0.009 -7.108 0.491 1.00 0.00 C ATOM 0 H ILE A 7 0.684 -6.292 2.892 1.00 0.00 H new ATOM 0 HA ILE A 7 2.910 -4.995 1.541 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.106 -4.645 1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.600 -5.752 -1.039 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.919 -6.394 -0.080 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.425 -3.451 -0.805 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.109 -2.627 0.617 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.162 -3.596 -0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.051 -7.972 -0.171 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.303 -7.397 1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.036 -6.745 0.521 1.00 0.00 H new ATOM 190 N GLY A 8 2.840 -2.695 2.537 1.00 0.00 N ATOM 191 CA GLY A 8 2.906 -1.442 3.266 1.00 0.00 C ATOM 192 C GLY A 8 3.018 -0.241 2.347 1.00 0.00 C ATOM 193 O GLY A 8 3.937 -0.158 1.531 1.00 0.00 O ATOM 0 H GLY A 8 3.563 -2.817 1.827 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.016 -1.339 3.886 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.763 -1.462 3.939 1.00 0.00 H new ATOM 197 N LEU A 9 2.080 0.690 2.477 1.00 0.00 N ATOM 198 CA LEU A 9 2.076 1.892 1.650 1.00 0.00 C ATOM 199 C LEU A 9 2.793 3.040 2.354 1.00 0.00 C ATOM 200 O LEU A 9 2.749 3.154 3.579 1.00 0.00 O ATOM 201 CB LEU A 9 0.640 2.301 1.317 1.00 0.00 C ATOM 202 CG LEU A 9 -0.207 1.249 0.600 1.00 0.00 C ATOM 203 CD1 LEU A 9 -1.651 1.714 0.487 1.00 0.00 C ATOM 204 CD2 LEU A 9 0.368 0.948 -0.776 1.00 0.00 C ATOM 0 H LEU A 9 1.313 0.636 3.147 1.00 0.00 H new ATOM 0 HA LEU A 9 2.608 1.668 0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.137 2.574 2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.673 3.197 0.697 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.187 0.331 1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.239 0.953 -0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.060 1.878 1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.690 2.645 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.248 0.197 -1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.379 1.860 -1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.385 0.571 -0.671 1.00 0.00 H new ATOM 216 N SER A 10 3.451 3.889 1.572 1.00 0.00 N ATOM 217 CA SER A 10 4.179 5.028 2.120 1.00 0.00 C ATOM 218 C SER A 10 4.608 5.983 1.011 1.00 0.00 C ATOM 219 O SER A 10 4.671 5.606 -0.158 1.00 0.00 O ATOM 220 CB SER A 10 5.405 4.549 2.900 1.00 0.00 C ATOM 221 OG SER A 10 5.904 5.572 3.744 1.00 0.00 O ATOM 0 H SER A 10 3.495 3.810 0.556 1.00 0.00 H new ATOM 0 HA SER A 10 3.513 5.562 2.797 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.142 3.676 3.498 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.183 4.236 2.204 1.00 0.00 H new ATOM 0 HG SER A 10 5.814 5.297 4.680 1.00 0.00 H new ATOM 227 N ASN A 11 4.903 7.223 1.388 1.00 0.00 N ATOM 228 CA ASN A 11 5.326 8.234 0.426 1.00 0.00 C ATOM 229 C ASN A 11 4.233 8.495 -0.606 1.00 0.00 C ATOM 230 O ASN A 11 4.501 8.563 -1.806 1.00 0.00 O ATOM 231 CB ASN A 11 6.612 7.794 -0.276 1.00 0.00 C ATOM 232 CG ASN A 11 7.632 7.223 0.691 1.00 0.00 C ATOM 233 OD1 ASN A 11 8.327 7.965 1.385 1.00 0.00 O ATOM 234 ND2 ASN A 11 7.726 5.900 0.738 1.00 0.00 N ATOM 0 H ASN A 11 4.857 7.552 2.353 1.00 0.00 H new ATOM 0 HA ASN A 11 5.516 9.160 0.970 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.373 7.045 -1.031 1.00 0.00 H new ATOM 0 HB3 ASN A 11 7.047 8.646 -0.798 1.00 0.00 H new ATOM 0 HD21 ASN A 11 8.395 5.458 1.368 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.129 5.325 0.144 1.00 0.00 H new ATOM 241 N PHE A 12 3.000 8.639 -0.131 1.00 0.00 N ATOM 242 CA PHE A 12 1.866 8.892 -1.012 1.00 0.00 C ATOM 243 C PHE A 12 1.949 10.289 -1.618 1.00 0.00 C ATOM 244 O PHE A 12 2.160 11.274 -0.910 1.00 0.00 O ATOM 245 CB PHE A 12 0.552 8.733 -0.245 1.00 0.00 C ATOM 246 CG PHE A 12 -0.658 9.136 -1.038 1.00 0.00 C ATOM 247 CD1 PHE A 12 -0.819 8.707 -2.346 1.00 0.00 C ATOM 248 CD2 PHE A 12 -1.633 9.945 -0.477 1.00 0.00 C ATOM 249 CE1 PHE A 12 -1.932 9.076 -3.079 1.00 0.00 C ATOM 250 CE2 PHE A 12 -2.748 10.316 -1.205 1.00 0.00 C ATOM 251 CZ PHE A 12 -2.897 9.882 -2.508 1.00 0.00 C ATOM 0 H PHE A 12 2.761 8.585 0.859 1.00 0.00 H new ATOM 0 HA PHE A 12 1.897 8.162 -1.821 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.444 7.693 0.064 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.597 9.332 0.664 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.067 8.077 -2.798 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.521 10.290 0.540 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.046 8.734 -4.097 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.502 10.945 -0.755 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.766 10.172 -3.079 1.00 0.00 H new ATOM 261 N ASP A 13 1.782 10.368 -2.934 1.00 0.00 N ATOM 262 CA ASP A 13 1.838 11.644 -3.637 1.00 0.00 C ATOM 263 C ASP A 13 0.491 11.972 -4.275 1.00 0.00 C ATOM 264 O ASP A 13 0.047 11.287 -5.197 1.00 0.00 O ATOM 265 CB ASP A 13 2.929 11.614 -4.708 1.00 0.00 C ATOM 266 CG ASP A 13 4.280 11.217 -4.146 1.00 0.00 C ATOM 267 OD1 ASP A 13 4.845 11.997 -3.351 1.00 0.00 O ATOM 268 OD2 ASP A 13 4.773 10.126 -4.502 1.00 0.00 O ATOM 0 H ASP A 13 1.607 9.563 -3.535 1.00 0.00 H new ATOM 0 HA ASP A 13 2.075 12.421 -2.910 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.645 10.913 -5.493 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.006 12.597 -5.172 1.00 0.00 H new ATOM 273 N CYS A 14 -0.154 13.021 -3.777 1.00 0.00 N ATOM 274 CA CYS A 14 -1.451 13.439 -4.297 1.00 0.00 C ATOM 275 C CYS A 14 -1.302 14.628 -5.239 1.00 0.00 C ATOM 276 O CYS A 14 -2.106 14.816 -6.151 1.00 0.00 O ATOM 277 CB CYS A 14 -2.393 13.798 -3.147 1.00 0.00 C ATOM 278 SG CYS A 14 -4.140 13.840 -3.609 1.00 0.00 S ATOM 0 H CYS A 14 0.200 13.598 -3.014 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.875 12.606 -4.858 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.258 13.075 -2.342 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.110 14.773 -2.750 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.856 14.151 -2.570 1.00 0.00 H new ATOM 431 N PRO A 27 -7.594 12.111 4.518 1.00 0.00 N ATOM 432 CA PRO A 27 -8.321 11.071 3.783 1.00 0.00 C ATOM 433 C PRO A 27 -7.833 9.669 4.128 1.00 0.00 C ATOM 434 O PRO A 27 -6.891 9.502 4.902 1.00 0.00 O ATOM 435 CB PRO A 27 -8.020 11.397 2.317 1.00 0.00 C ATOM 436 CG PRO A 27 -6.723 12.128 2.351 1.00 0.00 C ATOM 437 CD PRO A 27 -6.717 12.903 3.639 1.00 0.00 C ATOM 0 HA PRO A 27 -9.384 11.069 4.024 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.948 10.490 1.716 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.808 12.009 1.877 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.883 11.434 2.309 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.629 12.795 1.494 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.711 12.992 4.050 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.096 13.916 3.500 1.00 0.00 H new ATOM 445 N TYR A 28 -8.480 8.663 3.549 1.00 0.00 N ATOM 446 CA TYR A 28 -8.112 7.274 3.797 1.00 0.00 C ATOM 447 C TYR A 28 -8.009 6.496 2.489 1.00 0.00 C ATOM 448 O TYR A 28 -8.212 7.049 1.407 1.00 0.00 O ATOM 449 CB TYR A 28 -9.137 6.611 4.719 1.00 0.00 C ATOM 450 CG TYR A 28 -10.513 6.485 4.105 1.00 0.00 C ATOM 451 CD1 TYR A 28 -10.822 5.430 3.255 1.00 0.00 C ATOM 452 CD2 TYR A 28 -11.503 7.422 4.372 1.00 0.00 C ATOM 453 CE1 TYR A 28 -12.077 5.311 2.691 1.00 0.00 C ATOM 454 CE2 TYR A 28 -12.761 7.311 3.814 1.00 0.00 C ATOM 455 CZ TYR A 28 -13.044 6.254 2.974 1.00 0.00 C ATOM 456 OH TYR A 28 -14.296 6.140 2.414 1.00 0.00 O ATOM 0 H TYR A 28 -9.262 8.784 2.905 1.00 0.00 H new ATOM 0 HA TYR A 28 -7.136 7.264 4.282 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.778 5.619 4.993 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -9.211 7.189 5.640 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -10.068 4.690 3.032 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -11.285 8.252 5.028 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -12.300 4.485 2.032 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -13.519 8.048 4.034 1.00 0.00 H new ATOM 0 HH TYR A 28 -14.858 6.884 2.716 1.00 0.00 H new ATOM 466 N CYS A 29 -7.695 5.210 2.597 1.00 0.00 N ATOM 467 CA CYS A 29 -7.565 4.354 1.423 1.00 0.00 C ATOM 468 C CYS A 29 -8.509 3.159 1.514 1.00 0.00 C ATOM 469 O CYS A 29 -8.455 2.384 2.468 1.00 0.00 O ATOM 470 CB CYS A 29 -6.122 3.868 1.278 1.00 0.00 C ATOM 471 SG CYS A 29 -4.959 5.152 0.760 1.00 0.00 S ATOM 0 H CYS A 29 -7.526 4.737 3.485 1.00 0.00 H new ATOM 0 HA CYS A 29 -7.834 4.941 0.545 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.791 3.456 2.231 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -6.095 3.055 0.553 1.00 0.00 H new ATOM 0 HG CYS A 29 -4.783 5.996 1.733 1.00 0.00 H new ATOM 477 N ALA A 30 -9.375 3.019 0.516 1.00 0.00 N ATOM 478 CA ALA A 30 -10.332 1.920 0.483 1.00 0.00 C ATOM 479 C ALA A 30 -9.813 0.766 -0.368 1.00 0.00 C ATOM 480 O ALA A 30 -9.700 0.883 -1.589 1.00 0.00 O ATOM 481 CB ALA A 30 -11.675 2.404 -0.044 1.00 0.00 C ATOM 0 H ALA A 30 -9.434 3.653 -0.281 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.464 1.556 1.502 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.379 1.572 -0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.059 3.190 0.606 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.550 2.797 -1.053 1.00 0.00 H new ATOM 487 N VAL A 31 -9.497 -0.349 0.283 1.00 0.00 N ATOM 488 CA VAL A 31 -8.990 -1.524 -0.414 1.00 0.00 C ATOM 489 C VAL A 31 -10.110 -2.517 -0.704 1.00 0.00 C ATOM 490 O VAL A 31 -10.676 -3.116 0.212 1.00 0.00 O ATOM 491 CB VAL A 31 -7.891 -2.231 0.402 1.00 0.00 C ATOM 492 CG1 VAL A 31 -7.357 -3.438 -0.354 1.00 0.00 C ATOM 493 CG2 VAL A 31 -6.768 -1.260 0.734 1.00 0.00 C ATOM 0 H VAL A 31 -9.583 -0.463 1.293 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.565 -1.174 -1.355 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.326 -2.582 1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.582 -3.924 0.238 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.169 -4.142 -0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.937 -3.114 -1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.000 -1.775 1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.333 -0.877 -0.189 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.165 -0.430 1.319 1.00 0.00 H new ATOM 503 N LEU A 32 -10.426 -2.688 -1.983 1.00 0.00 N ATOM 504 CA LEU A 32 -11.479 -3.610 -2.394 1.00 0.00 C ATOM 505 C LEU A 32 -10.896 -4.964 -2.785 1.00 0.00 C ATOM 506 O LEU A 32 -10.221 -5.089 -3.807 1.00 0.00 O ATOM 507 CB LEU A 32 -12.267 -3.024 -3.567 1.00 0.00 C ATOM 508 CG LEU A 32 -13.158 -1.824 -3.244 1.00 0.00 C ATOM 509 CD1 LEU A 32 -12.364 -0.530 -3.331 1.00 0.00 C ATOM 510 CD2 LEU A 32 -14.356 -1.781 -4.183 1.00 0.00 C ATOM 0 H LEU A 32 -9.968 -2.200 -2.753 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.151 -3.755 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.560 -2.728 -4.342 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.891 -3.812 -3.989 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.525 -1.933 -2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.015 0.313 -3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.540 -0.560 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.967 -0.414 -4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.979 -0.921 -3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.008 -1.697 -5.213 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.939 -2.695 -4.071 1.00 0.00 H new ATOM 522 N VAL A 33 -11.162 -5.976 -1.965 1.00 0.00 N ATOM 523 CA VAL A 33 -10.666 -7.322 -2.226 1.00 0.00 C ATOM 524 C VAL A 33 -11.744 -8.190 -2.866 1.00 0.00 C ATOM 525 O VAL A 33 -12.741 -8.531 -2.229 1.00 0.00 O ATOM 526 CB VAL A 33 -10.176 -8.000 -0.933 1.00 0.00 C ATOM 527 CG1 VAL A 33 -9.573 -9.362 -1.240 1.00 0.00 C ATOM 528 CG2 VAL A 33 -9.172 -7.113 -0.214 1.00 0.00 C ATOM 0 H VAL A 33 -11.718 -5.889 -1.114 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.827 -7.223 -2.915 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.032 -8.148 -0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -9.232 -9.826 -0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.326 -9.996 -1.708 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.728 -9.241 -1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.836 -7.608 0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.316 -6.931 -0.864 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.643 -6.163 0.041 1.00 0.00 H new ATOM 538 N LYS A 34 -11.537 -8.545 -4.129 1.00 0.00 N ATOM 539 CA LYS A 34 -12.490 -9.375 -4.857 1.00 0.00 C ATOM 540 C LYS A 34 -11.931 -10.777 -5.080 1.00 0.00 C ATOM 541 O LYS A 34 -10.718 -10.983 -5.044 1.00 0.00 O ATOM 542 CB LYS A 34 -12.835 -8.732 -6.202 1.00 0.00 C ATOM 543 CG LYS A 34 -13.402 -7.329 -6.078 1.00 0.00 C ATOM 544 CD LYS A 34 -13.105 -6.496 -7.313 1.00 0.00 C ATOM 545 CE LYS A 34 -12.982 -5.019 -6.973 1.00 0.00 C ATOM 546 NZ LYS A 34 -11.697 -4.713 -6.286 1.00 0.00 N ATOM 0 H LYS A 34 -10.717 -8.271 -4.671 1.00 0.00 H new ATOM 0 HA LYS A 34 -13.396 -9.455 -4.257 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.938 -8.699 -6.820 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.557 -9.362 -6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.480 -7.383 -5.926 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.980 -6.841 -5.199 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.180 -6.843 -7.773 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.898 -6.637 -8.047 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.055 -4.429 -7.886 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.814 -4.723 -6.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.541 -3.685 -6.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.736 -5.060 -5.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.915 -5.180 -6.788 1.00 0.00 H new ATOM 809 N PRO A 50 -15.710 -7.217 2.476 1.00 0.00 N ATOM 810 CA PRO A 50 -16.038 -5.788 2.443 1.00 0.00 C ATOM 811 C PRO A 50 -14.800 -4.914 2.275 1.00 0.00 C ATOM 812 O PRO A 50 -13.670 -5.383 2.416 1.00 0.00 O ATOM 813 CB PRO A 50 -16.685 -5.541 3.808 1.00 0.00 C ATOM 814 CG PRO A 50 -16.124 -6.602 4.691 1.00 0.00 C ATOM 815 CD PRO A 50 -15.911 -7.803 3.812 1.00 0.00 C ATOM 0 HA PRO A 50 -16.681 -5.536 1.600 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -16.447 -4.546 4.185 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -17.771 -5.608 3.749 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -15.186 -6.278 5.143 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -16.808 -6.832 5.507 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -15.046 -8.385 4.130 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -16.771 -8.473 3.832 1.00 0.00 H new ATOM 823 N THR A 51 -15.020 -3.638 1.972 1.00 0.00 N ATOM 824 CA THR A 51 -13.922 -2.697 1.784 1.00 0.00 C ATOM 825 C THR A 51 -13.017 -2.656 3.009 1.00 0.00 C ATOM 826 O THR A 51 -13.492 -2.660 4.144 1.00 0.00 O ATOM 827 CB THR A 51 -14.443 -1.276 1.496 1.00 0.00 C ATOM 828 OG1 THR A 51 -15.678 -1.344 0.774 1.00 0.00 O ATOM 829 CG2 THR A 51 -13.425 -0.478 0.696 1.00 0.00 C ATOM 0 H THR A 51 -15.948 -3.233 1.852 1.00 0.00 H new ATOM 0 HA THR A 51 -13.350 -3.047 0.925 1.00 0.00 H new ATOM 0 HB THR A 51 -14.607 -0.773 2.449 1.00 0.00 H new ATOM 0 HG1 THR A 51 -16.003 -0.437 0.596 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.815 0.522 0.505 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.496 -0.403 1.261 1.00 0.00 H new ATOM 0 HG23 THR A 51 -13.233 -0.980 -0.252 1.00 0.00 H new ATOM 837 N MET A 52 -11.710 -2.616 2.772 1.00 0.00 N ATOM 838 CA MET A 52 -10.738 -2.572 3.859 1.00 0.00 C ATOM 839 C MET A 52 -10.152 -1.171 4.008 1.00 0.00 C ATOM 840 O MET A 52 -10.174 -0.376 3.068 1.00 0.00 O ATOM 841 CB MET A 52 -9.616 -3.582 3.609 1.00 0.00 C ATOM 842 CG MET A 52 -9.903 -4.962 4.180 1.00 0.00 C ATOM 843 SD MET A 52 -8.432 -6.000 4.259 1.00 0.00 S ATOM 844 CE MET A 52 -7.734 -5.723 2.633 1.00 0.00 C ATOM 0 H MET A 52 -11.300 -2.613 1.838 1.00 0.00 H new ATOM 0 HA MET A 52 -11.253 -2.832 4.784 1.00 0.00 H new ATOM 0 HB2 MET A 52 -9.449 -3.669 2.535 1.00 0.00 H new ATOM 0 HB3 MET A 52 -8.692 -3.202 4.045 1.00 0.00 H new ATOM 0 HG2 MET A 52 -10.323 -4.857 5.180 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.658 -5.455 3.567 1.00 0.00 H new ATOM 0 HE1 MET A 52 -7.235 -6.630 2.292 1.00 0.00 H new ATOM 0 HE2 MET A 52 -8.530 -5.462 1.935 1.00 0.00 H new ATOM 0 HE3 MET A 52 -7.012 -4.908 2.681 1.00 0.00 H new ATOM 854 N TYR A 53 -9.630 -0.877 5.193 1.00 0.00 N ATOM 855 CA TYR A 53 -9.041 0.429 5.465 1.00 0.00 C ATOM 856 C TYR A 53 -7.695 0.284 6.170 1.00 0.00 C ATOM 857 O TYR A 53 -7.592 0.348 7.395 1.00 0.00 O ATOM 858 CB TYR A 53 -9.989 1.271 6.321 1.00 0.00 C ATOM 859 CG TYR A 53 -11.339 1.501 5.681 1.00 0.00 C ATOM 860 CD1 TYR A 53 -11.442 2.051 4.409 1.00 0.00 C ATOM 861 CD2 TYR A 53 -12.512 1.170 6.348 1.00 0.00 C ATOM 862 CE1 TYR A 53 -12.674 2.264 3.821 1.00 0.00 C ATOM 863 CE2 TYR A 53 -13.747 1.377 5.767 1.00 0.00 C ATOM 864 CZ TYR A 53 -13.823 1.925 4.503 1.00 0.00 C ATOM 865 OH TYR A 53 -15.052 2.135 3.921 1.00 0.00 O ATOM 0 H TYR A 53 -9.602 -1.525 5.980 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.879 0.932 4.512 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.131 0.778 7.283 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -9.523 2.235 6.523 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -10.544 2.316 3.871 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -12.457 0.743 7.339 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -12.737 2.694 2.832 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -14.649 1.111 6.299 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.758 1.841 4.533 1.00 0.00 H new ATOM 875 N PRO A 54 -6.632 0.083 5.377 1.00 0.00 N ATOM 876 CA PRO A 54 -5.321 -0.061 6.015 1.00 0.00 C ATOM 877 C PRO A 54 -4.824 1.248 6.622 1.00 0.00 C ATOM 878 O PRO A 54 -5.285 2.337 6.280 1.00 0.00 O ATOM 879 CB PRO A 54 -4.411 -0.495 4.863 1.00 0.00 C ATOM 880 CG PRO A 54 -5.074 0.033 3.638 1.00 0.00 C ATOM 881 CD PRO A 54 -6.552 -0.022 3.910 1.00 0.00 C ATOM 0 HA PRO A 54 -5.348 -0.767 6.845 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.407 -0.087 4.977 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.312 -1.580 4.824 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.753 1.054 3.430 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.815 -0.566 2.765 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.082 0.794 3.419 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -6.993 -0.951 3.549 1.00 0.00 H new ATOM 889 N PRO A 55 -3.859 1.143 7.546 1.00 0.00 N ATOM 890 CA PRO A 55 -3.355 2.380 8.152 1.00 0.00 C ATOM 891 C PRO A 55 -2.547 3.219 7.168 1.00 0.00 C ATOM 892 O PRO A 55 -2.482 2.908 5.979 1.00 0.00 O ATOM 893 CB PRO A 55 -2.461 1.879 9.289 1.00 0.00 C ATOM 894 CG PRO A 55 -2.035 0.516 8.864 1.00 0.00 C ATOM 895 CD PRO A 55 -3.187 -0.052 8.082 1.00 0.00 C ATOM 0 HA PRO A 55 -4.164 3.031 8.483 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.602 2.534 9.436 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.003 1.848 10.234 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.133 0.562 8.253 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.804 -0.108 9.727 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.845 -0.712 7.285 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.853 -0.637 8.716 1.00 0.00 H new ATOM 903 N TRP A 56 -1.932 4.283 7.672 1.00 0.00 N ATOM 904 CA TRP A 56 -1.126 5.167 6.837 1.00 0.00 C ATOM 905 C TRP A 56 0.357 5.015 7.157 1.00 0.00 C ATOM 906 O TRP A 56 0.749 4.973 8.323 1.00 0.00 O ATOM 907 CB TRP A 56 -1.557 6.621 7.035 1.00 0.00 C ATOM 908 CG TRP A 56 -2.637 7.054 6.090 1.00 0.00 C ATOM 909 CD1 TRP A 56 -3.940 7.322 6.401 1.00 0.00 C ATOM 910 CD2 TRP A 56 -2.507 7.267 4.680 1.00 0.00 C ATOM 911 NE1 TRP A 56 -4.627 7.689 5.269 1.00 0.00 N ATOM 912 CE2 TRP A 56 -3.771 7.664 4.201 1.00 0.00 C ATOM 913 CE3 TRP A 56 -1.447 7.163 3.776 1.00 0.00 C ATOM 914 CZ2 TRP A 56 -4.000 7.954 2.858 1.00 0.00 C ATOM 915 CZ3 TRP A 56 -1.675 7.452 2.444 1.00 0.00 C ATOM 916 CH2 TRP A 56 -2.944 7.844 1.996 1.00 0.00 C ATOM 0 H TRP A 56 -1.976 4.555 8.654 1.00 0.00 H new ATOM 0 HA TRP A 56 -1.284 4.887 5.795 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -1.906 6.753 8.059 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -0.691 7.270 6.907 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -4.367 7.255 7.391 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.615 7.940 5.231 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -0.466 6.862 4.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -4.977 8.255 2.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -0.862 7.375 1.737 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -3.091 8.064 0.949 1.00 0.00 H new ATOM 927 N ASP A 57 1.177 4.934 6.115 1.00 0.00 N ATOM 928 CA ASP A 57 2.618 4.789 6.285 1.00 0.00 C ATOM 929 C ASP A 57 2.943 3.574 7.149 1.00 0.00 C ATOM 930 O ASP A 57 3.984 3.527 7.804 1.00 0.00 O ATOM 931 CB ASP A 57 3.208 6.051 6.915 1.00 0.00 C ATOM 932 CG ASP A 57 4.639 6.300 6.480 1.00 0.00 C ATOM 933 OD1 ASP A 57 5.434 5.337 6.478 1.00 0.00 O ATOM 934 OD2 ASP A 57 4.964 7.458 6.142 1.00 0.00 O ATOM 0 H ASP A 57 0.868 4.966 5.143 1.00 0.00 H new ATOM 0 HA ASP A 57 3.063 4.642 5.301 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.594 6.910 6.644 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.171 5.963 8.001 1.00 0.00 H new ATOM 939 N SER A 58 2.044 2.595 7.147 1.00 0.00 N ATOM 940 CA SER A 58 2.233 1.382 7.934 1.00 0.00 C ATOM 941 C SER A 58 2.045 0.139 7.071 1.00 0.00 C ATOM 942 O SER A 58 1.739 0.234 5.881 1.00 0.00 O ATOM 943 CB SER A 58 1.254 1.354 9.109 1.00 0.00 C ATOM 944 OG SER A 58 1.799 2.005 10.243 1.00 0.00 O ATOM 0 H SER A 58 1.178 2.618 6.609 1.00 0.00 H new ATOM 0 HA SER A 58 3.253 1.384 8.319 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.321 1.839 8.821 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.012 0.321 9.360 1.00 0.00 H new ATOM 0 HG SER A 58 1.153 1.975 10.979 1.00 0.00 H new ATOM 950 N THR A 59 2.230 -1.030 7.678 1.00 0.00 N ATOM 951 CA THR A 59 2.082 -2.293 6.966 1.00 0.00 C ATOM 952 C THR A 59 0.871 -3.069 7.470 1.00 0.00 C ATOM 953 O THR A 59 0.654 -3.186 8.676 1.00 0.00 O ATOM 954 CB THR A 59 3.339 -3.171 7.113 1.00 0.00 C ATOM 955 OG1 THR A 59 3.889 -3.022 8.427 1.00 0.00 O ATOM 956 CG2 THR A 59 4.385 -2.797 6.074 1.00 0.00 C ATOM 0 H THR A 59 2.483 -1.128 8.661 1.00 0.00 H new ATOM 0 HA THR A 59 1.940 -2.048 5.913 1.00 0.00 H new ATOM 0 HB THR A 59 3.050 -4.210 6.956 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.687 -3.585 8.513 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.263 -3.430 6.198 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.973 -2.939 5.075 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.670 -1.753 6.204 1.00 0.00 H new ATOM 964 N PHE A 60 0.085 -3.600 6.539 1.00 0.00 N ATOM 965 CA PHE A 60 -1.105 -4.367 6.890 1.00 0.00 C ATOM 966 C PHE A 60 -1.032 -5.779 6.316 1.00 0.00 C ATOM 967 O PHE A 60 -0.412 -6.006 5.277 1.00 0.00 O ATOM 968 CB PHE A 60 -2.362 -3.660 6.377 1.00 0.00 C ATOM 969 CG PHE A 60 -2.430 -3.571 4.879 1.00 0.00 C ATOM 970 CD1 PHE A 60 -1.869 -2.495 4.210 1.00 0.00 C ATOM 971 CD2 PHE A 60 -3.055 -4.563 4.141 1.00 0.00 C ATOM 972 CE1 PHE A 60 -1.931 -2.410 2.832 1.00 0.00 C ATOM 973 CE2 PHE A 60 -3.119 -4.484 2.762 1.00 0.00 C ATOM 974 CZ PHE A 60 -2.556 -3.407 2.107 1.00 0.00 C ATOM 0 H PHE A 60 0.250 -3.513 5.536 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.153 -4.438 7.977 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.242 -4.190 6.742 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.400 -2.654 6.795 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.378 -1.714 4.772 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -3.497 -5.408 4.648 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.492 -1.565 2.322 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.609 -5.264 2.198 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.604 -3.344 1.030 1.00 0.00 H new ATOM 984 N ASP A 61 -1.668 -6.723 7.001 1.00 0.00 N ATOM 985 CA ASP A 61 -1.676 -8.113 6.560 1.00 0.00 C ATOM 986 C ASP A 61 -2.800 -8.359 5.559 1.00 0.00 C ATOM 987 O ASP A 61 -3.876 -7.771 5.662 1.00 0.00 O ATOM 988 CB ASP A 61 -1.830 -9.049 7.759 1.00 0.00 C ATOM 989 CG ASP A 61 -3.156 -8.865 8.471 1.00 0.00 C ATOM 990 OD1 ASP A 61 -3.311 -7.850 9.181 1.00 0.00 O ATOM 991 OD2 ASP A 61 -4.037 -9.737 8.319 1.00 0.00 O ATOM 0 H ASP A 61 -2.185 -6.551 7.864 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.725 -8.318 6.068 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.742 -10.082 7.423 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.016 -8.871 8.462 1.00 0.00 H new ATOM 996 N ALA A 62 -2.542 -9.231 4.590 1.00 0.00 N ATOM 997 CA ALA A 62 -3.532 -9.556 3.571 1.00 0.00 C ATOM 998 C ALA A 62 -3.502 -11.042 3.230 1.00 0.00 C ATOM 999 O ALA A 62 -2.543 -11.534 2.634 1.00 0.00 O ATOM 1000 CB ALA A 62 -3.296 -8.721 2.321 1.00 0.00 C ATOM 0 H ALA A 62 -1.655 -9.725 4.489 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.519 -9.322 3.971 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.043 -8.974 1.568 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.376 -7.663 2.570 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.300 -8.927 1.928 1.00 0.00 H new ATOM 1006 N HIS A 63 -4.558 -11.754 3.613 1.00 0.00 N ATOM 1007 CA HIS A 63 -4.652 -13.185 3.348 1.00 0.00 C ATOM 1008 C HIS A 63 -4.407 -13.481 1.872 1.00 0.00 C ATOM 1009 O HIS A 63 -4.723 -12.666 1.004 1.00 0.00 O ATOM 1010 CB HIS A 63 -6.025 -13.713 3.765 1.00 0.00 C ATOM 1011 CG HIS A 63 -6.326 -13.515 5.219 1.00 0.00 C ATOM 1012 ND1 HIS A 63 -6.143 -14.499 6.167 1.00 0.00 N ATOM 1013 CD2 HIS A 63 -6.800 -12.436 5.886 1.00 0.00 C ATOM 1014 CE1 HIS A 63 -6.492 -14.035 7.353 1.00 0.00 C ATOM 1015 NE2 HIS A 63 -6.894 -12.785 7.211 1.00 0.00 N ATOM 0 H HIS A 63 -5.360 -11.363 4.108 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.884 -13.689 3.934 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.792 -13.215 3.172 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -6.083 -14.776 3.532 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -7.056 -11.479 5.456 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -6.455 -14.585 8.282 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -7.221 -12.178 7.963 1.00 0.00 H new ATOM 1023 N ILE A 64 -3.842 -14.651 1.594 1.00 0.00 N ATOM 1024 CA ILE A 64 -3.556 -15.054 0.223 1.00 0.00 C ATOM 1025 C ILE A 64 -4.460 -16.201 -0.214 1.00 0.00 C ATOM 1026 O ILE A 64 -4.767 -17.097 0.572 1.00 0.00 O ATOM 1027 CB ILE A 64 -2.086 -15.483 0.057 1.00 0.00 C ATOM 1028 CG1 ILE A 64 -1.150 -14.353 0.490 1.00 0.00 C ATOM 1029 CG2 ILE A 64 -1.810 -15.884 -1.384 1.00 0.00 C ATOM 1030 CD1 ILE A 64 0.306 -14.759 0.540 1.00 0.00 C ATOM 0 H ILE A 64 -3.573 -15.336 2.300 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.746 -14.185 -0.406 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.901 -16.347 0.695 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.262 -13.516 -0.199 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.454 -13.998 1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.767 -16.184 -1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.456 -16.717 -1.660 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.009 -15.038 -2.042 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.910 -13.908 0.854 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.432 -15.576 1.251 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.627 -15.086 -0.449 1.00 0.00 H new ATOM 1042 N ASN A 65 -4.883 -16.168 -1.473 1.00 0.00 N ATOM 1043 CA ASN A 65 -5.753 -17.206 -2.016 1.00 0.00 C ATOM 1044 C ASN A 65 -5.666 -17.247 -3.538 1.00 0.00 C ATOM 1045 O ASN A 65 -5.366 -16.242 -4.182 1.00 0.00 O ATOM 1046 CB ASN A 65 -7.200 -16.966 -1.582 1.00 0.00 C ATOM 1047 CG ASN A 65 -7.524 -17.629 -0.257 1.00 0.00 C ATOM 1048 OD1 ASN A 65 -7.556 -18.855 -0.155 1.00 0.00 O ATOM 1049 ND2 ASN A 65 -7.767 -16.818 0.766 1.00 0.00 N ATOM 0 H ASN A 65 -4.638 -15.434 -2.137 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.419 -18.167 -1.625 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.379 -15.894 -1.502 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.874 -17.346 -2.350 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.991 -17.206 1.682 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.729 -15.807 0.636 1.00 0.00 H new ATOM 1056 N LYS A 66 -5.932 -18.417 -4.109 1.00 0.00 N ATOM 1057 CA LYS A 66 -5.887 -18.592 -5.556 1.00 0.00 C ATOM 1058 C LYS A 66 -6.895 -17.678 -6.245 1.00 0.00 C ATOM 1059 O LYS A 66 -8.102 -17.900 -6.169 1.00 0.00 O ATOM 1060 CB LYS A 66 -6.169 -20.050 -5.924 1.00 0.00 C ATOM 1061 CG LYS A 66 -5.946 -20.361 -7.394 1.00 0.00 C ATOM 1062 CD LYS A 66 -6.477 -21.736 -7.760 1.00 0.00 C ATOM 1063 CE LYS A 66 -7.987 -21.721 -7.939 1.00 0.00 C ATOM 1064 NZ LYS A 66 -8.378 -21.296 -9.312 1.00 0.00 N ATOM 0 H LYS A 66 -6.181 -19.259 -3.591 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.887 -18.325 -5.898 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.530 -20.698 -5.323 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.200 -20.289 -5.663 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -6.439 -19.605 -8.005 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.881 -20.309 -7.620 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.004 -22.077 -8.681 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.209 -22.450 -6.981 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.386 -22.715 -7.739 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -8.433 -21.046 -7.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -9.415 -21.299 -9.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -8.019 -20.337 -9.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.974 -21.955 -10.008 1.00 0.00 H new ATOM 1078 N GLY A 67 -6.390 -16.649 -6.920 1.00 0.00 N ATOM 1079 CA GLY A 67 -7.260 -15.718 -7.614 1.00 0.00 C ATOM 1080 C GLY A 67 -7.548 -14.474 -6.798 1.00 0.00 C ATOM 1081 O GLY A 67 -8.527 -13.772 -7.049 1.00 0.00 O ATOM 0 H GLY A 67 -5.394 -16.444 -6.998 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.799 -15.430 -8.559 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.199 -16.215 -7.856 1.00 0.00 H new ATOM 1085 N ARG A 68 -6.694 -14.202 -5.816 1.00 0.00 N ATOM 1086 CA ARG A 68 -6.864 -13.035 -4.958 1.00 0.00 C ATOM 1087 C ARG A 68 -6.438 -11.761 -5.682 1.00 0.00 C ATOM 1088 O ARG A 68 -5.334 -11.680 -6.221 1.00 0.00 O ATOM 1089 CB ARG A 68 -6.052 -13.200 -3.672 1.00 0.00 C ATOM 1090 CG ARG A 68 -6.439 -12.218 -2.578 1.00 0.00 C ATOM 1091 CD ARG A 68 -7.547 -12.774 -1.697 1.00 0.00 C ATOM 1092 NE ARG A 68 -8.870 -12.536 -2.268 1.00 0.00 N ATOM 1093 CZ ARG A 68 -10.004 -12.757 -1.611 1.00 0.00 C ATOM 1094 NH1 ARG A 68 -9.975 -13.217 -0.368 1.00 0.00 N ATOM 1095 NH2 ARG A 68 -11.169 -12.516 -2.198 1.00 0.00 N ATOM 0 H ARG A 68 -5.878 -14.773 -5.595 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.921 -12.952 -4.705 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.181 -14.216 -3.299 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.994 -13.076 -3.902 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.566 -11.990 -1.966 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.766 -11.281 -3.028 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.398 -13.845 -1.560 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.490 -12.315 -0.710 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.927 -12.181 -3.223 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.081 -13.402 0.087 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.847 -13.386 0.134 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.195 -12.161 -3.154 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.039 -12.686 -1.693 1.00 0.00 H new ATOM 1109 N VAL A 69 -7.322 -10.768 -5.690 1.00 0.00 N ATOM 1110 CA VAL A 69 -7.038 -9.498 -6.347 1.00 0.00 C ATOM 1111 C VAL A 69 -7.281 -8.325 -5.404 1.00 0.00 C ATOM 1112 O VAL A 69 -8.281 -8.288 -4.688 1.00 0.00 O ATOM 1113 CB VAL A 69 -7.900 -9.314 -7.610 1.00 0.00 C ATOM 1114 CG1 VAL A 69 -7.406 -10.216 -8.730 1.00 0.00 C ATOM 1115 CG2 VAL A 69 -9.364 -9.588 -7.300 1.00 0.00 C ATOM 0 H VAL A 69 -8.240 -10.819 -5.249 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.987 -9.518 -6.634 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.810 -8.280 -7.943 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.027 -10.072 -9.614 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.372 -9.967 -8.969 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.464 -11.257 -8.411 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.959 -9.453 -8.204 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.475 -10.612 -6.942 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.709 -8.896 -6.532 1.00 0.00 H new ATOM 1125 N MET A 70 -6.358 -7.368 -5.408 1.00 0.00 N ATOM 1126 CA MET A 70 -6.473 -6.192 -4.554 1.00 0.00 C ATOM 1127 C MET A 70 -6.669 -4.931 -5.388 1.00 0.00 C ATOM 1128 O MET A 70 -6.138 -4.818 -6.493 1.00 0.00 O ATOM 1129 CB MET A 70 -5.228 -6.049 -3.676 1.00 0.00 C ATOM 1130 CG MET A 70 -5.171 -4.737 -2.912 1.00 0.00 C ATOM 1131 SD MET A 70 -4.066 -4.809 -1.489 1.00 0.00 S ATOM 1132 CE MET A 70 -2.487 -5.055 -2.299 1.00 0.00 C ATOM 0 H MET A 70 -5.523 -7.384 -5.993 1.00 0.00 H new ATOM 0 HA MET A 70 -7.346 -6.322 -3.915 1.00 0.00 H new ATOM 0 HB2 MET A 70 -5.198 -6.875 -2.966 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.340 -6.134 -4.302 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.841 -3.944 -3.583 1.00 0.00 H new ATOM 0 HG3 MET A 70 -6.174 -4.473 -2.576 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.719 -5.244 -1.549 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.553 -5.909 -2.973 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.227 -4.162 -2.868 1.00 0.00 H new ATOM 1142 N GLN A 71 -7.435 -3.986 -4.853 1.00 0.00 N ATOM 1143 CA GLN A 71 -7.701 -2.733 -5.550 1.00 0.00 C ATOM 1144 C GLN A 71 -7.588 -1.546 -4.599 1.00 0.00 C ATOM 1145 O GLN A 71 -8.427 -1.363 -3.717 1.00 0.00 O ATOM 1146 CB GLN A 71 -9.093 -2.763 -6.184 1.00 0.00 C ATOM 1147 CG GLN A 71 -9.431 -1.506 -6.969 1.00 0.00 C ATOM 1148 CD GLN A 71 -10.466 -1.753 -8.049 1.00 0.00 C ATOM 1149 OE1 GLN A 71 -10.801 -2.898 -8.353 1.00 0.00 O ATOM 1150 NE2 GLN A 71 -10.980 -0.678 -8.635 1.00 0.00 N ATOM 0 H GLN A 71 -7.882 -4.064 -3.940 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.954 -2.618 -6.335 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.163 -3.625 -6.847 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.837 -2.903 -5.400 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.801 -0.743 -6.284 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.523 -1.112 -7.425 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.674 0.253 -8.352 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.681 -0.783 -9.368 1.00 0.00 H new ATOM 1159 N ILE A 72 -6.546 -0.743 -4.785 1.00 0.00 N ATOM 1160 CA ILE A 72 -6.324 0.427 -3.944 1.00 0.00 C ATOM 1161 C ILE A 72 -6.968 1.670 -4.550 1.00 0.00 C ATOM 1162 O ILE A 72 -6.604 2.098 -5.646 1.00 0.00 O ATOM 1163 CB ILE A 72 -4.821 0.692 -3.733 1.00 0.00 C ATOM 1164 CG1 ILE A 72 -4.125 -0.571 -3.223 1.00 0.00 C ATOM 1165 CG2 ILE A 72 -4.618 1.845 -2.762 1.00 0.00 C ATOM 1166 CD1 ILE A 72 -2.625 -0.425 -3.096 1.00 0.00 C ATOM 0 H ILE A 72 -5.842 -0.881 -5.510 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.786 0.215 -2.980 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.377 0.967 -4.690 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.540 -0.837 -2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.346 -1.396 -3.900 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.551 2.020 -2.623 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.084 2.745 -3.163 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.073 1.597 -1.803 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.198 -1.359 -2.729 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.199 -0.189 -4.071 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.396 0.378 -2.396 1.00 0.00 H new ATOM 1178 N ILE A 73 -7.924 2.245 -3.828 1.00 0.00 N ATOM 1179 CA ILE A 73 -8.616 3.440 -4.293 1.00 0.00 C ATOM 1180 C ILE A 73 -8.511 4.568 -3.272 1.00 0.00 C ATOM 1181 O ILE A 73 -8.793 4.377 -2.089 1.00 0.00 O ATOM 1182 CB ILE A 73 -10.103 3.156 -4.576 1.00 0.00 C ATOM 1183 CG1 ILE A 73 -10.242 2.046 -5.620 1.00 0.00 C ATOM 1184 CG2 ILE A 73 -10.805 4.422 -5.045 1.00 0.00 C ATOM 1185 CD1 ILE A 73 -11.652 1.512 -5.749 1.00 0.00 C ATOM 0 H ILE A 73 -8.237 1.903 -2.919 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.130 3.745 -5.220 1.00 0.00 H new ATOM 0 HB ILE A 73 -10.576 2.823 -3.652 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.916 2.426 -6.588 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -9.574 1.226 -5.358 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -11.855 4.205 -5.241 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -10.731 5.187 -4.272 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -10.333 4.783 -5.959 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -11.676 0.729 -6.506 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.975 1.102 -4.792 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -12.322 2.321 -6.042 1.00 0.00 H new ATOM 1197 N VAL A 74 -8.106 5.745 -3.738 1.00 0.00 N ATOM 1198 CA VAL A 74 -7.966 6.906 -2.867 1.00 0.00 C ATOM 1199 C VAL A 74 -9.295 7.637 -2.709 1.00 0.00 C ATOM 1200 O VAL A 74 -9.934 8.007 -3.694 1.00 0.00 O ATOM 1201 CB VAL A 74 -6.912 7.890 -3.407 1.00 0.00 C ATOM 1202 CG1 VAL A 74 -6.777 9.089 -2.481 1.00 0.00 C ATOM 1203 CG2 VAL A 74 -5.573 7.191 -3.586 1.00 0.00 C ATOM 0 H VAL A 74 -7.869 5.920 -4.715 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.640 6.535 -1.895 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.242 8.249 -4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.028 9.773 -2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.736 9.603 -2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.471 8.751 -1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.840 7.901 -3.968 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.235 6.802 -2.626 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.684 6.368 -4.292 1.00 0.00 H new ATOM 1213 N LYS A 75 -9.706 7.844 -1.462 1.00 0.00 N ATOM 1214 CA LYS A 75 -10.958 8.533 -1.173 1.00 0.00 C ATOM 1215 C LYS A 75 -11.113 8.773 0.325 1.00 0.00 C ATOM 1216 O LYS A 75 -10.935 7.862 1.132 1.00 0.00 O ATOM 1217 CB LYS A 75 -12.144 7.719 -1.696 1.00 0.00 C ATOM 1218 CG LYS A 75 -12.114 6.260 -1.274 1.00 0.00 C ATOM 1219 CD LYS A 75 -13.512 5.671 -1.203 1.00 0.00 C ATOM 1220 CE LYS A 75 -13.593 4.338 -1.931 1.00 0.00 C ATOM 1221 NZ LYS A 75 -14.150 4.488 -3.304 1.00 0.00 N ATOM 0 H LYS A 75 -9.190 7.544 -0.635 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.938 9.499 -1.678 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.070 8.172 -1.341 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.159 7.773 -2.785 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.513 5.688 -1.981 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.631 6.172 -0.301 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.798 5.535 -0.160 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -14.225 6.370 -1.641 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.599 3.895 -1.989 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.216 3.650 -1.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.189 3.557 -3.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.109 4.887 -3.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.542 5.125 -3.858 1.00 0.00 H new ATOM 1325 N ILE A 82 -10.442 10.081 -6.330 1.00 0.00 N ATOM 1326 CA ILE A 82 -9.186 10.766 -6.608 1.00 0.00 C ATOM 1327 C ILE A 82 -8.307 9.944 -7.545 1.00 0.00 C ATOM 1328 O ILE A 82 -7.582 10.494 -8.374 1.00 0.00 O ATOM 1329 CB ILE A 82 -8.405 11.058 -5.314 1.00 0.00 C ATOM 1330 CG1 ILE A 82 -9.255 11.898 -4.358 1.00 0.00 C ATOM 1331 CG2 ILE A 82 -7.098 11.768 -5.632 1.00 0.00 C ATOM 1332 CD1 ILE A 82 -8.612 12.109 -3.005 1.00 0.00 C ATOM 0 HA ILE A 82 -9.442 11.710 -7.089 1.00 0.00 H new ATOM 0 HB ILE A 82 -8.172 10.111 -4.827 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -9.449 12.869 -4.814 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -10.221 11.412 -4.221 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.558 11.967 -4.707 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.489 11.137 -6.279 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.309 12.710 -6.139 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -9.270 12.712 -2.380 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -8.443 11.144 -2.528 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.659 12.623 -3.131 1.00 0.00 H new ATOM 1344 N SER A 83 -8.378 8.624 -7.407 1.00 0.00 N ATOM 1345 CA SER A 83 -7.587 7.725 -8.240 1.00 0.00 C ATOM 1346 C SER A 83 -7.950 6.269 -7.964 1.00 0.00 C ATOM 1347 O SER A 83 -8.713 5.973 -7.045 1.00 0.00 O ATOM 1348 CB SER A 83 -6.094 7.946 -7.990 1.00 0.00 C ATOM 1349 OG SER A 83 -5.652 7.216 -6.859 1.00 0.00 O ATOM 0 H SER A 83 -8.975 8.153 -6.727 1.00 0.00 H new ATOM 0 HA SER A 83 -7.810 7.946 -9.284 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.526 7.640 -8.869 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.901 9.008 -7.839 1.00 0.00 H new ATOM 0 HG SER A 83 -4.907 7.690 -6.434 1.00 0.00 H new ATOM 1355 N GLU A 84 -7.397 5.366 -8.768 1.00 0.00 N ATOM 1356 CA GLU A 84 -7.663 3.941 -8.611 1.00 0.00 C ATOM 1357 C GLU A 84 -6.566 3.107 -9.267 1.00 0.00 C ATOM 1358 O GLU A 84 -5.927 3.543 -10.225 1.00 0.00 O ATOM 1359 CB GLU A 84 -9.022 3.583 -9.218 1.00 0.00 C ATOM 1360 CG GLU A 84 -9.045 3.642 -10.736 1.00 0.00 C ATOM 1361 CD GLU A 84 -10.431 3.913 -11.289 1.00 0.00 C ATOM 1362 OE1 GLU A 84 -11.401 3.877 -10.503 1.00 0.00 O ATOM 1363 OE2 GLU A 84 -10.545 4.160 -12.507 1.00 0.00 O ATOM 0 H GLU A 84 -6.763 5.596 -9.533 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.678 3.716 -7.545 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.300 2.579 -8.898 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.777 4.264 -8.825 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.364 4.422 -11.076 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.676 2.699 -11.138 1.00 0.00 H new ATOM 1370 N THR A 85 -6.352 1.904 -8.742 1.00 0.00 N ATOM 1371 CA THR A 85 -5.331 1.010 -9.274 1.00 0.00 C ATOM 1372 C THR A 85 -5.639 -0.443 -8.928 1.00 0.00 C ATOM 1373 O THR A 85 -6.276 -0.729 -7.913 1.00 0.00 O ATOM 1374 CB THR A 85 -3.934 1.369 -8.735 1.00 0.00 C ATOM 1375 OG1 THR A 85 -2.941 0.554 -9.368 1.00 0.00 O ATOM 1376 CG2 THR A 85 -3.869 1.176 -7.227 1.00 0.00 C ATOM 0 H THR A 85 -6.872 1.527 -7.950 1.00 0.00 H new ATOM 0 HA THR A 85 -5.337 1.132 -10.357 1.00 0.00 H new ATOM 0 HB THR A 85 -3.741 2.418 -8.960 1.00 0.00 H new ATOM 0 HG1 THR A 85 -2.055 0.789 -9.021 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.873 1.436 -6.870 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.606 1.819 -6.746 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.082 0.135 -6.984 1.00 0.00 H new ATOM 1384 N THR A 86 -5.183 -1.358 -9.777 1.00 0.00 N ATOM 1385 CA THR A 86 -5.411 -2.781 -9.561 1.00 0.00 C ATOM 1386 C THR A 86 -4.094 -3.526 -9.373 1.00 0.00 C ATOM 1387 O THR A 86 -3.073 -3.159 -9.954 1.00 0.00 O ATOM 1388 CB THR A 86 -6.180 -3.412 -10.737 1.00 0.00 C ATOM 1389 OG1 THR A 86 -5.832 -2.753 -11.960 1.00 0.00 O ATOM 1390 CG2 THR A 86 -7.682 -3.317 -10.514 1.00 0.00 C ATOM 0 H THR A 86 -4.653 -1.139 -10.621 1.00 0.00 H new ATOM 0 HA THR A 86 -6.010 -2.871 -8.655 1.00 0.00 H new ATOM 0 HB THR A 86 -5.903 -4.464 -10.800 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.324 -3.161 -12.703 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.204 -3.769 -11.357 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.948 -3.844 -9.598 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.971 -2.270 -10.427 1.00 0.00 H new ATOM 1398 N VAL A 87 -4.124 -4.575 -8.557 1.00 0.00 N ATOM 1399 CA VAL A 87 -2.933 -5.373 -8.294 1.00 0.00 C ATOM 1400 C VAL A 87 -3.303 -6.795 -7.887 1.00 0.00 C ATOM 1401 O VAL A 87 -4.153 -7.002 -7.021 1.00 0.00 O ATOM 1402 CB VAL A 87 -2.068 -4.742 -7.187 1.00 0.00 C ATOM 1403 CG1 VAL A 87 -2.841 -4.675 -5.878 1.00 0.00 C ATOM 1404 CG2 VAL A 87 -0.774 -5.523 -7.011 1.00 0.00 C ATOM 0 H VAL A 87 -4.961 -4.892 -8.067 1.00 0.00 H new ATOM 0 HA VAL A 87 -2.360 -5.401 -9.221 1.00 0.00 H new ATOM 0 HB VAL A 87 -1.814 -3.725 -7.485 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.214 -4.226 -5.108 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.737 -4.069 -6.015 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.127 -5.681 -5.572 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.175 -5.063 -6.225 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.005 -6.552 -6.736 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.214 -5.514 -7.946 1.00 0.00 H new ATOM 1414 N GLU A 88 -2.657 -7.772 -8.516 1.00 0.00 N ATOM 1415 CA GLU A 88 -2.919 -9.175 -8.218 1.00 0.00 C ATOM 1416 C GLU A 88 -2.221 -9.598 -6.929 1.00 0.00 C ATOM 1417 O GLU A 88 -0.995 -9.550 -6.829 1.00 0.00 O ATOM 1418 CB GLU A 88 -2.454 -10.061 -9.376 1.00 0.00 C ATOM 1419 CG GLU A 88 -3.412 -10.073 -10.556 1.00 0.00 C ATOM 1420 CD GLU A 88 -2.763 -10.583 -11.828 1.00 0.00 C ATOM 1421 OE1 GLU A 88 -1.639 -10.140 -12.141 1.00 0.00 O ATOM 1422 OE2 GLU A 88 -3.381 -11.427 -12.511 1.00 0.00 O ATOM 0 H GLU A 88 -1.949 -7.618 -9.234 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.994 -9.296 -8.085 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.477 -9.717 -9.716 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.325 -11.081 -9.013 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.272 -10.698 -10.315 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.789 -9.064 -10.724 1.00 0.00 H new ATOM 1429 N LEU A 89 -3.011 -10.010 -5.944 1.00 0.00 N ATOM 1430 CA LEU A 89 -2.471 -10.441 -4.659 1.00 0.00 C ATOM 1431 C LEU A 89 -1.815 -11.813 -4.777 1.00 0.00 C ATOM 1432 O LEU A 89 -0.797 -12.083 -4.138 1.00 0.00 O ATOM 1433 CB LEU A 89 -3.578 -10.481 -3.605 1.00 0.00 C ATOM 1434 CG LEU A 89 -3.862 -9.166 -2.879 1.00 0.00 C ATOM 1435 CD1 LEU A 89 -5.104 -9.293 -2.010 1.00 0.00 C ATOM 1436 CD2 LEU A 89 -2.663 -8.750 -2.040 1.00 0.00 C ATOM 0 H LEU A 89 -4.028 -10.055 -6.010 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.712 -9.721 -4.352 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.498 -10.813 -4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.317 -11.234 -2.862 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.043 -8.393 -3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.290 -8.347 -1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.961 -9.544 -2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.952 -10.079 -1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.883 -7.812 -1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.450 -9.523 -1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.795 -8.617 -2.686 1.00 0.00 H new ATOM 1448 N TYR A 90 -2.403 -12.676 -5.597 1.00 0.00 N ATOM 1449 CA TYR A 90 -1.876 -14.020 -5.799 1.00 0.00 C ATOM 1450 C TYR A 90 -0.482 -13.972 -6.417 1.00 0.00 C ATOM 1451 O TYR A 90 0.466 -14.548 -5.884 1.00 0.00 O ATOM 1452 CB TYR A 90 -2.816 -14.830 -6.694 1.00 0.00 C ATOM 1453 CG TYR A 90 -2.290 -16.206 -7.035 1.00 0.00 C ATOM 1454 CD1 TYR A 90 -2.435 -17.266 -6.149 1.00 0.00 C ATOM 1455 CD2 TYR A 90 -1.650 -16.447 -8.245 1.00 0.00 C ATOM 1456 CE1 TYR A 90 -1.956 -18.525 -6.456 1.00 0.00 C ATOM 1457 CE2 TYR A 90 -1.169 -17.702 -8.561 1.00 0.00 C ATOM 1458 CZ TYR A 90 -1.324 -18.738 -7.663 1.00 0.00 C ATOM 1459 OH TYR A 90 -0.846 -19.991 -7.974 1.00 0.00 O ATOM 0 H TYR A 90 -3.246 -12.469 -6.133 1.00 0.00 H new ATOM 0 HA TYR A 90 -1.805 -14.505 -4.825 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -3.780 -14.932 -6.196 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -2.991 -14.278 -7.617 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.931 -17.103 -5.204 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -1.527 -15.638 -8.950 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -2.076 -19.338 -5.755 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.674 -17.872 -9.506 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.429 -19.971 -8.861 1.00 0.00 H new ATOM 1469 N SER A 91 -0.367 -13.280 -7.546 1.00 0.00 N ATOM 1470 CA SER A 91 0.910 -13.158 -8.240 1.00 0.00 C ATOM 1471 C SER A 91 1.921 -12.395 -7.389 1.00 0.00 C ATOM 1472 O SER A 91 3.118 -12.683 -7.419 1.00 0.00 O ATOM 1473 CB SER A 91 0.719 -12.450 -9.583 1.00 0.00 C ATOM 1474 OG SER A 91 -0.368 -13.005 -10.302 1.00 0.00 O ATOM 0 H SER A 91 -1.142 -12.796 -7.999 1.00 0.00 H new ATOM 0 HA SER A 91 1.296 -14.162 -8.418 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.544 -11.387 -9.416 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.631 -12.533 -10.174 1.00 0.00 H new ATOM 0 HG SER A 91 -0.470 -12.534 -11.155 1.00 0.00 H new ATOM 1480 N LEU A 92 1.430 -11.421 -6.631 1.00 0.00 N ATOM 1481 CA LEU A 92 2.289 -10.616 -5.770 1.00 0.00 C ATOM 1482 C LEU A 92 3.112 -11.501 -4.840 1.00 0.00 C ATOM 1483 O LEU A 92 4.320 -11.312 -4.695 1.00 0.00 O ATOM 1484 CB LEU A 92 1.448 -9.637 -4.948 1.00 0.00 C ATOM 1485 CG LEU A 92 2.220 -8.719 -4.001 1.00 0.00 C ATOM 1486 CD1 LEU A 92 3.269 -7.926 -4.763 1.00 0.00 C ATOM 1487 CD2 LEU A 92 1.268 -7.784 -3.270 1.00 0.00 C ATOM 0 H LEU A 92 0.442 -11.170 -6.595 1.00 0.00 H new ATOM 0 HA LEU A 92 2.973 -10.054 -6.406 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.874 -9.016 -5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.730 -10.210 -4.361 1.00 0.00 H new ATOM 0 HG LEU A 92 2.729 -9.337 -3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.808 -7.278 -4.072 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.970 -8.612 -5.239 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.782 -7.318 -5.526 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.835 -7.138 -2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.730 -7.173 -3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.555 -8.371 -2.691 1.00 0.00 H new ATOM 1499 N ALA A 93 2.451 -12.469 -4.214 1.00 0.00 N ATOM 1500 CA ALA A 93 3.123 -13.386 -3.301 1.00 0.00 C ATOM 1501 C ALA A 93 4.323 -14.047 -3.972 1.00 0.00 C ATOM 1502 O ALA A 93 5.288 -14.420 -3.307 1.00 0.00 O ATOM 1503 CB ALA A 93 2.147 -14.442 -2.802 1.00 0.00 C ATOM 0 H ALA A 93 1.451 -12.639 -4.322 1.00 0.00 H new ATOM 0 HA ALA A 93 3.487 -12.811 -2.449 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.661 -15.120 -2.121 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.323 -13.957 -2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.756 -15.006 -3.649 1.00 0.00 H new ATOM 1509 N GLU A 94 4.254 -14.188 -5.292 1.00 0.00 N ATOM 1510 CA GLU A 94 5.335 -14.806 -6.051 1.00 0.00 C ATOM 1511 C GLU A 94 6.422 -13.786 -6.377 1.00 0.00 C ATOM 1512 O GLU A 94 7.614 -14.087 -6.302 1.00 0.00 O ATOM 1513 CB GLU A 94 4.794 -15.422 -7.342 1.00 0.00 C ATOM 1514 CG GLU A 94 3.616 -16.356 -7.124 1.00 0.00 C ATOM 1515 CD GLU A 94 3.089 -16.942 -8.420 1.00 0.00 C ATOM 1516 OE1 GLU A 94 3.671 -17.937 -8.901 1.00 0.00 O ATOM 1517 OE2 GLU A 94 2.095 -16.407 -8.953 1.00 0.00 O ATOM 0 H GLU A 94 3.462 -13.883 -5.857 1.00 0.00 H new ATOM 0 HA GLU A 94 5.772 -15.594 -5.437 1.00 0.00 H new ATOM 0 HB2 GLU A 94 4.492 -14.622 -8.018 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.595 -15.971 -7.836 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.917 -17.166 -6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.815 -15.813 -6.623 1.00 0.00 H new ATOM 1524 N ARG A 95 6.003 -12.578 -6.740 1.00 0.00 N ATOM 1525 CA ARG A 95 6.940 -11.514 -7.080 1.00 0.00 C ATOM 1526 C ARG A 95 7.930 -11.278 -5.943 1.00 0.00 C ATOM 1527 O ARG A 95 9.119 -11.059 -6.178 1.00 0.00 O ATOM 1528 CB ARG A 95 6.184 -10.220 -7.389 1.00 0.00 C ATOM 1529 CG ARG A 95 5.610 -10.172 -8.796 1.00 0.00 C ATOM 1530 CD ARG A 95 4.866 -8.870 -9.049 1.00 0.00 C ATOM 1531 NE ARG A 95 4.209 -8.860 -10.353 1.00 0.00 N ATOM 1532 CZ ARG A 95 3.828 -7.750 -10.976 1.00 0.00 C ATOM 1533 NH1 ARG A 95 4.039 -6.567 -10.417 1.00 0.00 N ATOM 1534 NH2 ARG A 95 3.236 -7.823 -12.161 1.00 0.00 N ATOM 0 H ARG A 95 5.021 -12.312 -6.806 1.00 0.00 H new ATOM 0 HA ARG A 95 7.496 -11.822 -7.965 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.373 -10.102 -6.670 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.857 -9.374 -7.251 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.415 -10.280 -9.523 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.933 -11.014 -8.943 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.122 -8.720 -8.267 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.565 -8.036 -8.989 1.00 0.00 H new ATOM 0 HE ARG A 95 4.033 -9.754 -10.811 1.00 0.00 H new ATOM 0 HH11 ARG A 95 4.495 -6.507 -9.506 1.00 0.00 H new ATOM 0 HH12 ARG A 95 3.746 -5.716 -10.897 1.00 0.00 H new ATOM 0 HH21 ARG A 95 3.073 -8.732 -12.595 1.00 0.00 H new ATOM 0 HH22 ARG A 95 2.944 -6.970 -12.639 1.00 0.00 H new ATOM 1548 N CYS A 96 7.432 -11.324 -4.713 1.00 0.00 N ATOM 1549 CA CYS A 96 8.272 -11.114 -3.539 1.00 0.00 C ATOM 1550 C CYS A 96 9.382 -12.157 -3.471 1.00 0.00 C ATOM 1551 O CYS A 96 10.554 -11.821 -3.299 1.00 0.00 O ATOM 1552 CB CYS A 96 7.428 -11.166 -2.265 1.00 0.00 C ATOM 1553 SG CYS A 96 5.986 -10.075 -2.290 1.00 0.00 S ATOM 0 H CYS A 96 6.451 -11.505 -4.502 1.00 0.00 H new ATOM 0 HA CYS A 96 8.729 -10.128 -3.622 1.00 0.00 H new ATOM 0 HB2 CYS A 96 7.092 -12.191 -2.106 1.00 0.00 H new ATOM 0 HB3 CYS A 96 8.056 -10.901 -1.415 1.00 0.00 H new ATOM 0 HG CYS A 96 5.169 -10.457 -3.226 1.00 0.00 H new ATOM 1559 N ARG A 97 9.005 -13.424 -3.607 1.00 0.00 N ATOM 1560 CA ARG A 97 9.968 -14.518 -3.558 1.00 0.00 C ATOM 1561 C ARG A 97 11.105 -14.285 -4.549 1.00 0.00 C ATOM 1562 O ARG A 97 12.265 -14.580 -4.260 1.00 0.00 O ATOM 1563 CB ARG A 97 9.277 -15.848 -3.862 1.00 0.00 C ATOM 1564 CG ARG A 97 8.227 -16.238 -2.834 1.00 0.00 C ATOM 1565 CD ARG A 97 7.345 -17.368 -3.340 1.00 0.00 C ATOM 1566 NE ARG A 97 8.110 -18.584 -3.605 1.00 0.00 N ATOM 1567 CZ ARG A 97 7.584 -19.682 -4.135 1.00 0.00 C ATOM 1568 NH1 ARG A 97 6.299 -19.718 -4.456 1.00 0.00 N ATOM 1569 NH2 ARG A 97 8.346 -20.748 -4.345 1.00 0.00 N ATOM 0 H ARG A 97 8.039 -13.719 -3.752 1.00 0.00 H new ATOM 0 HA ARG A 97 10.387 -14.556 -2.552 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.807 -15.788 -4.844 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.030 -16.635 -3.917 1.00 0.00 H new ATOM 0 HG2 ARG A 97 8.717 -16.544 -1.910 1.00 0.00 H new ATOM 0 HG3 ARG A 97 7.610 -15.372 -2.596 1.00 0.00 H new ATOM 0 HD2 ARG A 97 6.570 -17.581 -2.603 1.00 0.00 H new ATOM 0 HD3 ARG A 97 6.839 -17.052 -4.252 1.00 0.00 H new ATOM 0 HE ARG A 97 9.103 -18.590 -3.370 1.00 0.00 H new ATOM 0 HH11 ARG A 97 5.710 -18.900 -4.296 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.898 -20.563 -4.863 1.00 0.00 H new ATOM 0 HH21 ARG A 97 9.336 -20.724 -4.099 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.942 -21.591 -4.752 1.00 0.00 H new ATOM 1583 N LYS A 98 10.764 -13.755 -5.718 1.00 0.00 N ATOM 1584 CA LYS A 98 11.755 -13.481 -6.752 1.00 0.00 C ATOM 1585 C LYS A 98 12.861 -12.575 -6.220 1.00 0.00 C ATOM 1586 O LYS A 98 13.987 -12.599 -6.715 1.00 0.00 O ATOM 1587 CB LYS A 98 11.089 -12.830 -7.967 1.00 0.00 C ATOM 1588 CG LYS A 98 9.863 -13.579 -8.462 1.00 0.00 C ATOM 1589 CD LYS A 98 9.663 -13.393 -9.956 1.00 0.00 C ATOM 1590 CE LYS A 98 10.593 -14.290 -10.759 1.00 0.00 C ATOM 1591 NZ LYS A 98 10.095 -14.508 -12.145 1.00 0.00 N ATOM 0 H LYS A 98 9.808 -13.506 -5.974 1.00 0.00 H new ATOM 0 HA LYS A 98 12.200 -14.429 -7.053 1.00 0.00 H new ATOM 0 HB2 LYS A 98 10.803 -11.810 -7.711 1.00 0.00 H new ATOM 0 HB3 LYS A 98 11.815 -12.763 -8.777 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.968 -14.640 -8.237 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.980 -13.226 -7.929 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.628 -13.615 -10.216 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.842 -12.351 -10.221 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.586 -13.842 -10.796 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.695 -15.251 -10.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.757 -15.124 -12.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.158 -14.959 -12.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.022 -13.594 -12.635 1.00 0.00 H new ATOM 1605 N ASN A 99 12.533 -11.780 -5.208 1.00 0.00 N ATOM 1606 CA ASN A 99 13.499 -10.867 -4.608 1.00 0.00 C ATOM 1607 C ASN A 99 14.142 -11.490 -3.373 1.00 0.00 C ATOM 1608 O ASN A 99 14.589 -10.784 -2.470 1.00 0.00 O ATOM 1609 CB ASN A 99 12.822 -9.547 -4.233 1.00 0.00 C ATOM 1610 CG ASN A 99 12.768 -8.575 -5.396 1.00 0.00 C ATOM 1611 OD1 ASN A 99 13.232 -7.439 -5.291 1.00 0.00 O ATOM 1612 ND2 ASN A 99 12.199 -9.017 -6.511 1.00 0.00 N ATOM 0 H ASN A 99 11.605 -11.749 -4.786 1.00 0.00 H new ATOM 0 HA ASN A 99 14.280 -10.671 -5.343 1.00 0.00 H new ATOM 0 HB2 ASN A 99 11.809 -9.748 -3.883 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.361 -9.088 -3.404 1.00 0.00 H new ATOM 0 HD21 ASN A 99 12.133 -8.407 -7.326 1.00 0.00 H new ATOM 0 HD22 ASN A 99 11.828 -9.966 -6.553 1.00 0.00 H new ATOM 1619 N ASN A 100 14.184 -12.818 -3.341 1.00 0.00 N ATOM 1620 CA ASN A 100 14.772 -13.537 -2.216 1.00 0.00 C ATOM 1621 C ASN A 100 14.102 -13.139 -0.905 1.00 0.00 C ATOM 1622 O ASN A 100 14.719 -13.182 0.158 1.00 0.00 O ATOM 1623 CB ASN A 100 16.275 -13.262 -2.138 1.00 0.00 C ATOM 1624 CG ASN A 100 17.076 -14.155 -3.066 1.00 0.00 C ATOM 1625 OD1 ASN A 100 17.409 -13.766 -4.185 1.00 0.00 O ATOM 1626 ND2 ASN A 100 17.389 -15.360 -2.603 1.00 0.00 N ATOM 0 H ASN A 100 13.818 -13.418 -4.080 1.00 0.00 H new ATOM 0 HA ASN A 100 14.612 -14.603 -2.375 1.00 0.00 H new ATOM 0 HB2 ASN A 100 16.464 -12.218 -2.390 1.00 0.00 H new ATOM 0 HB3 ASN A 100 16.616 -13.409 -1.113 1.00 0.00 H new ATOM 0 HD21 ASN A 100 17.927 -16.005 -3.182 1.00 0.00 H new ATOM 0 HD22 ASN A 100 17.092 -15.640 -1.668 1.00 0.00 H new ATOM 1633 N GLY A 101 12.832 -12.751 -0.990 1.00 0.00 N ATOM 1634 CA GLY A 101 12.099 -12.351 0.197 1.00 0.00 C ATOM 1635 C GLY A 101 10.997 -11.356 -0.111 1.00 0.00 C ATOM 1636 O GLY A 101 9.834 -11.731 -0.258 1.00 0.00 O ATOM 0 H GLY A 101 12.299 -12.707 -1.859 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.666 -13.234 0.668 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.790 -11.912 0.917 1.00 0.00 H new ATOM 1640 N LYS A 102 11.364 -10.082 -0.208 1.00 0.00 N ATOM 1641 CA LYS A 102 10.399 -9.028 -0.499 1.00 0.00 C ATOM 1642 C LYS A 102 10.817 -8.235 -1.733 1.00 0.00 C ATOM 1643 O LYS A 102 11.999 -7.957 -1.935 1.00 0.00 O ATOM 1644 CB LYS A 102 10.260 -8.089 0.701 1.00 0.00 C ATOM 1645 CG LYS A 102 11.562 -7.419 1.103 1.00 0.00 C ATOM 1646 CD LYS A 102 11.711 -6.054 0.450 1.00 0.00 C ATOM 1647 CE LYS A 102 11.150 -4.950 1.333 1.00 0.00 C ATOM 1648 NZ LYS A 102 11.576 -3.600 0.872 1.00 0.00 N ATOM 0 H LYS A 102 12.323 -9.755 -0.089 1.00 0.00 H new ATOM 0 HA LYS A 102 9.435 -9.497 -0.698 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.523 -7.321 0.467 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.874 -8.653 1.550 1.00 0.00 H new ATOM 0 HG2 LYS A 102 11.597 -7.311 2.187 1.00 0.00 H new ATOM 0 HG3 LYS A 102 12.402 -8.053 0.819 1.00 0.00 H new ATOM 0 HD2 LYS A 102 12.764 -5.859 0.247 1.00 0.00 H new ATOM 0 HD3 LYS A 102 11.196 -6.051 -0.510 1.00 0.00 H new ATOM 0 HE2 LYS A 102 10.061 -5.006 1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.480 -5.104 2.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 12.126 -3.135 1.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.164 -3.694 0.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.736 -3.027 0.652 1.00 0.00 H new ATOM 1662 N THR A 103 9.838 -7.871 -2.556 1.00 0.00 N ATOM 1663 CA THR A 103 10.104 -7.109 -3.770 1.00 0.00 C ATOM 1664 C THR A 103 9.518 -5.705 -3.677 1.00 0.00 C ATOM 1665 O THR A 103 8.603 -5.455 -2.893 1.00 0.00 O ATOM 1666 CB THR A 103 9.528 -7.812 -5.013 1.00 0.00 C ATOM 1667 OG1 THR A 103 9.965 -7.144 -6.201 1.00 0.00 O ATOM 1668 CG2 THR A 103 8.007 -7.832 -4.967 1.00 0.00 C ATOM 0 H THR A 103 8.854 -8.092 -2.404 1.00 0.00 H new ATOM 0 HA THR A 103 11.187 -7.042 -3.870 1.00 0.00 H new ATOM 0 HB THR A 103 9.890 -8.840 -5.021 1.00 0.00 H new ATOM 0 HG1 THR A 103 9.596 -7.599 -6.987 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.623 -8.333 -5.855 1.00 0.00 H new ATOM 0 HG22 THR A 103 7.677 -8.367 -4.077 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.630 -6.810 -4.936 1.00 0.00 H new ATOM 1676 N GLU A 104 10.050 -4.792 -4.483 1.00 0.00 N ATOM 1677 CA GLU A 104 9.578 -3.412 -4.491 1.00 0.00 C ATOM 1678 C GLU A 104 8.830 -3.100 -5.784 1.00 0.00 C ATOM 1679 O GLU A 104 9.338 -3.337 -6.880 1.00 0.00 O ATOM 1680 CB GLU A 104 10.754 -2.446 -4.324 1.00 0.00 C ATOM 1681 CG GLU A 104 11.311 -2.405 -2.911 1.00 0.00 C ATOM 1682 CD GLU A 104 12.701 -1.803 -2.850 1.00 0.00 C ATOM 1683 OE1 GLU A 104 13.408 -1.834 -3.879 1.00 0.00 O ATOM 1684 OE2 GLU A 104 13.082 -1.299 -1.772 1.00 0.00 O ATOM 0 H GLU A 104 10.808 -4.983 -5.139 1.00 0.00 H new ATOM 0 HA GLU A 104 8.891 -3.286 -3.654 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.550 -2.733 -5.011 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.433 -1.444 -4.609 1.00 0.00 H new ATOM 0 HG2 GLU A 104 10.640 -1.826 -2.277 1.00 0.00 H new ATOM 0 HG3 GLU A 104 11.339 -3.417 -2.506 1.00 0.00 H new ATOM 1691 N ILE A 105 7.620 -2.568 -5.646 1.00 0.00 N ATOM 1692 CA ILE A 105 6.801 -2.223 -6.802 1.00 0.00 C ATOM 1693 C ILE A 105 6.224 -0.818 -6.667 1.00 0.00 C ATOM 1694 O ILE A 105 5.838 -0.397 -5.577 1.00 0.00 O ATOM 1695 CB ILE A 105 5.647 -3.224 -6.993 1.00 0.00 C ATOM 1696 CG1 ILE A 105 6.196 -4.642 -7.164 1.00 0.00 C ATOM 1697 CG2 ILE A 105 4.798 -2.831 -8.192 1.00 0.00 C ATOM 1698 CD1 ILE A 105 5.161 -5.722 -6.934 1.00 0.00 C ATOM 0 H ILE A 105 7.185 -2.367 -4.746 1.00 0.00 H new ATOM 0 HA ILE A 105 7.453 -2.263 -7.674 1.00 0.00 H new ATOM 0 HB ILE A 105 5.017 -3.203 -6.104 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.602 -4.747 -8.170 1.00 0.00 H new ATOM 0 HG13 ILE A 105 7.023 -4.789 -6.470 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.986 -3.548 -8.314 1.00 0.00 H new ATOM 0 HG22 ILE A 105 4.382 -1.836 -8.033 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.416 -2.827 -9.090 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.620 -6.701 -7.072 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.772 -5.643 -5.919 1.00 0.00 H new ATOM 0 HD13 ILE A 105 4.344 -5.601 -7.646 1.00 0.00 H new ATOM 1710 N TRP A 106 6.167 -0.099 -7.782 1.00 0.00 N ATOM 1711 CA TRP A 106 5.634 1.259 -7.789 1.00 0.00 C ATOM 1712 C TRP A 106 4.243 1.295 -8.412 1.00 0.00 C ATOM 1713 O TRP A 106 4.086 1.085 -9.616 1.00 0.00 O ATOM 1714 CB TRP A 106 6.574 2.193 -8.554 1.00 0.00 C ATOM 1715 CG TRP A 106 7.667 2.763 -7.703 1.00 0.00 C ATOM 1716 CD1 TRP A 106 8.926 2.258 -7.540 1.00 0.00 C ATOM 1717 CD2 TRP A 106 7.599 3.943 -6.896 1.00 0.00 C ATOM 1718 NE1 TRP A 106 9.644 3.055 -6.681 1.00 0.00 N ATOM 1719 CE2 TRP A 106 8.853 4.096 -6.273 1.00 0.00 C ATOM 1720 CE3 TRP A 106 6.601 4.888 -6.641 1.00 0.00 C ATOM 1721 CZ2 TRP A 106 9.132 5.153 -5.411 1.00 0.00 C ATOM 1722 CZ3 TRP A 106 6.880 5.937 -5.786 1.00 0.00 C ATOM 1723 CH2 TRP A 106 8.137 6.063 -5.180 1.00 0.00 C ATOM 0 H TRP A 106 6.483 -0.433 -8.692 1.00 0.00 H new ATOM 0 HA TRP A 106 5.557 1.598 -6.756 1.00 0.00 H new ATOM 0 HB2 TRP A 106 7.019 1.647 -9.386 1.00 0.00 H new ATOM 0 HB3 TRP A 106 5.993 3.010 -8.982 1.00 0.00 H new ATOM 0 HD1 TRP A 106 9.302 1.364 -8.016 1.00 0.00 H new ATOM 0 HE1 TRP A 106 10.610 2.897 -6.394 1.00 0.00 H new ATOM 0 HE3 TRP A 106 5.629 4.800 -7.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 10.100 5.251 -4.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 6.116 6.672 -5.581 1.00 0.00 H new ATOM 0 HH2 TRP A 106 8.324 6.895 -4.517 1.00 0.00 H new ATOM 1734 N LEU A 107 3.237 1.561 -7.587 1.00 0.00 N ATOM 1735 CA LEU A 107 1.858 1.625 -8.058 1.00 0.00 C ATOM 1736 C LEU A 107 1.624 2.881 -8.892 1.00 0.00 C ATOM 1737 O LEU A 107 2.112 3.959 -8.555 1.00 0.00 O ATOM 1738 CB LEU A 107 0.891 1.599 -6.873 1.00 0.00 C ATOM 1739 CG LEU A 107 0.846 0.297 -6.072 1.00 0.00 C ATOM 1740 CD1 LEU A 107 -0.027 0.460 -4.837 1.00 0.00 C ATOM 1741 CD2 LEU A 107 0.339 -0.845 -6.939 1.00 0.00 C ATOM 0 H LEU A 107 3.350 1.736 -6.588 1.00 0.00 H new ATOM 0 HA LEU A 107 1.675 0.754 -8.687 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.157 2.410 -6.195 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -0.112 1.809 -7.244 1.00 0.00 H new ATOM 0 HG LEU A 107 1.858 0.058 -5.747 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.047 -0.476 -4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.380 1.250 -4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.040 0.724 -5.140 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.314 -1.763 -6.353 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.665 -0.614 -7.295 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.005 -0.977 -7.792 1.00 0.00 H new ATOM 1753 N GLU A 108 0.874 2.733 -9.979 1.00 0.00 N ATOM 1754 CA GLU A 108 0.575 3.856 -10.859 1.00 0.00 C ATOM 1755 C GLU A 108 -0.907 4.215 -10.800 1.00 0.00 C ATOM 1756 O GLU A 108 -1.714 3.696 -11.572 1.00 0.00 O ATOM 1757 CB GLU A 108 0.973 3.525 -12.299 1.00 0.00 C ATOM 1758 CG GLU A 108 2.400 3.020 -12.435 1.00 0.00 C ATOM 1759 CD GLU A 108 2.998 3.321 -13.796 1.00 0.00 C ATOM 1760 OE1 GLU A 108 2.546 2.715 -14.790 1.00 0.00 O ATOM 1761 OE2 GLU A 108 3.918 4.162 -13.866 1.00 0.00 O ATOM 0 H GLU A 108 0.462 1.847 -10.271 1.00 0.00 H new ATOM 0 HA GLU A 108 1.153 4.715 -10.518 1.00 0.00 H new ATOM 0 HB2 GLU A 108 0.291 2.771 -12.692 1.00 0.00 H new ATOM 0 HB3 GLU A 108 0.852 4.416 -12.915 1.00 0.00 H new ATOM 0 HG2 GLU A 108 3.018 3.476 -11.662 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.418 1.944 -12.264 1.00 0.00 H new ATOM 1768 N LEU A 109 -1.258 5.104 -9.877 1.00 0.00 N ATOM 1769 CA LEU A 109 -2.643 5.533 -9.715 1.00 0.00 C ATOM 1770 C LEU A 109 -3.043 6.508 -10.817 1.00 0.00 C ATOM 1771 O LEU A 109 -2.331 7.473 -11.096 1.00 0.00 O ATOM 1772 CB LEU A 109 -2.838 6.184 -8.345 1.00 0.00 C ATOM 1773 CG LEU A 109 -2.100 5.529 -7.178 1.00 0.00 C ATOM 1774 CD1 LEU A 109 -2.294 6.334 -5.903 1.00 0.00 C ATOM 1775 CD2 LEU A 109 -2.574 4.096 -6.984 1.00 0.00 C ATOM 0 H LEU A 109 -0.603 5.542 -9.229 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.282 4.653 -9.786 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.520 7.225 -8.411 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.904 6.190 -8.117 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.036 5.510 -7.412 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.761 5.852 -5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.904 7.342 -6.046 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.356 6.387 -5.664 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.038 3.645 -6.149 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.643 4.092 -6.773 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.381 3.523 -7.891 1.00 0.00 H new ATOM 1787 N LYS A 110 -4.189 6.252 -11.440 1.00 0.00 N ATOM 1788 CA LYS A 110 -4.687 7.109 -12.509 1.00 0.00 C ATOM 1789 C LYS A 110 -6.068 7.660 -12.166 1.00 0.00 C ATOM 1790 O LYS A 110 -6.800 7.109 -11.343 1.00 0.00 O ATOM 1791 CB LYS A 110 -4.750 6.331 -13.826 1.00 0.00 C ATOM 1792 CG LYS A 110 -3.388 6.074 -14.446 1.00 0.00 C ATOM 1793 CD LYS A 110 -2.901 7.274 -15.240 1.00 0.00 C ATOM 1794 CE LYS A 110 -3.540 7.326 -16.619 1.00 0.00 C ATOM 1795 NZ LYS A 110 -2.909 6.359 -17.560 1.00 0.00 N ATOM 0 H LYS A 110 -4.790 5.457 -11.222 1.00 0.00 H new ATOM 0 HA LYS A 110 -3.998 7.946 -12.620 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.246 5.376 -13.651 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.365 6.884 -14.536 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.669 5.840 -13.661 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.443 5.203 -15.099 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.132 8.190 -14.696 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -1.817 7.229 -15.342 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -4.605 7.108 -16.534 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -3.452 8.335 -17.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -3.326 6.473 -18.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -1.886 6.539 -17.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.074 5.389 -17.223 1.00 0.00 H new ATOM 1809 N PRO A 111 -6.437 8.776 -12.811 1.00 0.00 N ATOM 1810 CA PRO A 111 -5.673 9.533 -13.807 1.00 0.00 C ATOM 1811 C PRO A 111 -4.472 10.247 -13.196 1.00 0.00 C ATOM 1812 O PRO A 111 -3.560 10.666 -13.908 1.00 0.00 O ATOM 1813 CB PRO A 111 -6.688 10.549 -14.335 1.00 0.00 C ATOM 1814 CG PRO A 111 -7.670 10.716 -13.227 1.00 0.00 C ATOM 1815 CD PRO A 111 -7.754 9.379 -12.544 1.00 0.00 C ATOM 0 HA PRO A 111 -5.256 8.886 -14.579 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -6.208 11.495 -14.584 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -7.173 10.189 -15.242 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -7.346 11.490 -12.531 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -8.644 11.020 -13.611 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.938 9.485 -11.475 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -8.564 8.771 -12.948 1.00 0.00 H new ATOM 1823 N GLN A 112 -4.480 10.382 -11.874 1.00 0.00 N ATOM 1824 CA GLN A 112 -3.390 11.047 -11.168 1.00 0.00 C ATOM 1825 C GLN A 112 -3.105 10.360 -9.837 1.00 0.00 C ATOM 1826 O GLN A 112 -3.958 9.660 -9.293 1.00 0.00 O ATOM 1827 CB GLN A 112 -3.730 12.520 -10.933 1.00 0.00 C ATOM 1828 CG GLN A 112 -4.867 12.732 -9.946 1.00 0.00 C ATOM 1829 CD GLN A 112 -5.462 14.123 -10.031 1.00 0.00 C ATOM 1830 OE1 GLN A 112 -6.679 14.287 -10.121 1.00 0.00 O ATOM 1831 NE2 GLN A 112 -4.604 15.137 -10.003 1.00 0.00 N ATOM 0 H GLN A 112 -5.228 10.040 -11.270 1.00 0.00 H new ATOM 0 HA GLN A 112 -2.496 10.982 -11.788 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -2.842 13.035 -10.568 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -3.996 12.979 -11.885 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -5.648 11.995 -10.133 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -4.501 12.559 -8.934 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -3.603 14.956 -9.928 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -4.946 16.096 -10.057 1.00 0.00 H new ATOM 1840 N GLY A 113 -1.898 10.565 -9.317 1.00 0.00 N ATOM 1841 CA GLY A 113 -1.522 9.958 -8.054 1.00 0.00 C ATOM 1842 C GLY A 113 -0.524 8.830 -8.228 1.00 0.00 C ATOM 1843 O GLY A 113 -0.545 8.124 -9.236 1.00 0.00 O ATOM 0 H GLY A 113 -1.175 11.140 -9.748 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.095 10.719 -7.401 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.414 9.576 -7.558 1.00 0.00 H new ATOM 1847 N ARG A 114 0.352 8.660 -7.243 1.00 0.00 N ATOM 1848 CA ARG A 114 1.364 7.612 -7.293 1.00 0.00 C ATOM 1849 C ARG A 114 1.919 7.326 -5.901 1.00 0.00 C ATOM 1850 O ARG A 114 2.219 8.246 -5.140 1.00 0.00 O ATOM 1851 CB ARG A 114 2.500 8.014 -8.234 1.00 0.00 C ATOM 1852 CG ARG A 114 3.280 9.231 -7.762 1.00 0.00 C ATOM 1853 CD ARG A 114 4.334 9.645 -8.777 1.00 0.00 C ATOM 1854 NE ARG A 114 5.508 8.778 -8.732 1.00 0.00 N ATOM 1855 CZ ARG A 114 6.542 8.897 -9.558 1.00 0.00 C ATOM 1856 NH1 ARG A 114 6.547 9.842 -10.487 1.00 0.00 N ATOM 1857 NH2 ARG A 114 7.574 8.070 -9.454 1.00 0.00 N ATOM 0 H ARG A 114 0.381 9.235 -6.401 1.00 0.00 H new ATOM 0 HA ARG A 114 0.893 6.705 -7.671 1.00 0.00 H new ATOM 0 HB2 ARG A 114 3.185 7.173 -8.342 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.087 8.218 -9.222 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.594 10.060 -7.590 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.759 9.010 -6.808 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.903 9.620 -9.778 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.636 10.675 -8.586 1.00 0.00 H new ATOM 0 HE ARG A 114 5.536 8.041 -8.028 1.00 0.00 H new ATOM 0 HH11 ARG A 114 5.756 10.480 -10.569 1.00 0.00 H new ATOM 0 HH12 ARG A 114 7.342 9.931 -11.120 1.00 0.00 H new ATOM 0 HH21 ARG A 114 7.574 7.342 -8.740 1.00 0.00 H new ATOM 0 HH22 ARG A 114 8.367 8.162 -10.089 1.00 0.00 H new ATOM 1871 N MET A 115 2.054 6.044 -5.575 1.00 0.00 N ATOM 1872 CA MET A 115 2.574 5.637 -4.274 1.00 0.00 C ATOM 1873 C MET A 115 3.441 4.389 -4.402 1.00 0.00 C ATOM 1874 O MET A 115 3.357 3.661 -5.392 1.00 0.00 O ATOM 1875 CB MET A 115 1.423 5.376 -3.300 1.00 0.00 C ATOM 1876 CG MET A 115 0.385 4.402 -3.833 1.00 0.00 C ATOM 1877 SD MET A 115 -0.792 3.882 -2.570 1.00 0.00 S ATOM 1878 CE MET A 115 -1.955 5.243 -2.610 1.00 0.00 C ATOM 0 H MET A 115 1.811 5.270 -6.193 1.00 0.00 H new ATOM 0 HA MET A 115 3.191 6.448 -3.887 1.00 0.00 H new ATOM 0 HB2 MET A 115 1.829 4.987 -2.366 1.00 0.00 H new ATOM 0 HB3 MET A 115 0.935 6.322 -3.065 1.00 0.00 H new ATOM 0 HG2 MET A 115 -0.155 4.868 -4.658 1.00 0.00 H new ATOM 0 HG3 MET A 115 0.890 3.524 -4.237 1.00 0.00 H new ATOM 0 HE1 MET A 115 -2.303 5.454 -1.599 1.00 0.00 H new ATOM 0 HE2 MET A 115 -1.466 6.128 -3.018 1.00 0.00 H new ATOM 0 HE3 MET A 115 -2.805 4.977 -3.238 1.00 0.00 H new ATOM 1888 N LEU A 116 4.274 4.148 -3.396 1.00 0.00 N ATOM 1889 CA LEU A 116 5.158 2.987 -3.396 1.00 0.00 C ATOM 1890 C LEU A 116 4.529 1.824 -2.635 1.00 0.00 C ATOM 1891 O LEU A 116 4.005 2.000 -1.536 1.00 0.00 O ATOM 1892 CB LEU A 116 6.507 3.348 -2.773 1.00 0.00 C ATOM 1893 CG LEU A 116 7.453 2.179 -2.496 1.00 0.00 C ATOM 1894 CD1 LEU A 116 7.867 1.507 -3.795 1.00 0.00 C ATOM 1895 CD2 LEU A 116 8.677 2.655 -1.726 1.00 0.00 C ATOM 0 H LEU A 116 4.356 4.741 -2.570 1.00 0.00 H new ATOM 0 HA LEU A 116 5.313 2.680 -4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 116 7.014 4.050 -3.435 1.00 0.00 H new ATOM 0 HB3 LEU A 116 6.323 3.871 -1.834 1.00 0.00 H new ATOM 0 HG LEU A 116 6.925 1.447 -1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 116 8.540 0.678 -3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.982 1.131 -4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.376 2.230 -4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 116 9.339 1.810 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 116 9.206 3.407 -2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 116 8.363 3.089 -0.777 1.00 0.00 H new ATOM 1907 N MET A 117 4.587 0.636 -3.228 1.00 0.00 N ATOM 1908 CA MET A 117 4.025 -0.557 -2.604 1.00 0.00 C ATOM 1909 C MET A 117 5.118 -1.579 -2.306 1.00 0.00 C ATOM 1910 O MET A 117 5.734 -2.127 -3.219 1.00 0.00 O ATOM 1911 CB MET A 117 2.961 -1.180 -3.510 1.00 0.00 C ATOM 1912 CG MET A 117 2.136 -2.257 -2.825 1.00 0.00 C ATOM 1913 SD MET A 117 0.991 -3.076 -3.952 1.00 0.00 S ATOM 1914 CE MET A 117 2.125 -4.051 -4.938 1.00 0.00 C ATOM 0 H MET A 117 5.017 0.474 -4.139 1.00 0.00 H new ATOM 0 HA MET A 117 3.561 -0.261 -1.663 1.00 0.00 H new ATOM 0 HB2 MET A 117 2.294 -0.395 -3.867 1.00 0.00 H new ATOM 0 HB3 MET A 117 3.447 -1.608 -4.386 1.00 0.00 H new ATOM 0 HG2 MET A 117 2.805 -2.999 -2.389 1.00 0.00 H new ATOM 0 HG3 MET A 117 1.575 -1.812 -2.003 1.00 0.00 H new ATOM 0 HE1 MET A 117 2.081 -3.721 -5.976 1.00 0.00 H new ATOM 0 HE2 MET A 117 3.139 -3.923 -4.559 1.00 0.00 H new ATOM 0 HE3 MET A 117 1.846 -5.103 -4.880 1.00 0.00 H new ATOM 1924 N ASN A 118 5.352 -1.831 -1.022 1.00 0.00 N ATOM 1925 CA ASN A 118 6.370 -2.788 -0.604 1.00 0.00 C ATOM 1926 C ASN A 118 5.731 -4.031 0.008 1.00 0.00 C ATOM 1927 O ASN A 118 5.235 -3.996 1.133 1.00 0.00 O ATOM 1928 CB ASN A 118 7.323 -2.142 0.404 1.00 0.00 C ATOM 1929 CG ASN A 118 8.506 -1.470 -0.267 1.00 0.00 C ATOM 1930 OD1 ASN A 118 9.652 -1.647 0.147 1.00 0.00 O ATOM 1931 ND2 ASN A 118 8.233 -0.695 -1.310 1.00 0.00 N ATOM 0 H ASN A 118 4.851 -1.386 -0.253 1.00 0.00 H new ATOM 0 HA ASN A 118 6.934 -3.089 -1.487 1.00 0.00 H new ATOM 0 HB2 ASN A 118 6.778 -1.406 0.995 1.00 0.00 H new ATOM 0 HB3 ASN A 118 7.685 -2.902 1.096 1.00 0.00 H new ATOM 0 HD21 ASN A 118 8.988 -0.218 -1.802 1.00 0.00 H new ATOM 0 HD22 ASN A 118 7.268 -0.577 -1.619 1.00 0.00 H new ATOM 1938 N ALA A 119 5.748 -5.128 -0.742 1.00 0.00 N ATOM 1939 CA ALA A 119 5.173 -6.383 -0.272 1.00 0.00 C ATOM 1940 C ALA A 119 6.252 -7.307 0.281 1.00 0.00 C ATOM 1941 O ALA A 119 7.296 -7.502 -0.342 1.00 0.00 O ATOM 1942 CB ALA A 119 4.414 -7.069 -1.398 1.00 0.00 C ATOM 0 H ALA A 119 6.153 -5.173 -1.677 1.00 0.00 H new ATOM 0 HA ALA A 119 4.477 -6.156 0.535 1.00 0.00 H new ATOM 0 HB1 ALA A 119 3.990 -8.005 -1.034 1.00 0.00 H new ATOM 0 HB2 ALA A 119 3.612 -6.418 -1.746 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.096 -7.277 -2.223 1.00 0.00 H new ATOM 1948 N ARG A 120 5.993 -7.875 1.455 1.00 0.00 N ATOM 1949 CA ARG A 120 6.943 -8.778 2.093 1.00 0.00 C ATOM 1950 C ARG A 120 6.357 -10.181 2.221 1.00 0.00 C ATOM 1951 O ARG A 120 5.144 -10.369 2.130 1.00 0.00 O ATOM 1952 CB ARG A 120 7.333 -8.249 3.474 1.00 0.00 C ATOM 1953 CG ARG A 120 8.147 -6.966 3.427 1.00 0.00 C ATOM 1954 CD ARG A 120 7.965 -6.144 4.694 1.00 0.00 C ATOM 1955 NE ARG A 120 8.883 -6.557 5.752 1.00 0.00 N ATOM 1956 CZ ARG A 120 10.192 -6.337 5.716 1.00 0.00 C ATOM 1957 NH1 ARG A 120 10.735 -5.711 4.680 1.00 0.00 N ATOM 1958 NH2 ARG A 120 10.962 -6.744 6.717 1.00 0.00 N ATOM 0 H ARG A 120 5.133 -7.726 1.983 1.00 0.00 H new ATOM 0 HA ARG A 120 7.834 -8.830 1.467 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.428 -8.074 4.056 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.906 -9.014 3.998 1.00 0.00 H new ATOM 0 HG2 ARG A 120 9.202 -7.208 3.297 1.00 0.00 H new ATOM 0 HG3 ARG A 120 7.847 -6.375 2.562 1.00 0.00 H new ATOM 0 HD2 ARG A 120 8.124 -5.090 4.468 1.00 0.00 H new ATOM 0 HD3 ARG A 120 6.938 -6.243 5.046 1.00 0.00 H new ATOM 0 HE ARG A 120 8.498 -7.041 6.563 1.00 0.00 H new ATOM 0 HH11 ARG A 120 10.147 -5.397 3.908 1.00 0.00 H new ATOM 0 HH12 ARG A 120 11.741 -5.543 4.655 1.00 0.00 H new ATOM 0 HH21 ARG A 120 10.548 -7.226 7.515 1.00 0.00 H new ATOM 0 HH22 ARG A 120 11.967 -6.575 6.688 1.00 0.00 H new ATOM 1972 N TYR A 121 7.227 -11.162 2.432 1.00 0.00 N ATOM 1973 CA TYR A 121 6.797 -12.549 2.570 1.00 0.00 C ATOM 1974 C TYR A 121 6.916 -13.015 4.018 1.00 0.00 C ATOM 1975 O TYR A 121 8.013 -13.085 4.572 1.00 0.00 O ATOM 1976 CB TYR A 121 7.628 -13.455 1.660 1.00 0.00 C ATOM 1977 CG TYR A 121 6.908 -14.717 1.241 1.00 0.00 C ATOM 1978 CD1 TYR A 121 5.902 -14.681 0.283 1.00 0.00 C ATOM 1979 CD2 TYR A 121 7.234 -15.945 1.802 1.00 0.00 C ATOM 1980 CE1 TYR A 121 5.241 -15.830 -0.102 1.00 0.00 C ATOM 1981 CE2 TYR A 121 6.579 -17.101 1.422 1.00 0.00 C ATOM 1982 CZ TYR A 121 5.583 -17.038 0.469 1.00 0.00 C ATOM 1983 OH TYR A 121 4.928 -18.186 0.087 1.00 0.00 O ATOM 0 H TYR A 121 8.234 -11.023 2.511 1.00 0.00 H new ATOM 0 HA TYR A 121 5.750 -12.610 2.273 1.00 0.00 H new ATOM 0 HB2 TYR A 121 7.914 -12.897 0.768 1.00 0.00 H new ATOM 0 HB3 TYR A 121 8.549 -13.726 2.175 1.00 0.00 H new ATOM 0 HD1 TYR A 121 5.633 -13.737 -0.168 1.00 0.00 H new ATOM 0 HD2 TYR A 121 8.013 -15.997 2.548 1.00 0.00 H new ATOM 0 HE1 TYR A 121 4.460 -15.783 -0.847 1.00 0.00 H new ATOM 0 HE2 TYR A 121 6.845 -18.048 1.868 1.00 0.00 H new ATOM 0 HH TYR A 121 5.290 -18.950 0.584 1.00 0.00 H new ATOM 1993 N PHE A 122 5.777 -13.334 4.625 1.00 0.00 N ATOM 1994 CA PHE A 122 5.752 -13.794 6.008 1.00 0.00 C ATOM 1995 C PHE A 122 4.691 -14.873 6.203 1.00 0.00 C ATOM 1996 O PHE A 122 3.627 -14.833 5.584 1.00 0.00 O ATOM 1997 CB PHE A 122 5.482 -12.621 6.953 1.00 0.00 C ATOM 1998 CG PHE A 122 6.552 -11.568 6.923 1.00 0.00 C ATOM 1999 CD1 PHE A 122 7.861 -11.881 7.254 1.00 0.00 C ATOM 2000 CD2 PHE A 122 6.251 -10.264 6.562 1.00 0.00 C ATOM 2001 CE1 PHE A 122 8.847 -10.914 7.228 1.00 0.00 C ATOM 2002 CE2 PHE A 122 7.234 -9.293 6.533 1.00 0.00 C ATOM 2003 CZ PHE A 122 8.534 -9.619 6.866 1.00 0.00 C ATOM 0 H PHE A 122 4.860 -13.282 4.181 1.00 0.00 H new ATOM 0 HA PHE A 122 6.727 -14.222 6.240 1.00 0.00 H new ATOM 0 HB2 PHE A 122 4.528 -12.165 6.690 1.00 0.00 H new ATOM 0 HB3 PHE A 122 5.385 -13.000 7.970 1.00 0.00 H new ATOM 0 HD1 PHE A 122 8.113 -12.893 7.536 1.00 0.00 H new ATOM 0 HD2 PHE A 122 5.236 -10.004 6.300 1.00 0.00 H new ATOM 0 HE1 PHE A 122 9.863 -11.171 7.491 1.00 0.00 H new ATOM 0 HE2 PHE A 122 6.986 -8.281 6.250 1.00 0.00 H new ATOM 0 HZ PHE A 122 9.304 -8.862 6.843 1.00 0.00 H new ATOM 2013 N LEU A 123 4.989 -15.837 7.068 1.00 0.00 N ATOM 2014 CA LEU A 123 4.062 -16.929 7.345 1.00 0.00 C ATOM 2015 C LEU A 123 3.347 -16.711 8.675 1.00 0.00 C ATOM 2016 O LEU A 123 3.717 -15.833 9.453 1.00 0.00 O ATOM 2017 CB LEU A 123 4.807 -18.264 7.366 1.00 0.00 C ATOM 2018 CG LEU A 123 4.731 -19.096 6.085 1.00 0.00 C ATOM 2019 CD1 LEU A 123 5.821 -18.677 5.111 1.00 0.00 C ATOM 2020 CD2 LEU A 123 4.841 -20.580 6.405 1.00 0.00 C ATOM 0 H LEU A 123 5.865 -15.884 7.589 1.00 0.00 H new ATOM 0 HA LEU A 123 3.316 -16.950 6.551 1.00 0.00 H new ATOM 0 HB2 LEU A 123 5.856 -18.068 7.586 1.00 0.00 H new ATOM 0 HB3 LEU A 123 4.415 -18.863 8.188 1.00 0.00 H new ATOM 0 HG LEU A 123 3.764 -18.917 5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 123 5.751 -19.280 4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 123 5.697 -17.624 4.857 1.00 0.00 H new ATOM 0 HD13 LEU A 123 6.798 -18.826 5.572 1.00 0.00 H new ATOM 0 HD21 LEU A 123 4.785 -21.156 5.482 1.00 0.00 H new ATOM 0 HD22 LEU A 123 5.793 -20.776 6.898 1.00 0.00 H new ATOM 0 HD23 LEU A 123 4.024 -20.871 7.065 1.00 0.00 H new