USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 508 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 254 THR OG1 : rot -0:sc= 1.05 USER MOD Set 1.2: A 285 HIS : no HE2:sc=-0.00284 K(o=1,f=-0.46) USER MOD Single : A 239 TYR OH : rot 180:sc= 0 USER MOD Single : A 244 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.16) USER MOD Single : A 245 LYS NZ :NH3+ 144:sc= -0.922 (180deg=-3.31!) USER MOD Single : A 249 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 251 TYR OH : rot 180:sc= 0 USER MOD Single : A 253 LYS NZ :NH3+ 166:sc= -0.0408 (180deg=-0.237) USER MOD Single : A 265 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 267 THR OG1 : rot 180:sc=0.000915 USER MOD Single : A 268 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 270 ASN : amide:sc= -2.51! C(o=-2.5!,f=-12!) USER MOD Single : A 272 SER OG : rot 180:sc= 0 USER MOD Single : A 274 GLN : amide:sc= -2.48 K(o=-2.5,f=-0.8) USER MOD Single : A 279 CYS SG : rot -150:sc= -6.38! USER MOD Single : A 280 ASN : amide:sc= -0.547 K(o=-0.55,f=0) USER MOD Single : A 282 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 289 THR OG1 : rot -28:sc= 0.222 USER MOD Single : A 290 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-0.78) USER MOD Single : A 296 GLN : amide:sc= -1.04 X(o=-1,f=-0.82) USER MOD Single : A 297 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 298 ASN : amide:sc= -0.0162 X(o=-0.016,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 236 12.421 -7.229 -2.160 1.00 0.00 N ATOM 2 CA GLY A 236 12.365 -6.671 -0.826 1.00 0.00 C ATOM 3 C GLY A 236 11.157 -5.775 -0.643 1.00 0.00 C ATOM 4 O GLY A 236 10.974 -4.818 -1.392 1.00 0.00 O ATOM 0 HA2 GLY A 236 12.333 -7.479 -0.095 1.00 0.00 H new ATOM 0 HA3 GLY A 236 13.274 -6.101 -0.632 1.00 0.00 H new ATOM 8 N PRO A 237 10.306 -6.075 0.340 1.00 0.00 N ATOM 9 CA PRO A 237 9.074 -5.332 0.591 1.00 0.00 C ATOM 10 C PRO A 237 9.290 -4.092 1.463 1.00 0.00 C ATOM 11 O PRO A 237 10.162 -4.081 2.335 1.00 0.00 O ATOM 12 CB PRO A 237 8.195 -6.356 1.334 1.00 0.00 C ATOM 13 CG PRO A 237 9.041 -7.578 1.542 1.00 0.00 C ATOM 14 CD PRO A 237 10.462 -7.171 1.289 1.00 0.00 C ATOM 0 HA PRO A 237 8.639 -4.950 -0.333 1.00 0.00 H new ATOM 0 HB2 PRO A 237 7.854 -5.954 2.288 1.00 0.00 H new ATOM 0 HB3 PRO A 237 7.304 -6.596 0.753 1.00 0.00 H new ATOM 0 HG2 PRO A 237 8.924 -7.961 2.556 1.00 0.00 H new ATOM 0 HG3 PRO A 237 8.741 -8.376 0.863 1.00 0.00 H new ATOM 0 HD2 PRO A 237 10.962 -6.850 2.203 1.00 0.00 H new ATOM 0 HD3 PRO A 237 11.051 -7.988 0.873 1.00 0.00 H new ATOM 22 N ILE A 238 8.492 -3.047 1.237 1.00 0.00 N ATOM 23 CA ILE A 238 8.559 -1.856 2.088 1.00 0.00 C ATOM 24 C ILE A 238 7.329 -1.789 2.985 1.00 0.00 C ATOM 25 O ILE A 238 6.325 -2.461 2.726 1.00 0.00 O ATOM 26 CB ILE A 238 8.673 -0.518 1.302 1.00 0.00 C ATOM 27 CG1 ILE A 238 7.306 0.050 0.911 1.00 0.00 C ATOM 28 CG2 ILE A 238 9.523 -0.689 0.063 1.00 0.00 C ATOM 29 CD1 ILE A 238 6.647 -0.704 -0.199 1.00 0.00 C ATOM 0 H ILE A 238 7.803 -2.999 0.486 1.00 0.00 H new ATOM 0 HA ILE A 238 9.474 -1.963 2.671 1.00 0.00 H new ATOM 0 HB ILE A 238 9.151 0.194 1.975 1.00 0.00 H new ATOM 0 HG12 ILE A 238 6.654 0.041 1.784 1.00 0.00 H new ATOM 0 HG13 ILE A 238 7.425 1.092 0.613 1.00 0.00 H new ATOM 0 HG21 ILE A 238 9.587 0.261 -0.468 1.00 0.00 H new ATOM 0 HG22 ILE A 238 10.524 -1.012 0.350 1.00 0.00 H new ATOM 0 HG23 ILE A 238 9.072 -1.439 -0.587 1.00 0.00 H new ATOM 0 HD11 ILE A 238 5.683 -0.249 -0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 238 7.280 -0.674 -1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 238 6.497 -1.740 0.104 1.00 0.00 H new ATOM 41 N TYR A 239 7.403 -0.980 4.029 1.00 0.00 N ATOM 42 CA TYR A 239 6.253 -0.738 4.882 1.00 0.00 C ATOM 43 C TYR A 239 5.653 0.607 4.524 1.00 0.00 C ATOM 44 O TYR A 239 6.324 1.626 4.625 1.00 0.00 O ATOM 45 CB TYR A 239 6.645 -0.724 6.362 1.00 0.00 C ATOM 46 CG TYR A 239 7.080 -2.060 6.917 1.00 0.00 C ATOM 47 CD1 TYR A 239 6.171 -3.099 7.094 1.00 0.00 C ATOM 48 CD2 TYR A 239 8.401 -2.276 7.285 1.00 0.00 C ATOM 49 CE1 TYR A 239 6.572 -4.312 7.616 1.00 0.00 C ATOM 50 CE2 TYR A 239 8.808 -3.488 7.806 1.00 0.00 C ATOM 51 CZ TYR A 239 7.891 -4.503 7.970 1.00 0.00 C ATOM 52 OH TYR A 239 8.296 -5.718 8.482 1.00 0.00 O ATOM 0 H TYR A 239 8.248 -0.480 4.306 1.00 0.00 H new ATOM 0 HA TYR A 239 5.534 -1.542 4.724 1.00 0.00 H new ATOM 0 HB2 TYR A 239 7.455 -0.008 6.502 1.00 0.00 H new ATOM 0 HB3 TYR A 239 5.797 -0.364 6.944 1.00 0.00 H new ATOM 0 HD1 TYR A 239 5.137 -2.954 6.819 1.00 0.00 H new ATOM 0 HD2 TYR A 239 9.123 -1.482 7.162 1.00 0.00 H new ATOM 0 HE1 TYR A 239 5.855 -5.109 7.747 1.00 0.00 H new ATOM 0 HE2 TYR A 239 9.841 -3.640 8.084 1.00 0.00 H new ATOM 0 HH TYR A 239 9.256 -5.687 8.679 1.00 0.00 H new ATOM 62 N ALA A 240 4.398 0.631 4.123 1.00 0.00 N ATOM 63 CA ALA A 240 3.781 1.882 3.722 1.00 0.00 C ATOM 64 C ALA A 240 2.677 2.257 4.692 1.00 0.00 C ATOM 65 O ALA A 240 1.678 1.554 4.830 1.00 0.00 O ATOM 66 CB ALA A 240 3.248 1.786 2.299 1.00 0.00 C ATOM 0 H ALA A 240 3.792 -0.187 4.066 1.00 0.00 H new ATOM 0 HA ALA A 240 4.537 2.667 3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 240 2.789 2.734 2.018 1.00 0.00 H new ATOM 0 HB2 ALA A 240 4.069 1.563 1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 240 2.504 0.992 2.242 1.00 0.00 H new ATOM 72 N ARG A 241 2.870 3.379 5.350 1.00 0.00 N ATOM 73 CA ARG A 241 1.968 3.855 6.376 1.00 0.00 C ATOM 74 C ARG A 241 0.818 4.612 5.735 1.00 0.00 C ATOM 75 O ARG A 241 0.990 5.722 5.241 1.00 0.00 O ATOM 76 CB ARG A 241 2.745 4.759 7.333 1.00 0.00 C ATOM 77 CG ARG A 241 2.226 4.746 8.766 1.00 0.00 C ATOM 78 CD ARG A 241 0.896 5.482 8.908 1.00 0.00 C ATOM 79 NE ARG A 241 1.094 6.922 9.087 1.00 0.00 N ATOM 80 CZ ARG A 241 0.328 7.692 9.862 1.00 0.00 C ATOM 81 NH1 ARG A 241 -0.636 7.152 10.598 1.00 0.00 N ATOM 82 NH2 ARG A 241 0.555 8.996 9.929 1.00 0.00 N ATOM 0 H ARG A 241 3.667 3.994 5.186 1.00 0.00 H new ATOM 0 HA ARG A 241 1.554 3.015 6.934 1.00 0.00 H new ATOM 0 HB2 ARG A 241 3.791 4.453 7.335 1.00 0.00 H new ATOM 0 HB3 ARG A 241 2.712 5.781 6.956 1.00 0.00 H new ATOM 0 HG2 ARG A 241 2.105 3.714 9.097 1.00 0.00 H new ATOM 0 HG3 ARG A 241 2.965 5.206 9.422 1.00 0.00 H new ATOM 0 HD2 ARG A 241 0.285 5.305 8.023 1.00 0.00 H new ATOM 0 HD3 ARG A 241 0.346 5.081 9.760 1.00 0.00 H new ATOM 0 HE ARG A 241 1.866 7.364 8.588 1.00 0.00 H new ATOM 0 HH11 ARG A 241 -0.794 6.145 10.572 1.00 0.00 H new ATOM 0 HH12 ARG A 241 -1.219 7.745 11.189 1.00 0.00 H new ATOM 0 HH21 ARG A 241 1.315 9.410 9.388 1.00 0.00 H new ATOM 0 HH22 ARG A 241 -0.030 9.586 10.521 1.00 0.00 H new ATOM 96 N VAL A 242 -0.348 4.005 5.732 1.00 0.00 N ATOM 97 CA VAL A 242 -1.501 4.603 5.095 1.00 0.00 C ATOM 98 C VAL A 242 -1.954 5.801 5.870 1.00 0.00 C ATOM 99 O VAL A 242 -2.092 5.731 7.083 1.00 0.00 O ATOM 100 CB VAL A 242 -2.682 3.638 5.001 1.00 0.00 C ATOM 101 CG1 VAL A 242 -3.694 4.153 4.008 1.00 0.00 C ATOM 102 CG2 VAL A 242 -2.188 2.280 4.610 1.00 0.00 C ATOM 0 H VAL A 242 -0.523 3.098 6.163 1.00 0.00 H new ATOM 0 HA VAL A 242 -1.188 4.878 4.088 1.00 0.00 H new ATOM 0 HB VAL A 242 -3.171 3.563 5.972 1.00 0.00 H new ATOM 0 HG11 VAL A 242 -4.532 3.458 3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 242 -4.055 5.130 4.330 1.00 0.00 H new ATOM 0 HG13 VAL A 242 -3.228 4.244 3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 242 -3.031 1.592 4.543 1.00 0.00 H new ATOM 0 HG22 VAL A 242 -1.690 2.339 3.642 1.00 0.00 H new ATOM 0 HG23 VAL A 242 -1.484 1.919 5.360 1.00 0.00 H new ATOM 112 N ILE A 243 -2.181 6.899 5.179 1.00 0.00 N ATOM 113 CA ILE A 243 -2.709 8.072 5.829 1.00 0.00 C ATOM 114 C ILE A 243 -4.016 8.506 5.191 1.00 0.00 C ATOM 115 O ILE A 243 -4.633 9.479 5.623 1.00 0.00 O ATOM 116 CB ILE A 243 -1.694 9.242 5.836 1.00 0.00 C ATOM 117 CG1 ILE A 243 -1.265 9.646 4.414 1.00 0.00 C ATOM 118 CG2 ILE A 243 -0.483 8.868 6.666 1.00 0.00 C ATOM 119 CD1 ILE A 243 -2.208 10.622 3.746 1.00 0.00 C ATOM 0 H ILE A 243 -2.009 7.000 4.179 1.00 0.00 H new ATOM 0 HA ILE A 243 -2.901 7.800 6.867 1.00 0.00 H new ATOM 0 HB ILE A 243 -2.188 10.106 6.280 1.00 0.00 H new ATOM 0 HG12 ILE A 243 -0.270 10.088 4.457 1.00 0.00 H new ATOM 0 HG13 ILE A 243 -1.189 8.749 3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 243 0.227 9.695 6.667 1.00 0.00 H new ATOM 0 HG22 ILE A 243 -0.794 8.656 7.689 1.00 0.00 H new ATOM 0 HG23 ILE A 243 -0.009 7.984 6.240 1.00 0.00 H new ATOM 0 HD11 ILE A 243 -1.839 10.859 2.748 1.00 0.00 H new ATOM 0 HD12 ILE A 243 -3.200 10.176 3.670 1.00 0.00 H new ATOM 0 HD13 ILE A 243 -2.266 11.535 4.338 1.00 0.00 H new ATOM 131 N GLN A 244 -4.438 7.767 4.168 1.00 0.00 N ATOM 132 CA GLN A 244 -5.618 8.127 3.398 1.00 0.00 C ATOM 133 C GLN A 244 -5.874 7.077 2.335 1.00 0.00 C ATOM 134 O GLN A 244 -5.256 7.091 1.275 1.00 0.00 O ATOM 135 CB GLN A 244 -5.435 9.494 2.739 1.00 0.00 C ATOM 136 CG GLN A 244 -6.662 9.987 1.989 1.00 0.00 C ATOM 137 CD GLN A 244 -7.895 10.060 2.868 1.00 0.00 C ATOM 138 OE1 GLN A 244 -8.673 9.106 2.956 1.00 0.00 O ATOM 139 NE2 GLN A 244 -8.066 11.182 3.543 1.00 0.00 N ATOM 0 H GLN A 244 -3.976 6.913 3.855 1.00 0.00 H new ATOM 0 HA GLN A 244 -6.472 8.178 4.073 1.00 0.00 H new ATOM 0 HB2 GLN A 244 -5.173 10.223 3.505 1.00 0.00 H new ATOM 0 HB3 GLN A 244 -4.595 9.443 2.047 1.00 0.00 H new ATOM 0 HG2 GLN A 244 -6.457 10.974 1.575 1.00 0.00 H new ATOM 0 HG3 GLN A 244 -6.860 9.323 1.148 1.00 0.00 H new ATOM 0 HE21 GLN A 244 -7.398 11.946 3.440 1.00 0.00 H new ATOM 0 HE22 GLN A 244 -8.866 11.285 4.167 1.00 0.00 H new ATOM 148 N LYS A 245 -6.733 6.137 2.632 1.00 0.00 N ATOM 149 CA LYS A 245 -7.085 5.128 1.661 1.00 0.00 C ATOM 150 C LYS A 245 -8.540 4.717 1.832 1.00 0.00 C ATOM 151 O LYS A 245 -9.164 4.992 2.859 1.00 0.00 O ATOM 152 CB LYS A 245 -6.136 3.931 1.763 1.00 0.00 C ATOM 153 CG LYS A 245 -5.299 3.671 0.506 1.00 0.00 C ATOM 154 CD LYS A 245 -3.858 3.308 0.878 1.00 0.00 C ATOM 155 CE LYS A 245 -3.188 2.377 -0.131 1.00 0.00 C ATOM 156 NZ LYS A 245 -1.772 2.083 0.234 1.00 0.00 N ATOM 0 H LYS A 245 -7.201 6.047 3.534 1.00 0.00 H new ATOM 0 HA LYS A 245 -6.976 5.544 0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 245 -5.463 4.089 2.606 1.00 0.00 H new ATOM 0 HB3 LYS A 245 -6.721 3.038 1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 245 -5.745 2.862 -0.072 1.00 0.00 H new ATOM 0 HG3 LYS A 245 -5.303 4.557 -0.129 1.00 0.00 H new ATOM 0 HD2 LYS A 245 -3.271 4.223 0.963 1.00 0.00 H new ATOM 0 HD3 LYS A 245 -3.852 2.833 1.859 1.00 0.00 H new ATOM 0 HE2 LYS A 245 -3.748 1.444 -0.191 1.00 0.00 H new ATOM 0 HE3 LYS A 245 -3.220 2.832 -1.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 245 -1.545 1.100 -0.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 245 -1.140 2.728 -0.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 245 -1.642 2.216 1.257 1.00 0.00 H new ATOM 170 N ARG A 246 -9.061 4.083 0.805 1.00 0.00 N ATOM 171 CA ARG A 246 -10.454 3.697 0.715 1.00 0.00 C ATOM 172 C ARG A 246 -10.610 2.245 1.182 1.00 0.00 C ATOM 173 O ARG A 246 -9.624 1.611 1.551 1.00 0.00 O ATOM 174 CB ARG A 246 -10.863 3.908 -0.759 1.00 0.00 C ATOM 175 CG ARG A 246 -11.957 3.006 -1.291 1.00 0.00 C ATOM 176 CD ARG A 246 -12.210 3.275 -2.761 1.00 0.00 C ATOM 177 NE ARG A 246 -13.319 2.487 -3.284 1.00 0.00 N ATOM 178 CZ ARG A 246 -14.167 2.930 -4.208 1.00 0.00 C ATOM 179 NH1 ARG A 246 -14.050 4.163 -4.687 1.00 0.00 N ATOM 180 NH2 ARG A 246 -15.138 2.141 -4.645 1.00 0.00 N ATOM 0 H ARG A 246 -8.514 3.814 -0.013 1.00 0.00 H new ATOM 0 HA ARG A 246 -11.104 4.291 1.357 1.00 0.00 H new ATOM 0 HB2 ARG A 246 -11.185 4.942 -0.879 1.00 0.00 H new ATOM 0 HB3 ARG A 246 -9.978 3.775 -1.381 1.00 0.00 H new ATOM 0 HG2 ARG A 246 -11.674 1.963 -1.151 1.00 0.00 H new ATOM 0 HG3 ARG A 246 -12.874 3.166 -0.724 1.00 0.00 H new ATOM 0 HD2 ARG A 246 -12.421 4.335 -2.903 1.00 0.00 H new ATOM 0 HD3 ARG A 246 -11.308 3.051 -3.330 1.00 0.00 H new ATOM 0 HE ARG A 246 -13.452 1.543 -2.921 1.00 0.00 H new ATOM 0 HH11 ARG A 246 -13.308 4.774 -4.346 1.00 0.00 H new ATOM 0 HH12 ARG A 246 -14.702 4.499 -5.396 1.00 0.00 H new ATOM 0 HH21 ARG A 246 -15.234 1.196 -4.273 1.00 0.00 H new ATOM 0 HH22 ARG A 246 -15.789 2.479 -5.354 1.00 0.00 H new ATOM 194 N VAL A 247 -11.830 1.712 1.177 1.00 0.00 N ATOM 195 CA VAL A 247 -12.048 0.299 1.476 1.00 0.00 C ATOM 196 C VAL A 247 -12.389 -0.483 0.198 1.00 0.00 C ATOM 197 O VAL A 247 -13.521 -0.925 -0.013 1.00 0.00 O ATOM 198 CB VAL A 247 -13.147 0.100 2.542 1.00 0.00 C ATOM 199 CG1 VAL A 247 -12.625 0.511 3.909 1.00 0.00 C ATOM 200 CG2 VAL A 247 -14.404 0.891 2.196 1.00 0.00 C ATOM 0 H VAL A 247 -12.680 2.236 0.970 1.00 0.00 H new ATOM 0 HA VAL A 247 -11.117 -0.092 1.887 1.00 0.00 H new ATOM 0 HB VAL A 247 -13.413 -0.957 2.563 1.00 0.00 H new ATOM 0 HG11 VAL A 247 -13.407 0.367 4.655 1.00 0.00 H new ATOM 0 HG12 VAL A 247 -11.760 -0.100 4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 247 -12.333 1.561 3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 247 -15.159 0.730 2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 247 -14.162 1.952 2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 247 -14.791 0.557 1.233 1.00 0.00 H new ATOM 210 N PRO A 248 -11.392 -0.636 -0.683 1.00 0.00 N ATOM 211 CA PRO A 248 -11.502 -1.314 -1.954 1.00 0.00 C ATOM 212 C PRO A 248 -11.051 -2.765 -1.850 1.00 0.00 C ATOM 213 O PRO A 248 -9.988 -3.055 -1.309 1.00 0.00 O ATOM 214 CB PRO A 248 -10.532 -0.506 -2.833 1.00 0.00 C ATOM 215 CG PRO A 248 -9.700 0.312 -1.885 1.00 0.00 C ATOM 216 CD PRO A 248 -10.034 -0.176 -0.516 1.00 0.00 C ATOM 0 HA PRO A 248 -12.522 -1.357 -2.337 1.00 0.00 H new ATOM 0 HB2 PRO A 248 -9.905 -1.167 -3.432 1.00 0.00 H new ATOM 0 HB3 PRO A 248 -11.076 0.134 -3.528 1.00 0.00 H new ATOM 0 HG2 PRO A 248 -8.637 0.190 -2.094 1.00 0.00 H new ATOM 0 HG3 PRO A 248 -9.925 1.374 -1.986 1.00 0.00 H new ATOM 0 HD2 PRO A 248 -9.369 -0.977 -0.195 1.00 0.00 H new ATOM 0 HD3 PRO A 248 -9.961 0.617 0.229 1.00 0.00 H new ATOM 224 N ASN A 249 -11.845 -3.670 -2.367 1.00 0.00 N ATOM 225 CA ASN A 249 -11.511 -5.085 -2.293 1.00 0.00 C ATOM 226 C ASN A 249 -10.745 -5.519 -3.533 1.00 0.00 C ATOM 227 O ASN A 249 -10.503 -4.714 -4.435 1.00 0.00 O ATOM 228 CB ASN A 249 -12.763 -5.949 -2.127 1.00 0.00 C ATOM 229 CG ASN A 249 -13.496 -5.678 -0.830 1.00 0.00 C ATOM 230 OD1 ASN A 249 -13.169 -6.246 0.210 1.00 0.00 O ATOM 231 ND2 ASN A 249 -14.508 -4.828 -0.892 1.00 0.00 N ATOM 0 H ASN A 249 -12.723 -3.462 -2.842 1.00 0.00 H new ATOM 0 HA ASN A 249 -10.881 -5.226 -1.415 1.00 0.00 H new ATOM 0 HB2 ASN A 249 -13.437 -5.768 -2.964 1.00 0.00 H new ATOM 0 HB3 ASN A 249 -12.481 -7.001 -2.166 1.00 0.00 H new ATOM 0 HD21 ASN A 249 -15.052 -4.621 -0.055 1.00 0.00 H new ATOM 0 HD22 ASN A 249 -14.744 -4.379 -1.777 1.00 0.00 H new ATOM 238 N ALA A 250 -10.348 -6.785 -3.574 1.00 0.00 N ATOM 239 CA ALA A 250 -9.715 -7.352 -4.762 1.00 0.00 C ATOM 240 C ALA A 250 -10.649 -7.266 -5.977 1.00 0.00 C ATOM 241 O ALA A 250 -10.258 -7.546 -7.103 1.00 0.00 O ATOM 242 CB ALA A 250 -9.316 -8.797 -4.507 1.00 0.00 C ATOM 0 H ALA A 250 -10.452 -7.440 -2.799 1.00 0.00 H new ATOM 0 HA ALA A 250 -8.819 -6.770 -4.980 1.00 0.00 H new ATOM 0 HB1 ALA A 250 -8.845 -9.208 -5.400 1.00 0.00 H new ATOM 0 HB2 ALA A 250 -8.613 -8.839 -3.675 1.00 0.00 H new ATOM 0 HB3 ALA A 250 -10.203 -9.382 -4.263 1.00 0.00 H new ATOM 248 N TYR A 251 -11.887 -6.870 -5.732 1.00 0.00 N ATOM 249 CA TYR A 251 -12.871 -6.697 -6.792 1.00 0.00 C ATOM 250 C TYR A 251 -12.856 -5.258 -7.291 1.00 0.00 C ATOM 251 O TYR A 251 -13.492 -4.923 -8.290 1.00 0.00 O ATOM 252 CB TYR A 251 -14.274 -7.039 -6.289 1.00 0.00 C ATOM 253 CG TYR A 251 -14.445 -8.471 -5.843 1.00 0.00 C ATOM 254 CD1 TYR A 251 -13.867 -8.924 -4.666 1.00 0.00 C ATOM 255 CD2 TYR A 251 -15.197 -9.364 -6.591 1.00 0.00 C ATOM 256 CE1 TYR A 251 -14.031 -10.228 -4.247 1.00 0.00 C ATOM 257 CE2 TYR A 251 -15.364 -10.670 -6.180 1.00 0.00 C ATOM 258 CZ TYR A 251 -14.780 -11.096 -5.008 1.00 0.00 C ATOM 259 OH TYR A 251 -14.951 -12.396 -4.591 1.00 0.00 O ATOM 0 H TYR A 251 -12.239 -6.660 -4.798 1.00 0.00 H new ATOM 0 HA TYR A 251 -12.611 -7.371 -7.608 1.00 0.00 H new ATOM 0 HB2 TYR A 251 -14.519 -6.380 -5.456 1.00 0.00 H new ATOM 0 HB3 TYR A 251 -14.992 -6.830 -7.082 1.00 0.00 H new ATOM 0 HD1 TYR A 251 -13.279 -8.244 -4.068 1.00 0.00 H new ATOM 0 HD2 TYR A 251 -15.659 -9.032 -7.509 1.00 0.00 H new ATOM 0 HE1 TYR A 251 -13.575 -10.565 -3.328 1.00 0.00 H new ATOM 0 HE2 TYR A 251 -15.950 -11.355 -6.775 1.00 0.00 H new ATOM 0 HH TYR A 251 -15.506 -12.877 -5.240 1.00 0.00 H new ATOM 269 N ASP A 252 -12.114 -4.409 -6.596 1.00 0.00 N ATOM 270 CA ASP A 252 -12.106 -2.982 -6.897 1.00 0.00 C ATOM 271 C ASP A 252 -10.825 -2.621 -7.614 1.00 0.00 C ATOM 272 O ASP A 252 -9.982 -1.908 -7.075 1.00 0.00 O ATOM 273 CB ASP A 252 -12.258 -2.145 -5.622 1.00 0.00 C ATOM 274 CG ASP A 252 -13.671 -2.165 -5.070 1.00 0.00 C ATOM 275 OD1 ASP A 252 -14.627 -1.998 -5.858 1.00 0.00 O ATOM 276 OD2 ASP A 252 -13.834 -2.327 -3.842 1.00 0.00 O ATOM 0 H ASP A 252 -11.510 -4.681 -5.821 1.00 0.00 H new ATOM 0 HA ASP A 252 -12.956 -2.760 -7.542 1.00 0.00 H new ATOM 0 HB2 ASP A 252 -11.571 -2.520 -4.863 1.00 0.00 H new ATOM 0 HB3 ASP A 252 -11.970 -1.115 -5.833 1.00 0.00 H new ATOM 281 N LYS A 253 -10.683 -3.136 -8.835 1.00 0.00 N ATOM 282 CA LYS A 253 -9.440 -3.011 -9.591 1.00 0.00 C ATOM 283 C LYS A 253 -8.314 -3.689 -8.819 1.00 0.00 C ATOM 284 O LYS A 253 -7.140 -3.372 -8.990 1.00 0.00 O ATOM 285 CB LYS A 253 -9.092 -1.537 -9.875 1.00 0.00 C ATOM 286 CG LYS A 253 -9.933 -0.892 -10.976 1.00 0.00 C ATOM 287 CD LYS A 253 -11.389 -0.697 -10.572 1.00 0.00 C ATOM 288 CE LYS A 253 -11.548 0.343 -9.473 1.00 0.00 C ATOM 289 NZ LYS A 253 -11.116 1.696 -9.914 1.00 0.00 N ATOM 0 H LYS A 253 -11.419 -3.646 -9.323 1.00 0.00 H new ATOM 0 HA LYS A 253 -9.570 -3.501 -10.556 1.00 0.00 H new ATOM 0 HB2 LYS A 253 -9.216 -0.963 -8.956 1.00 0.00 H new ATOM 0 HB3 LYS A 253 -8.040 -1.471 -10.152 1.00 0.00 H new ATOM 0 HG2 LYS A 253 -9.501 0.074 -11.237 1.00 0.00 H new ATOM 0 HG3 LYS A 253 -9.889 -1.513 -11.871 1.00 0.00 H new ATOM 0 HD2 LYS A 253 -11.968 -0.393 -11.444 1.00 0.00 H new ATOM 0 HD3 LYS A 253 -11.800 -1.648 -10.232 1.00 0.00 H new ATOM 0 HE2 LYS A 253 -12.591 0.381 -9.159 1.00 0.00 H new ATOM 0 HE3 LYS A 253 -10.964 0.042 -8.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 253 -11.455 2.407 -9.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 253 -10.078 1.731 -9.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 253 -11.513 1.898 -10.854 1.00 0.00 H new ATOM 303 N THR A 254 -8.720 -4.629 -7.960 1.00 0.00 N ATOM 304 CA THR A 254 -7.829 -5.364 -7.075 1.00 0.00 C ATOM 305 C THR A 254 -6.963 -4.407 -6.256 1.00 0.00 C ATOM 306 O THR A 254 -5.741 -4.355 -6.397 1.00 0.00 O ATOM 307 CB THR A 254 -6.947 -6.386 -7.826 1.00 0.00 C ATOM 308 OG1 THR A 254 -5.984 -5.729 -8.657 1.00 0.00 O ATOM 309 CG2 THR A 254 -7.781 -7.313 -8.692 1.00 0.00 C ATOM 0 H THR A 254 -9.698 -4.901 -7.863 1.00 0.00 H new ATOM 0 HA THR A 254 -8.466 -5.933 -6.398 1.00 0.00 H new ATOM 0 HB THR A 254 -6.433 -6.971 -7.063 1.00 0.00 H new ATOM 0 HG1 THR A 254 -6.094 -4.758 -8.581 1.00 0.00 H new ATOM 0 HG21 THR A 254 -7.127 -8.018 -9.205 1.00 0.00 H new ATOM 0 HG22 THR A 254 -8.485 -7.861 -8.066 1.00 0.00 H new ATOM 0 HG23 THR A 254 -8.331 -6.727 -9.428 1.00 0.00 H new ATOM 317 N ALA A 255 -7.610 -3.645 -5.399 1.00 0.00 N ATOM 318 CA ALA A 255 -6.922 -2.629 -4.624 1.00 0.00 C ATOM 319 C ALA A 255 -6.838 -3.014 -3.150 1.00 0.00 C ATOM 320 O ALA A 255 -7.599 -3.854 -2.676 1.00 0.00 O ATOM 321 CB ALA A 255 -7.629 -1.303 -4.797 1.00 0.00 C ATOM 0 H ALA A 255 -8.612 -3.709 -5.220 1.00 0.00 H new ATOM 0 HA ALA A 255 -5.899 -2.542 -4.991 1.00 0.00 H new ATOM 0 HB1 ALA A 255 -7.114 -0.538 -4.216 1.00 0.00 H new ATOM 0 HB2 ALA A 255 -7.624 -1.023 -5.850 1.00 0.00 H new ATOM 0 HB3 ALA A 255 -8.658 -1.391 -4.450 1.00 0.00 H new ATOM 327 N LEU A 256 -5.874 -2.414 -2.447 1.00 0.00 N ATOM 328 CA LEU A 256 -5.718 -2.625 -1.003 1.00 0.00 C ATOM 329 C LEU A 256 -6.890 -2.030 -0.239 1.00 0.00 C ATOM 330 O LEU A 256 -7.200 -0.855 -0.413 1.00 0.00 O ATOM 331 CB LEU A 256 -4.455 -1.944 -0.461 1.00 0.00 C ATOM 332 CG LEU A 256 -3.223 -2.809 -0.227 1.00 0.00 C ATOM 333 CD1 LEU A 256 -3.551 -4.009 0.645 1.00 0.00 C ATOM 334 CD2 LEU A 256 -2.643 -3.245 -1.530 1.00 0.00 C ATOM 0 H LEU A 256 -5.189 -1.777 -2.854 1.00 0.00 H new ATOM 0 HA LEU A 256 -5.659 -3.704 -0.862 1.00 0.00 H new ATOM 0 HB2 LEU A 256 -4.179 -1.150 -1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 256 -4.712 -1.466 0.484 1.00 0.00 H new ATOM 0 HG LEU A 256 -2.482 -2.209 0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 256 -2.652 -4.607 0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 256 -3.923 -3.666 1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 256 -4.314 -4.616 0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 256 -1.763 -3.862 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 256 -3.384 -3.823 -2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 256 -2.357 -2.369 -2.112 1.00 0.00 H new ATOM 346 N ALA A 257 -7.506 -2.818 0.623 1.00 0.00 N ATOM 347 CA ALA A 257 -8.538 -2.315 1.510 1.00 0.00 C ATOM 348 C ALA A 257 -7.931 -1.891 2.840 1.00 0.00 C ATOM 349 O ALA A 257 -7.670 -2.715 3.720 1.00 0.00 O ATOM 350 CB ALA A 257 -9.616 -3.357 1.699 1.00 0.00 C ATOM 0 H ALA A 257 -7.308 -3.813 0.728 1.00 0.00 H new ATOM 0 HA ALA A 257 -8.999 -1.435 1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 257 -10.385 -2.968 2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 257 -10.062 -3.599 0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 257 -9.180 -4.257 2.133 1.00 0.00 H new ATOM 356 N LEU A 258 -7.696 -0.596 2.951 1.00 0.00 N ATOM 357 CA LEU A 258 -6.993 -0.004 4.098 1.00 0.00 C ATOM 358 C LEU A 258 -7.306 1.490 4.185 1.00 0.00 C ATOM 359 O LEU A 258 -7.785 2.065 3.226 1.00 0.00 O ATOM 360 CB LEU A 258 -5.473 -0.227 3.966 1.00 0.00 C ATOM 361 CG LEU A 258 -4.965 -0.498 2.553 1.00 0.00 C ATOM 362 CD1 LEU A 258 -5.407 0.586 1.597 1.00 0.00 C ATOM 363 CD2 LEU A 258 -3.459 -0.596 2.548 1.00 0.00 C ATOM 0 H LEU A 258 -7.985 0.086 2.250 1.00 0.00 H new ATOM 0 HA LEU A 258 -7.335 -0.489 5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 258 -4.960 0.653 4.354 1.00 0.00 H new ATOM 0 HB3 LEU A 258 -5.191 -1.067 4.601 1.00 0.00 H new ATOM 0 HG LEU A 258 -5.390 -1.445 2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 258 -5.030 0.366 0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 258 -6.496 0.628 1.573 1.00 0.00 H new ATOM 0 HD13 LEU A 258 -5.014 1.547 1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 258 -3.110 -0.790 1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 258 -3.032 0.341 2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 258 -3.145 -1.410 3.201 1.00 0.00 H new ATOM 375 N GLU A 259 -7.024 2.124 5.315 1.00 0.00 N ATOM 376 CA GLU A 259 -7.453 3.500 5.525 1.00 0.00 C ATOM 377 C GLU A 259 -6.415 4.308 6.304 1.00 0.00 C ATOM 378 O GLU A 259 -5.282 3.868 6.480 1.00 0.00 O ATOM 379 CB GLU A 259 -8.792 3.508 6.259 1.00 0.00 C ATOM 380 CG GLU A 259 -8.699 3.198 7.743 1.00 0.00 C ATOM 381 CD GLU A 259 -10.061 3.192 8.404 1.00 0.00 C ATOM 382 OE1 GLU A 259 -10.642 4.280 8.584 1.00 0.00 O ATOM 383 OE2 GLU A 259 -10.568 2.096 8.727 1.00 0.00 O ATOM 0 H GLU A 259 -6.506 1.714 6.092 1.00 0.00 H new ATOM 0 HA GLU A 259 -7.564 3.974 4.550 1.00 0.00 H new ATOM 0 HB2 GLU A 259 -9.255 4.487 6.134 1.00 0.00 H new ATOM 0 HB3 GLU A 259 -9.454 2.780 5.789 1.00 0.00 H new ATOM 0 HG2 GLU A 259 -8.224 2.227 7.882 1.00 0.00 H new ATOM 0 HG3 GLU A 259 -8.063 3.937 8.229 1.00 0.00 H new ATOM 390 N VAL A 260 -6.811 5.488 6.769 1.00 0.00 N ATOM 391 CA VAL A 260 -5.925 6.367 7.530 1.00 0.00 C ATOM 392 C VAL A 260 -5.303 5.672 8.748 1.00 0.00 C ATOM 393 O VAL A 260 -6.006 5.132 9.601 1.00 0.00 O ATOM 394 CB VAL A 260 -6.663 7.633 8.018 1.00 0.00 C ATOM 395 CG1 VAL A 260 -5.723 8.532 8.807 1.00 0.00 C ATOM 396 CG2 VAL A 260 -7.272 8.393 6.850 1.00 0.00 C ATOM 0 H VAL A 260 -7.750 5.862 6.631 1.00 0.00 H new ATOM 0 HA VAL A 260 -5.129 6.642 6.838 1.00 0.00 H new ATOM 0 HB VAL A 260 -7.472 7.317 8.676 1.00 0.00 H new ATOM 0 HG11 VAL A 260 -6.262 9.418 9.142 1.00 0.00 H new ATOM 0 HG12 VAL A 260 -5.343 7.990 9.673 1.00 0.00 H new ATOM 0 HG13 VAL A 260 -4.889 8.833 8.173 1.00 0.00 H new ATOM 0 HG21 VAL A 260 -7.786 9.280 7.221 1.00 0.00 H new ATOM 0 HG22 VAL A 260 -6.483 8.693 6.160 1.00 0.00 H new ATOM 0 HG23 VAL A 260 -7.984 7.752 6.331 1.00 0.00 H new ATOM 406 N GLY A 261 -3.976 5.673 8.789 1.00 0.00 N ATOM 407 CA GLY A 261 -3.240 5.249 9.966 1.00 0.00 C ATOM 408 C GLY A 261 -2.679 3.855 9.831 1.00 0.00 C ATOM 409 O GLY A 261 -2.004 3.358 10.732 1.00 0.00 O ATOM 0 H GLY A 261 -3.386 5.967 8.010 1.00 0.00 H new ATOM 0 HA2 GLY A 261 -2.424 5.948 10.151 1.00 0.00 H new ATOM 0 HA3 GLY A 261 -3.897 5.289 10.835 1.00 0.00 H new ATOM 413 N GLU A 262 -2.948 3.230 8.704 1.00 0.00 N ATOM 414 CA GLU A 262 -2.678 1.811 8.543 1.00 0.00 C ATOM 415 C GLU A 262 -1.256 1.535 8.085 1.00 0.00 C ATOM 416 O GLU A 262 -0.428 2.440 7.986 1.00 0.00 O ATOM 417 CB GLU A 262 -3.660 1.205 7.555 1.00 0.00 C ATOM 418 CG GLU A 262 -5.097 1.286 8.041 1.00 0.00 C ATOM 419 CD GLU A 262 -5.909 0.079 7.629 1.00 0.00 C ATOM 420 OE1 GLU A 262 -5.319 -1.009 7.480 1.00 0.00 O ATOM 421 OE2 GLU A 262 -7.141 0.206 7.480 1.00 0.00 O ATOM 0 H GLU A 262 -3.354 3.680 7.883 1.00 0.00 H new ATOM 0 HA GLU A 262 -2.799 1.350 9.523 1.00 0.00 H new ATOM 0 HB2 GLU A 262 -3.573 1.721 6.599 1.00 0.00 H new ATOM 0 HB3 GLU A 262 -3.397 0.162 7.380 1.00 0.00 H new ATOM 0 HG2 GLU A 262 -5.107 1.374 9.127 1.00 0.00 H new ATOM 0 HG3 GLU A 262 -5.563 2.188 7.644 1.00 0.00 H new ATOM 428 N LEU A 263 -0.986 0.267 7.819 1.00 0.00 N ATOM 429 CA LEU A 263 0.309 -0.160 7.325 1.00 0.00 C ATOM 430 C LEU A 263 0.122 -1.232 6.258 1.00 0.00 C ATOM 431 O LEU A 263 -0.579 -2.224 6.466 1.00 0.00 O ATOM 432 CB LEU A 263 1.179 -0.680 8.484 1.00 0.00 C ATOM 433 CG LEU A 263 2.655 -0.985 8.155 1.00 0.00 C ATOM 434 CD1 LEU A 263 2.798 -2.285 7.375 1.00 0.00 C ATOM 435 CD2 LEU A 263 3.281 0.173 7.392 1.00 0.00 C ATOM 0 H LEU A 263 -1.657 -0.491 7.940 1.00 0.00 H new ATOM 0 HA LEU A 263 0.822 0.691 6.877 1.00 0.00 H new ATOM 0 HB2 LEU A 263 1.154 0.057 9.287 1.00 0.00 H new ATOM 0 HB3 LEU A 263 0.721 -1.590 8.872 1.00 0.00 H new ATOM 0 HG LEU A 263 3.187 -1.109 9.098 1.00 0.00 H new ATOM 0 HD11 LEU A 263 3.851 -2.467 7.161 1.00 0.00 H new ATOM 0 HD12 LEU A 263 2.400 -3.110 7.966 1.00 0.00 H new ATOM 0 HD13 LEU A 263 2.245 -2.210 6.438 1.00 0.00 H new ATOM 0 HD21 LEU A 263 4.322 -0.059 7.168 1.00 0.00 H new ATOM 0 HD22 LEU A 263 2.737 0.332 6.461 1.00 0.00 H new ATOM 0 HD23 LEU A 263 3.233 1.077 7.999 1.00 0.00 H new ATOM 447 N VAL A 264 0.749 -1.019 5.117 1.00 0.00 N ATOM 448 CA VAL A 264 0.710 -1.972 4.031 1.00 0.00 C ATOM 449 C VAL A 264 2.124 -2.311 3.574 1.00 0.00 C ATOM 450 O VAL A 264 2.863 -1.453 3.096 1.00 0.00 O ATOM 451 CB VAL A 264 -0.138 -1.455 2.842 1.00 0.00 C ATOM 452 CG1 VAL A 264 0.254 -0.039 2.447 1.00 0.00 C ATOM 453 CG2 VAL A 264 -0.017 -2.384 1.648 1.00 0.00 C ATOM 0 H VAL A 264 1.298 -0.182 4.920 1.00 0.00 H new ATOM 0 HA VAL A 264 0.231 -2.878 4.402 1.00 0.00 H new ATOM 0 HB VAL A 264 -1.177 -1.437 3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 264 -0.362 0.289 1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 264 0.102 0.630 3.294 1.00 0.00 H new ATOM 0 HG13 VAL A 264 1.304 -0.020 2.154 1.00 0.00 H new ATOM 0 HG21 VAL A 264 -0.621 -2.000 0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 264 1.026 -2.442 1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 264 -0.369 -3.378 1.923 1.00 0.00 H new ATOM 463 N LYS A 265 2.500 -3.564 3.755 1.00 0.00 N ATOM 464 CA LYS A 265 3.804 -4.045 3.342 1.00 0.00 C ATOM 465 C LYS A 265 3.713 -4.547 1.908 1.00 0.00 C ATOM 466 O LYS A 265 3.216 -5.643 1.658 1.00 0.00 O ATOM 467 CB LYS A 265 4.263 -5.170 4.277 1.00 0.00 C ATOM 468 CG LYS A 265 5.646 -5.721 3.968 1.00 0.00 C ATOM 469 CD LYS A 265 5.994 -6.868 4.904 1.00 0.00 C ATOM 470 CE LYS A 265 7.411 -7.368 4.683 1.00 0.00 C ATOM 471 NZ LYS A 265 7.728 -8.538 5.545 1.00 0.00 N ATOM 0 H LYS A 265 1.912 -4.274 4.191 1.00 0.00 H new ATOM 0 HA LYS A 265 4.533 -3.236 3.394 1.00 0.00 H new ATOM 0 HB2 LYS A 265 4.254 -4.800 5.302 1.00 0.00 H new ATOM 0 HB3 LYS A 265 3.541 -5.985 4.226 1.00 0.00 H new ATOM 0 HG2 LYS A 265 5.682 -6.066 2.935 1.00 0.00 H new ATOM 0 HG3 LYS A 265 6.388 -4.928 4.066 1.00 0.00 H new ATOM 0 HD2 LYS A 265 5.881 -6.540 5.937 1.00 0.00 H new ATOM 0 HD3 LYS A 265 5.292 -7.687 4.751 1.00 0.00 H new ATOM 0 HE2 LYS A 265 7.540 -7.643 3.636 1.00 0.00 H new ATOM 0 HE3 LYS A 265 8.116 -6.563 4.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 265 8.704 -8.849 5.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 265 7.630 -8.269 6.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 265 7.072 -9.316 5.330 1.00 0.00 H new ATOM 485 N VAL A 266 4.158 -3.740 0.959 1.00 0.00 N ATOM 486 CA VAL A 266 4.023 -4.115 -0.441 1.00 0.00 C ATOM 487 C VAL A 266 5.163 -5.034 -0.842 1.00 0.00 C ATOM 488 O VAL A 266 6.322 -4.812 -0.465 1.00 0.00 O ATOM 489 CB VAL A 266 3.943 -2.895 -1.400 1.00 0.00 C ATOM 490 CG1 VAL A 266 3.541 -1.632 -0.654 1.00 0.00 C ATOM 491 CG2 VAL A 266 5.236 -2.708 -2.182 1.00 0.00 C ATOM 0 H VAL A 266 4.607 -2.839 1.125 1.00 0.00 H new ATOM 0 HA VAL A 266 3.073 -4.640 -0.538 1.00 0.00 H new ATOM 0 HB VAL A 266 3.161 -3.102 -2.130 1.00 0.00 H new ATOM 0 HG11 VAL A 266 3.494 -0.796 -1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 266 2.563 -1.776 -0.194 1.00 0.00 H new ATOM 0 HG13 VAL A 266 4.277 -1.417 0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 266 5.141 -1.845 -2.841 1.00 0.00 H new ATOM 0 HG22 VAL A 266 6.061 -2.545 -1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 266 5.433 -3.600 -2.777 1.00 0.00 H new ATOM 501 N THR A 267 4.818 -6.069 -1.588 1.00 0.00 N ATOM 502 CA THR A 267 5.773 -7.079 -1.986 1.00 0.00 C ATOM 503 C THR A 267 6.274 -6.852 -3.407 1.00 0.00 C ATOM 504 O THR A 267 7.212 -7.517 -3.853 1.00 0.00 O ATOM 505 CB THR A 267 5.157 -8.484 -1.850 1.00 0.00 C ATOM 506 OG1 THR A 267 3.871 -8.522 -2.488 1.00 0.00 O ATOM 507 CG2 THR A 267 5.005 -8.856 -0.382 1.00 0.00 C ATOM 0 H THR A 267 3.871 -6.229 -1.932 1.00 0.00 H new ATOM 0 HA THR A 267 6.631 -7.003 -1.318 1.00 0.00 H new ATOM 0 HB THR A 267 5.822 -9.200 -2.332 1.00 0.00 H new ATOM 0 HG1 THR A 267 3.488 -9.419 -2.398 1.00 0.00 H new ATOM 0 HG21 THR A 267 4.568 -9.852 -0.302 1.00 0.00 H new ATOM 0 HG22 THR A 267 5.983 -8.849 0.098 1.00 0.00 H new ATOM 0 HG23 THR A 267 4.354 -8.134 0.111 1.00 0.00 H new ATOM 515 N LYS A 268 5.666 -5.907 -4.122 1.00 0.00 N ATOM 516 CA LYS A 268 6.173 -5.540 -5.432 1.00 0.00 C ATOM 517 C LYS A 268 6.403 -4.040 -5.500 1.00 0.00 C ATOM 518 O LYS A 268 5.462 -3.256 -5.567 1.00 0.00 O ATOM 519 CB LYS A 268 5.236 -6.007 -6.546 1.00 0.00 C ATOM 520 CG LYS A 268 5.838 -5.840 -7.932 1.00 0.00 C ATOM 521 CD LYS A 268 7.262 -6.386 -7.982 1.00 0.00 C ATOM 522 CE LYS A 268 7.306 -7.900 -7.821 1.00 0.00 C ATOM 523 NZ LYS A 268 8.705 -8.398 -7.721 1.00 0.00 N ATOM 0 H LYS A 268 4.838 -5.393 -3.820 1.00 0.00 H new ATOM 0 HA LYS A 268 7.127 -6.045 -5.584 1.00 0.00 H new ATOM 0 HB2 LYS A 268 4.986 -7.056 -6.388 1.00 0.00 H new ATOM 0 HB3 LYS A 268 4.304 -5.445 -6.490 1.00 0.00 H new ATOM 0 HG2 LYS A 268 5.220 -6.359 -8.665 1.00 0.00 H new ATOM 0 HG3 LYS A 268 5.840 -4.785 -8.206 1.00 0.00 H new ATOM 0 HD2 LYS A 268 7.721 -6.110 -8.931 1.00 0.00 H new ATOM 0 HD3 LYS A 268 7.855 -5.922 -7.194 1.00 0.00 H new ATOM 0 HE2 LYS A 268 6.752 -8.188 -6.928 1.00 0.00 H new ATOM 0 HE3 LYS A 268 6.811 -8.372 -8.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 268 8.698 -9.432 -7.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 268 9.226 -8.144 -8.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 268 9.169 -7.966 -6.897 1.00 0.00 H new ATOM 537 N ILE A 269 7.672 -3.668 -5.491 1.00 0.00 N ATOM 538 CA ILE A 269 8.089 -2.279 -5.353 1.00 0.00 C ATOM 539 C ILE A 269 8.580 -1.652 -6.656 1.00 0.00 C ATOM 540 O ILE A 269 8.868 -2.338 -7.636 1.00 0.00 O ATOM 541 CB ILE A 269 9.164 -2.109 -4.255 1.00 0.00 C ATOM 542 CG1 ILE A 269 10.102 -3.315 -4.204 1.00 0.00 C ATOM 543 CG2 ILE A 269 8.502 -1.888 -2.914 1.00 0.00 C ATOM 544 CD1 ILE A 269 10.694 -3.641 -5.545 1.00 0.00 C ATOM 0 H ILE A 269 8.448 -4.324 -5.580 1.00 0.00 H new ATOM 0 HA ILE A 269 7.186 -1.744 -5.059 1.00 0.00 H new ATOM 0 HB ILE A 269 9.768 -1.235 -4.499 1.00 0.00 H new ATOM 0 HG12 ILE A 269 10.905 -3.116 -3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 269 9.555 -4.181 -3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 269 9.266 -1.769 -2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 269 7.887 -0.989 -2.956 1.00 0.00 H new ATOM 0 HG23 ILE A 269 7.875 -2.746 -2.672 1.00 0.00 H new ATOM 0 HD11 ILE A 269 11.352 -4.505 -5.452 1.00 0.00 H new ATOM 0 HD12 ILE A 269 9.894 -3.868 -6.250 1.00 0.00 H new ATOM 0 HD13 ILE A 269 11.266 -2.787 -5.908 1.00 0.00 H new ATOM 556 N ASN A 270 8.631 -0.330 -6.644 1.00 0.00 N ATOM 557 CA ASN A 270 9.073 0.461 -7.786 1.00 0.00 C ATOM 558 C ASN A 270 9.856 1.661 -7.261 1.00 0.00 C ATOM 559 O ASN A 270 10.115 1.743 -6.060 1.00 0.00 O ATOM 560 CB ASN A 270 7.866 0.909 -8.617 1.00 0.00 C ATOM 561 CG ASN A 270 7.009 1.934 -7.902 1.00 0.00 C ATOM 562 OD1 ASN A 270 7.075 3.127 -8.176 1.00 0.00 O ATOM 563 ND2 ASN A 270 6.222 1.483 -6.951 1.00 0.00 N ATOM 0 H ASN A 270 8.365 0.231 -5.835 1.00 0.00 H new ATOM 0 HA ASN A 270 9.715 -0.134 -8.436 1.00 0.00 H new ATOM 0 HB2 ASN A 270 8.216 1.329 -9.560 1.00 0.00 H new ATOM 0 HB3 ASN A 270 7.256 0.039 -8.862 1.00 0.00 H new ATOM 0 HD21 ASN A 270 5.644 2.132 -6.417 1.00 0.00 H new ATOM 0 HD22 ASN A 270 6.189 0.484 -6.747 1.00 0.00 H new ATOM 570 N VAL A 271 10.221 2.594 -8.130 1.00 0.00 N ATOM 571 CA VAL A 271 11.060 3.713 -7.710 1.00 0.00 C ATOM 572 C VAL A 271 10.266 5.009 -7.528 1.00 0.00 C ATOM 573 O VAL A 271 10.813 6.011 -7.065 1.00 0.00 O ATOM 574 CB VAL A 271 12.226 3.963 -8.693 1.00 0.00 C ATOM 575 CG1 VAL A 271 13.200 2.794 -8.675 1.00 0.00 C ATOM 576 CG2 VAL A 271 11.709 4.206 -10.102 1.00 0.00 C ATOM 0 H VAL A 271 9.956 2.602 -9.115 1.00 0.00 H new ATOM 0 HA VAL A 271 11.467 3.422 -6.742 1.00 0.00 H new ATOM 0 HB VAL A 271 12.755 4.859 -8.369 1.00 0.00 H new ATOM 0 HG11 VAL A 271 14.014 2.988 -9.373 1.00 0.00 H new ATOM 0 HG12 VAL A 271 13.605 2.673 -7.670 1.00 0.00 H new ATOM 0 HG13 VAL A 271 12.680 1.882 -8.969 1.00 0.00 H new ATOM 0 HG21 VAL A 271 12.550 4.379 -10.773 1.00 0.00 H new ATOM 0 HG22 VAL A 271 11.149 3.334 -10.439 1.00 0.00 H new ATOM 0 HG23 VAL A 271 11.057 5.079 -10.105 1.00 0.00 H new ATOM 586 N SER A 272 8.985 4.999 -7.878 1.00 0.00 N ATOM 587 CA SER A 272 8.162 6.195 -7.742 1.00 0.00 C ATOM 588 C SER A 272 7.281 6.130 -6.492 1.00 0.00 C ATOM 589 O SER A 272 7.198 7.099 -5.738 1.00 0.00 O ATOM 590 CB SER A 272 7.283 6.377 -8.981 1.00 0.00 C ATOM 591 OG SER A 272 8.037 6.187 -10.169 1.00 0.00 O ATOM 0 H SER A 272 8.498 4.186 -8.254 1.00 0.00 H new ATOM 0 HA SER A 272 8.834 7.048 -7.643 1.00 0.00 H new ATOM 0 HB2 SER A 272 6.456 5.667 -8.953 1.00 0.00 H new ATOM 0 HB3 SER A 272 6.846 7.376 -8.978 1.00 0.00 H new ATOM 0 HG SER A 272 7.455 6.306 -10.948 1.00 0.00 H new ATOM 597 N GLY A 273 6.646 4.983 -6.257 1.00 0.00 N ATOM 598 CA GLY A 273 5.775 4.853 -5.109 1.00 0.00 C ATOM 599 C GLY A 273 4.432 4.217 -5.435 1.00 0.00 C ATOM 600 O GLY A 273 3.603 4.040 -4.547 1.00 0.00 O ATOM 0 H GLY A 273 6.721 4.149 -6.839 1.00 0.00 H new ATOM 0 HA2 GLY A 273 6.276 4.254 -4.348 1.00 0.00 H new ATOM 0 HA3 GLY A 273 5.606 5.840 -4.678 1.00 0.00 H new ATOM 604 N GLN A 274 4.187 3.892 -6.697 1.00 0.00 N ATOM 605 CA GLN A 274 2.967 3.171 -7.045 1.00 0.00 C ATOM 606 C GLN A 274 3.267 1.688 -7.121 1.00 0.00 C ATOM 607 O GLN A 274 3.824 1.208 -8.106 1.00 0.00 O ATOM 608 CB GLN A 274 2.364 3.667 -8.368 1.00 0.00 C ATOM 609 CG GLN A 274 0.952 3.141 -8.616 1.00 0.00 C ATOM 610 CD GLN A 274 0.904 1.818 -9.372 1.00 0.00 C ATOM 611 OE1 GLN A 274 0.754 1.797 -10.593 1.00 0.00 O ATOM 612 NE2 GLN A 274 1.078 0.705 -8.665 1.00 0.00 N ATOM 0 H GLN A 274 4.800 4.109 -7.482 1.00 0.00 H new ATOM 0 HA GLN A 274 2.226 3.358 -6.268 1.00 0.00 H new ATOM 0 HB2 GLN A 274 2.344 4.757 -8.366 1.00 0.00 H new ATOM 0 HB3 GLN A 274 3.009 3.362 -9.192 1.00 0.00 H new ATOM 0 HG2 GLN A 274 0.448 3.018 -7.657 1.00 0.00 H new ATOM 0 HG3 GLN A 274 0.391 3.888 -9.177 1.00 0.00 H new ATOM 0 HE21 GLN A 274 1.200 0.757 -7.654 1.00 0.00 H new ATOM 0 HE22 GLN A 274 1.090 -0.201 -9.134 1.00 0.00 H new ATOM 621 N TRP A 275 2.892 0.958 -6.087 1.00 0.00 N ATOM 622 CA TRP A 275 3.251 -0.445 -5.992 1.00 0.00 C ATOM 623 C TRP A 275 2.054 -1.334 -5.724 1.00 0.00 C ATOM 624 O TRP A 275 0.941 -0.855 -5.482 1.00 0.00 O ATOM 625 CB TRP A 275 4.280 -0.673 -4.887 1.00 0.00 C ATOM 626 CG TRP A 275 4.476 0.466 -3.938 1.00 0.00 C ATOM 627 CD1 TRP A 275 3.562 1.051 -3.111 1.00 0.00 C ATOM 628 CD2 TRP A 275 5.707 1.131 -3.706 1.00 0.00 C ATOM 629 NE1 TRP A 275 4.164 2.065 -2.402 1.00 0.00 N ATOM 630 CE2 TRP A 275 5.486 2.122 -2.748 1.00 0.00 C ATOM 631 CE3 TRP A 275 6.974 0.974 -4.236 1.00 0.00 C ATOM 632 CZ2 TRP A 275 6.501 2.959 -2.301 1.00 0.00 C ATOM 633 CZ3 TRP A 275 7.989 1.799 -3.798 1.00 0.00 C ATOM 634 CH2 TRP A 275 7.747 2.781 -2.836 1.00 0.00 C ATOM 0 H TRP A 275 2.341 1.311 -5.304 1.00 0.00 H new ATOM 0 HA TRP A 275 3.673 -0.712 -6.961 1.00 0.00 H new ATOM 0 HB2 TRP A 275 3.983 -1.552 -4.315 1.00 0.00 H new ATOM 0 HB3 TRP A 275 5.239 -0.904 -5.351 1.00 0.00 H new ATOM 0 HD1 TRP A 275 2.525 0.762 -3.026 1.00 0.00 H new ATOM 0 HE1 TRP A 275 3.700 2.675 -1.728 1.00 0.00 H new ATOM 0 HE3 TRP A 275 7.166 0.217 -4.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 275 6.313 3.721 -1.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 275 8.983 1.684 -4.204 1.00 0.00 H new ATOM 0 HH2 TRP A 275 8.559 3.412 -2.508 1.00 0.00 H new ATOM 645 N GLU A 276 2.304 -2.638 -5.767 1.00 0.00 N ATOM 646 CA GLU A 276 1.320 -3.620 -5.365 1.00 0.00 C ATOM 647 C GLU A 276 1.606 -4.000 -3.926 1.00 0.00 C ATOM 648 O GLU A 276 2.718 -4.438 -3.595 1.00 0.00 O ATOM 649 CB GLU A 276 1.382 -4.854 -6.269 1.00 0.00 C ATOM 650 CG GLU A 276 0.382 -5.938 -5.896 1.00 0.00 C ATOM 651 CD GLU A 276 0.446 -7.138 -6.815 1.00 0.00 C ATOM 652 OE1 GLU A 276 1.339 -7.992 -6.628 1.00 0.00 O ATOM 653 OE2 GLU A 276 -0.401 -7.237 -7.729 1.00 0.00 O ATOM 0 H GLU A 276 3.190 -3.036 -6.080 1.00 0.00 H new ATOM 0 HA GLU A 276 0.317 -3.203 -5.455 1.00 0.00 H new ATOM 0 HB2 GLU A 276 1.204 -4.547 -7.300 1.00 0.00 H new ATOM 0 HB3 GLU A 276 2.388 -5.272 -6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 276 0.568 -6.261 -4.872 1.00 0.00 H new ATOM 0 HG3 GLU A 276 -0.625 -5.521 -5.921 1.00 0.00 H new ATOM 660 N GLY A 277 0.594 -3.862 -3.091 1.00 0.00 N ATOM 661 CA GLY A 277 0.795 -3.913 -1.667 1.00 0.00 C ATOM 662 C GLY A 277 0.120 -5.093 -1.015 1.00 0.00 C ATOM 663 O GLY A 277 -0.731 -5.746 -1.620 1.00 0.00 O ATOM 0 H GLY A 277 -0.373 -3.714 -3.380 1.00 0.00 H new ATOM 0 HA2 GLY A 277 1.864 -3.953 -1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 277 0.417 -2.994 -1.220 1.00 0.00 H new ATOM 667 N GLU A 278 0.505 -5.364 0.218 1.00 0.00 N ATOM 668 CA GLU A 278 -0.172 -6.353 1.026 1.00 0.00 C ATOM 669 C GLU A 278 -0.303 -5.836 2.453 1.00 0.00 C ATOM 670 O GLU A 278 0.697 -5.575 3.117 1.00 0.00 O ATOM 671 CB GLU A 278 0.614 -7.662 1.025 1.00 0.00 C ATOM 672 CG GLU A 278 -0.121 -8.806 1.686 1.00 0.00 C ATOM 673 CD GLU A 278 0.793 -9.963 2.024 1.00 0.00 C ATOM 674 OE1 GLU A 278 1.164 -10.720 1.102 1.00 0.00 O ATOM 675 OE2 GLU A 278 1.130 -10.124 3.214 1.00 0.00 O ATOM 0 H GLU A 278 1.290 -4.907 0.682 1.00 0.00 H new ATOM 0 HA GLU A 278 -1.163 -6.537 0.610 1.00 0.00 H new ATOM 0 HB2 GLU A 278 0.847 -7.936 -0.004 1.00 0.00 H new ATOM 0 HB3 GLU A 278 1.564 -7.507 1.536 1.00 0.00 H new ATOM 0 HG2 GLU A 278 -0.600 -8.448 2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 278 -0.914 -9.155 1.024 1.00 0.00 H new ATOM 682 N CYS A 279 -1.522 -5.679 2.944 1.00 0.00 N ATOM 683 CA CYS A 279 -1.687 -5.253 4.316 1.00 0.00 C ATOM 684 C CYS A 279 -1.994 -6.465 5.173 1.00 0.00 C ATOM 685 O CYS A 279 -3.140 -6.896 5.274 1.00 0.00 O ATOM 686 CB CYS A 279 -2.783 -4.185 4.443 1.00 0.00 C ATOM 687 SG CYS A 279 -4.397 -4.665 3.782 1.00 0.00 S ATOM 0 H CYS A 279 -2.387 -5.836 2.427 1.00 0.00 H new ATOM 0 HA CYS A 279 -0.762 -4.793 4.663 1.00 0.00 H new ATOM 0 HB2 CYS A 279 -2.900 -3.929 5.496 1.00 0.00 H new ATOM 0 HB3 CYS A 279 -2.451 -3.282 3.930 1.00 0.00 H new ATOM 0 HG CYS A 279 -5.023 -3.608 3.355 1.00 0.00 H new ATOM 693 N ASN A 280 -0.942 -6.996 5.787 1.00 0.00 N ATOM 694 CA ASN A 280 -1.027 -8.174 6.646 1.00 0.00 C ATOM 695 C ASN A 280 -1.954 -9.248 6.057 1.00 0.00 C ATOM 696 O ASN A 280 -2.881 -9.714 6.720 1.00 0.00 O ATOM 697 CB ASN A 280 -1.493 -7.779 8.056 1.00 0.00 C ATOM 698 CG ASN A 280 -0.625 -6.713 8.709 1.00 0.00 C ATOM 699 OD1 ASN A 280 -1.113 -5.896 9.487 1.00 0.00 O ATOM 700 ND2 ASN A 280 0.671 -6.715 8.417 1.00 0.00 N ATOM 0 H ASN A 280 0.002 -6.619 5.702 1.00 0.00 H new ATOM 0 HA ASN A 280 -0.027 -8.604 6.710 1.00 0.00 H new ATOM 0 HB2 ASN A 280 -2.520 -7.417 8.002 1.00 0.00 H new ATOM 0 HB3 ASN A 280 -1.501 -8.667 8.689 1.00 0.00 H new ATOM 0 HD21 ASN A 280 1.291 -6.026 8.842 1.00 0.00 H new ATOM 0 HD22 ASN A 280 1.046 -7.406 7.767 1.00 0.00 H new ATOM 707 N GLY A 281 -1.713 -9.630 4.803 1.00 0.00 N ATOM 708 CA GLY A 281 -2.486 -10.703 4.195 1.00 0.00 C ATOM 709 C GLY A 281 -3.351 -10.275 3.015 1.00 0.00 C ATOM 710 O GLY A 281 -3.625 -11.086 2.132 1.00 0.00 O ATOM 0 H GLY A 281 -1.001 -9.218 4.200 1.00 0.00 H new ATOM 0 HA2 GLY A 281 -1.801 -11.482 3.862 1.00 0.00 H new ATOM 0 HA3 GLY A 281 -3.128 -11.147 4.956 1.00 0.00 H new ATOM 714 N LYS A 282 -3.798 -9.025 2.988 1.00 0.00 N ATOM 715 CA LYS A 282 -4.656 -8.559 1.892 1.00 0.00 C ATOM 716 C LYS A 282 -3.814 -7.957 0.778 1.00 0.00 C ATOM 717 O LYS A 282 -2.924 -7.162 1.046 1.00 0.00 O ATOM 718 CB LYS A 282 -5.673 -7.510 2.364 1.00 0.00 C ATOM 719 CG LYS A 282 -6.622 -7.972 3.464 1.00 0.00 C ATOM 720 CD LYS A 282 -5.938 -8.020 4.819 1.00 0.00 C ATOM 721 CE LYS A 282 -6.938 -8.256 5.940 1.00 0.00 C ATOM 722 NZ LYS A 282 -6.299 -8.207 7.282 1.00 0.00 N ATOM 0 H LYS A 282 -3.588 -8.322 3.697 1.00 0.00 H new ATOM 0 HA LYS A 282 -5.200 -9.429 1.525 1.00 0.00 H new ATOM 0 HB2 LYS A 282 -5.129 -6.635 2.720 1.00 0.00 H new ATOM 0 HB3 LYS A 282 -6.265 -7.190 1.507 1.00 0.00 H new ATOM 0 HG2 LYS A 282 -7.477 -7.298 3.513 1.00 0.00 H new ATOM 0 HG3 LYS A 282 -7.009 -8.961 3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 282 -5.191 -8.814 4.823 1.00 0.00 H new ATOM 0 HD3 LYS A 282 -5.408 -7.084 4.994 1.00 0.00 H new ATOM 0 HE2 LYS A 282 -7.725 -7.504 5.887 1.00 0.00 H new ATOM 0 HE3 LYS A 282 -7.414 -9.227 5.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 282 -7.018 -8.373 8.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 282 -5.565 -8.941 7.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 282 -5.867 -7.272 7.427 1.00 0.00 H new ATOM 736 N ARG A 283 -4.104 -8.319 -0.465 1.00 0.00 N ATOM 737 CA ARG A 283 -3.337 -7.816 -1.598 1.00 0.00 C ATOM 738 C ARG A 283 -4.133 -6.772 -2.390 1.00 0.00 C ATOM 739 O ARG A 283 -5.361 -6.732 -2.328 1.00 0.00 O ATOM 740 CB ARG A 283 -2.902 -8.962 -2.525 1.00 0.00 C ATOM 741 CG ARG A 283 -1.783 -9.827 -1.960 1.00 0.00 C ATOM 742 CD ARG A 283 -2.290 -10.810 -0.916 1.00 0.00 C ATOM 743 NE ARG A 283 -1.189 -11.423 -0.174 1.00 0.00 N ATOM 744 CZ ARG A 283 -1.152 -12.693 0.225 1.00 0.00 C ATOM 745 NH1 ARG A 283 -2.138 -13.530 -0.077 1.00 0.00 N ATOM 746 NH2 ARG A 283 -0.110 -13.122 0.922 1.00 0.00 N ATOM 0 H ARG A 283 -4.861 -8.956 -0.714 1.00 0.00 H new ATOM 0 HA ARG A 283 -2.444 -7.336 -1.197 1.00 0.00 H new ATOM 0 HB2 ARG A 283 -3.765 -9.594 -2.734 1.00 0.00 H new ATOM 0 HB3 ARG A 283 -2.577 -8.542 -3.477 1.00 0.00 H new ATOM 0 HG2 ARG A 283 -1.305 -10.376 -2.771 1.00 0.00 H new ATOM 0 HG3 ARG A 283 -1.021 -9.187 -1.515 1.00 0.00 H new ATOM 0 HD2 ARG A 283 -2.954 -10.295 -0.222 1.00 0.00 H new ATOM 0 HD3 ARG A 283 -2.879 -11.587 -1.403 1.00 0.00 H new ATOM 0 HE ARG A 283 -0.389 -10.833 0.055 1.00 0.00 H new ATOM 0 HH11 ARG A 283 -2.936 -13.203 -0.621 1.00 0.00 H new ATOM 0 HH12 ARG A 283 -2.097 -14.500 0.235 1.00 0.00 H new ATOM 0 HH21 ARG A 283 0.652 -12.482 1.147 1.00 0.00 H new ATOM 0 HH22 ARG A 283 -0.069 -14.092 1.234 1.00 0.00 H new ATOM 760 N GLY A 284 -3.408 -5.936 -3.127 1.00 0.00 N ATOM 761 CA GLY A 284 -4.006 -4.854 -3.899 1.00 0.00 C ATOM 762 C GLY A 284 -2.922 -4.005 -4.542 1.00 0.00 C ATOM 763 O GLY A 284 -1.753 -4.357 -4.454 1.00 0.00 O ATOM 0 H GLY A 284 -2.392 -5.990 -3.205 1.00 0.00 H new ATOM 0 HA2 GLY A 284 -4.660 -5.265 -4.668 1.00 0.00 H new ATOM 0 HA3 GLY A 284 -4.626 -4.235 -3.251 1.00 0.00 H new ATOM 767 N HIS A 285 -3.275 -2.888 -5.169 1.00 0.00 N ATOM 768 CA HIS A 285 -2.260 -1.947 -5.651 1.00 0.00 C ATOM 769 C HIS A 285 -2.747 -0.502 -5.578 1.00 0.00 C ATOM 770 O HIS A 285 -3.922 -0.219 -5.806 1.00 0.00 O ATOM 771 CB HIS A 285 -1.771 -2.291 -7.067 1.00 0.00 C ATOM 772 CG HIS A 285 -2.838 -2.541 -8.092 1.00 0.00 C ATOM 773 ND1 HIS A 285 -3.338 -1.560 -8.923 1.00 0.00 N ATOM 774 CD2 HIS A 285 -3.456 -3.688 -8.459 1.00 0.00 C ATOM 775 CE1 HIS A 285 -4.213 -2.096 -9.754 1.00 0.00 C ATOM 776 NE2 HIS A 285 -4.301 -3.387 -9.496 1.00 0.00 N ATOM 0 H HIS A 285 -4.239 -2.611 -5.355 1.00 0.00 H new ATOM 0 HA HIS A 285 -1.406 -2.046 -4.981 1.00 0.00 H new ATOM 0 HB2 HIS A 285 -1.141 -1.475 -7.420 1.00 0.00 H new ATOM 0 HB3 HIS A 285 -1.140 -3.177 -7.006 1.00 0.00 H new ATOM 0 HD1 HIS A 285 -3.073 -0.575 -8.899 1.00 0.00 H new ATOM 0 HD2 HIS A 285 -3.310 -4.662 -8.016 1.00 0.00 H new ATOM 0 HE1 HIS A 285 -4.764 -1.566 -10.517 1.00 0.00 H new ATOM 785 N PHE A 286 -1.821 0.403 -5.250 1.00 0.00 N ATOM 786 CA PHE A 286 -2.137 1.813 -5.013 1.00 0.00 C ATOM 787 C PHE A 286 -0.914 2.704 -5.232 1.00 0.00 C ATOM 788 O PHE A 286 0.218 2.219 -5.254 1.00 0.00 O ATOM 789 CB PHE A 286 -2.631 2.011 -3.578 1.00 0.00 C ATOM 790 CG PHE A 286 -4.121 1.965 -3.425 1.00 0.00 C ATOM 791 CD1 PHE A 286 -4.897 3.072 -3.730 1.00 0.00 C ATOM 792 CD2 PHE A 286 -4.745 0.824 -2.958 1.00 0.00 C ATOM 793 CE1 PHE A 286 -6.269 3.040 -3.577 1.00 0.00 C ATOM 794 CE2 PHE A 286 -6.116 0.788 -2.798 1.00 0.00 C ATOM 795 CZ PHE A 286 -6.878 1.895 -3.108 1.00 0.00 C ATOM 0 H PHE A 286 -0.832 0.179 -5.141 1.00 0.00 H new ATOM 0 HA PHE A 286 -2.915 2.094 -5.723 1.00 0.00 H new ATOM 0 HB2 PHE A 286 -2.189 1.242 -2.945 1.00 0.00 H new ATOM 0 HB3 PHE A 286 -2.270 2.972 -3.211 1.00 0.00 H new ATOM 0 HD1 PHE A 286 -4.422 3.972 -4.092 1.00 0.00 H new ATOM 0 HD2 PHE A 286 -4.155 -0.048 -2.716 1.00 0.00 H new ATOM 0 HE1 PHE A 286 -6.863 3.908 -3.824 1.00 0.00 H new ATOM 0 HE2 PHE A 286 -6.592 -0.108 -2.430 1.00 0.00 H new ATOM 0 HZ PHE A 286 -7.950 1.865 -2.984 1.00 0.00 H new ATOM 805 N PRO A 287 -1.134 4.024 -5.393 1.00 0.00 N ATOM 806 CA PRO A 287 -0.064 4.999 -5.518 1.00 0.00 C ATOM 807 C PRO A 287 0.324 5.605 -4.164 1.00 0.00 C ATOM 808 O PRO A 287 -0.401 5.456 -3.171 1.00 0.00 O ATOM 809 CB PRO A 287 -0.678 6.062 -6.434 1.00 0.00 C ATOM 810 CG PRO A 287 -2.167 5.883 -6.363 1.00 0.00 C ATOM 811 CD PRO A 287 -2.445 4.676 -5.504 1.00 0.00 C ATOM 0 HA PRO A 287 0.857 4.563 -5.905 1.00 0.00 H new ATOM 0 HB2 PRO A 287 -0.393 7.063 -6.111 1.00 0.00 H new ATOM 0 HB3 PRO A 287 -0.322 5.944 -7.457 1.00 0.00 H new ATOM 0 HG2 PRO A 287 -2.639 6.770 -5.940 1.00 0.00 H new ATOM 0 HG3 PRO A 287 -2.583 5.746 -7.361 1.00 0.00 H new ATOM 0 HD2 PRO A 287 -2.836 4.960 -4.527 1.00 0.00 H new ATOM 0 HD3 PRO A 287 -3.183 4.018 -5.963 1.00 0.00 H new ATOM 819 N PHE A 288 1.459 6.300 -4.136 1.00 0.00 N ATOM 820 CA PHE A 288 2.036 6.799 -2.884 1.00 0.00 C ATOM 821 C PHE A 288 1.449 8.143 -2.465 1.00 0.00 C ATOM 822 O PHE A 288 1.709 8.621 -1.362 1.00 0.00 O ATOM 823 CB PHE A 288 3.550 6.937 -3.014 1.00 0.00 C ATOM 824 CG PHE A 288 3.970 7.913 -4.072 1.00 0.00 C ATOM 825 CD1 PHE A 288 3.992 7.514 -5.384 1.00 0.00 C ATOM 826 CD2 PHE A 288 4.333 9.214 -3.762 1.00 0.00 C ATOM 827 CE1 PHE A 288 4.368 8.383 -6.389 1.00 0.00 C ATOM 828 CE2 PHE A 288 4.712 10.095 -4.759 1.00 0.00 C ATOM 829 CZ PHE A 288 4.729 9.677 -6.076 1.00 0.00 C ATOM 0 H PHE A 288 2.001 6.532 -4.968 1.00 0.00 H new ATOM 0 HA PHE A 288 1.788 6.068 -2.114 1.00 0.00 H new ATOM 0 HB2 PHE A 288 3.962 7.252 -2.055 1.00 0.00 H new ATOM 0 HB3 PHE A 288 3.978 5.961 -3.240 1.00 0.00 H new ATOM 0 HD1 PHE A 288 3.710 6.502 -5.636 1.00 0.00 H new ATOM 0 HD2 PHE A 288 4.320 9.543 -2.733 1.00 0.00 H new ATOM 0 HE1 PHE A 288 4.379 8.051 -7.417 1.00 0.00 H new ATOM 0 HE2 PHE A 288 4.994 11.107 -4.509 1.00 0.00 H new ATOM 0 HZ PHE A 288 5.024 10.361 -6.858 1.00 0.00 H new ATOM 839 N THR A 289 0.653 8.734 -3.343 1.00 0.00 N ATOM 840 CA THR A 289 0.106 10.074 -3.141 1.00 0.00 C ATOM 841 C THR A 289 -0.689 10.219 -1.831 1.00 0.00 C ATOM 842 O THR A 289 -0.992 11.333 -1.407 1.00 0.00 O ATOM 843 CB THR A 289 -0.788 10.460 -4.338 1.00 0.00 C ATOM 844 OG1 THR A 289 -1.380 11.750 -4.141 1.00 0.00 O ATOM 845 CG2 THR A 289 -1.871 9.414 -4.552 1.00 0.00 C ATOM 0 H THR A 289 0.365 8.299 -4.220 1.00 0.00 H new ATOM 0 HA THR A 289 0.958 10.750 -3.067 1.00 0.00 H new ATOM 0 HB THR A 289 -0.159 10.503 -5.227 1.00 0.00 H new ATOM 0 HG1 THR A 289 -1.483 11.920 -3.181 1.00 0.00 H new ATOM 0 HG21 THR A 289 -2.492 9.702 -5.400 1.00 0.00 H new ATOM 0 HG22 THR A 289 -1.409 8.447 -4.752 1.00 0.00 H new ATOM 0 HG23 THR A 289 -2.489 9.342 -3.657 1.00 0.00 H new ATOM 853 N HIS A 290 -1.019 9.106 -1.188 1.00 0.00 N ATOM 854 CA HIS A 290 -1.803 9.147 0.039 1.00 0.00 C ATOM 855 C HIS A 290 -1.288 8.153 1.077 1.00 0.00 C ATOM 856 O HIS A 290 -2.064 7.582 1.848 1.00 0.00 O ATOM 857 CB HIS A 290 -3.284 8.901 -0.272 1.00 0.00 C ATOM 858 CG HIS A 290 -3.570 7.670 -1.079 1.00 0.00 C ATOM 859 ND1 HIS A 290 -4.655 7.566 -1.918 1.00 0.00 N ATOM 860 CD2 HIS A 290 -2.909 6.495 -1.179 1.00 0.00 C ATOM 861 CE1 HIS A 290 -4.649 6.389 -2.503 1.00 0.00 C ATOM 862 NE2 HIS A 290 -3.595 5.713 -2.076 1.00 0.00 N ATOM 0 H HIS A 290 -0.757 8.169 -1.494 1.00 0.00 H new ATOM 0 HA HIS A 290 -1.696 10.142 0.472 1.00 0.00 H new ATOM 0 HB2 HIS A 290 -3.830 8.835 0.669 1.00 0.00 H new ATOM 0 HB3 HIS A 290 -3.675 9.766 -0.807 1.00 0.00 H new ATOM 0 HD2 HIS A 290 -2.008 6.222 -0.651 1.00 0.00 H new ATOM 0 HE1 HIS A 290 -5.381 6.034 -3.213 1.00 0.00 H new ATOM 0 HE2 HIS A 290 -3.335 4.770 -2.364 1.00 0.00 H new ATOM 871 N VAL A 291 0.020 7.943 1.088 1.00 0.00 N ATOM 872 CA VAL A 291 0.655 7.075 2.075 1.00 0.00 C ATOM 873 C VAL A 291 2.048 7.594 2.420 1.00 0.00 C ATOM 874 O VAL A 291 2.612 8.413 1.696 1.00 0.00 O ATOM 875 CB VAL A 291 0.765 5.604 1.592 1.00 0.00 C ATOM 876 CG1 VAL A 291 -0.596 4.933 1.541 1.00 0.00 C ATOM 877 CG2 VAL A 291 1.432 5.529 0.232 1.00 0.00 C ATOM 0 H VAL A 291 0.668 8.363 0.421 1.00 0.00 H new ATOM 0 HA VAL A 291 0.018 7.090 2.959 1.00 0.00 H new ATOM 0 HB VAL A 291 1.381 5.071 2.316 1.00 0.00 H new ATOM 0 HG11 VAL A 291 -0.482 3.904 1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -1.041 4.937 2.536 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -1.243 5.475 0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 291 1.497 4.488 -0.084 1.00 0.00 H new ATOM 0 HG22 VAL A 291 0.845 6.092 -0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 291 2.434 5.953 0.294 1.00 0.00 H new ATOM 887 N ARG A 292 2.579 7.135 3.541 1.00 0.00 N ATOM 888 CA ARG A 292 3.927 7.484 3.966 1.00 0.00 C ATOM 889 C ARG A 292 4.747 6.212 4.023 1.00 0.00 C ATOM 890 O ARG A 292 4.586 5.417 4.937 1.00 0.00 O ATOM 891 CB ARG A 292 3.893 8.123 5.357 1.00 0.00 C ATOM 892 CG ARG A 292 2.667 8.985 5.605 1.00 0.00 C ATOM 893 CD ARG A 292 2.612 10.178 4.663 1.00 0.00 C ATOM 894 NE ARG A 292 3.698 11.120 4.903 1.00 0.00 N ATOM 895 CZ ARG A 292 4.313 11.803 3.941 1.00 0.00 C ATOM 896 NH1 ARG A 292 4.001 11.590 2.663 1.00 0.00 N ATOM 897 NH2 ARG A 292 5.255 12.685 4.253 1.00 0.00 N ATOM 0 H ARG A 292 2.090 6.511 4.182 1.00 0.00 H new ATOM 0 HA ARG A 292 4.363 8.195 3.264 1.00 0.00 H new ATOM 0 HB2 ARG A 292 3.930 7.335 6.110 1.00 0.00 H new ATOM 0 HB3 ARG A 292 4.787 8.732 5.489 1.00 0.00 H new ATOM 0 HG2 ARG A 292 1.768 8.382 5.480 1.00 0.00 H new ATOM 0 HG3 ARG A 292 2.673 9.337 6.637 1.00 0.00 H new ATOM 0 HD2 ARG A 292 2.659 9.827 3.632 1.00 0.00 H new ATOM 0 HD3 ARG A 292 1.657 10.689 4.782 1.00 0.00 H new ATOM 0 HE ARG A 292 4.005 11.264 5.865 1.00 0.00 H new ATOM 0 HH11 ARG A 292 3.289 10.902 2.420 1.00 0.00 H new ATOM 0 HH12 ARG A 292 4.474 12.115 1.928 1.00 0.00 H new ATOM 0 HH21 ARG A 292 5.507 12.838 5.229 1.00 0.00 H new ATOM 0 HH22 ARG A 292 5.727 13.209 3.516 1.00 0.00 H new ATOM 911 N LEU A 293 5.639 6.013 3.078 1.00 0.00 N ATOM 912 CA LEU A 293 6.274 4.728 2.959 1.00 0.00 C ATOM 913 C LEU A 293 7.699 4.716 3.473 1.00 0.00 C ATOM 914 O LEU A 293 8.519 5.565 3.126 1.00 0.00 O ATOM 915 CB LEU A 293 6.211 4.167 1.533 1.00 0.00 C ATOM 916 CG LEU A 293 6.115 5.134 0.339 1.00 0.00 C ATOM 917 CD1 LEU A 293 4.796 5.885 0.313 1.00 0.00 C ATOM 918 CD2 LEU A 293 7.283 6.102 0.291 1.00 0.00 C ATOM 0 H LEU A 293 5.934 6.711 2.395 1.00 0.00 H new ATOM 0 HA LEU A 293 5.693 4.068 3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 293 7.099 3.553 1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 293 5.350 3.500 1.483 1.00 0.00 H new ATOM 0 HG LEU A 293 6.161 4.513 -0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 293 4.775 6.555 -0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 293 3.974 5.173 0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 293 4.691 6.467 1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 293 7.172 6.764 -0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 293 7.302 6.694 1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 293 8.215 5.544 0.200 1.00 0.00 H new ATOM 930 N LEU A 294 7.960 3.753 4.335 1.00 0.00 N ATOM 931 CA LEU A 294 9.297 3.423 4.742 1.00 0.00 C ATOM 932 C LEU A 294 9.863 2.472 3.708 1.00 0.00 C ATOM 933 O LEU A 294 9.285 1.423 3.424 1.00 0.00 O ATOM 934 CB LEU A 294 9.305 2.785 6.132 1.00 0.00 C ATOM 935 CG LEU A 294 8.665 3.624 7.238 1.00 0.00 C ATOM 936 CD1 LEU A 294 7.176 3.362 7.316 1.00 0.00 C ATOM 937 CD2 LEU A 294 9.331 3.350 8.574 1.00 0.00 C ATOM 0 H LEU A 294 7.240 3.178 4.772 1.00 0.00 H new ATOM 0 HA LEU A 294 9.907 4.324 4.805 1.00 0.00 H new ATOM 0 HB2 LEU A 294 8.786 1.828 6.078 1.00 0.00 H new ATOM 0 HB3 LEU A 294 10.337 2.573 6.411 1.00 0.00 H new ATOM 0 HG LEU A 294 8.812 4.676 6.995 1.00 0.00 H new ATOM 0 HD11 LEU A 294 6.741 3.969 8.110 1.00 0.00 H new ATOM 0 HD12 LEU A 294 6.711 3.620 6.365 1.00 0.00 H new ATOM 0 HD13 LEU A 294 7.003 2.307 7.530 1.00 0.00 H new ATOM 0 HD21 LEU A 294 8.860 3.958 9.347 1.00 0.00 H new ATOM 0 HD22 LEU A 294 9.222 2.295 8.825 1.00 0.00 H new ATOM 0 HD23 LEU A 294 10.390 3.600 8.511 1.00 0.00 H new ATOM 949 N ASP A 295 10.993 2.846 3.169 1.00 0.00 N ATOM 950 CA ASP A 295 11.511 2.261 1.954 1.00 0.00 C ATOM 951 C ASP A 295 12.289 0.988 2.237 1.00 0.00 C ATOM 952 O ASP A 295 12.858 0.806 3.319 1.00 0.00 O ATOM 953 CB ASP A 295 12.391 3.295 1.243 1.00 0.00 C ATOM 954 CG ASP A 295 12.881 2.837 -0.112 1.00 0.00 C ATOM 955 OD1 ASP A 295 12.047 2.418 -0.938 1.00 0.00 O ATOM 956 OD2 ASP A 295 14.104 2.900 -0.356 1.00 0.00 O ATOM 0 H ASP A 295 11.589 3.574 3.563 1.00 0.00 H new ATOM 0 HA ASP A 295 10.677 1.985 1.309 1.00 0.00 H new ATOM 0 HB2 ASP A 295 11.827 4.220 1.123 1.00 0.00 H new ATOM 0 HB3 ASP A 295 13.250 3.525 1.873 1.00 0.00 H new ATOM 961 N GLN A 296 12.322 0.122 1.239 1.00 0.00 N ATOM 962 CA GLN A 296 12.955 -1.192 1.354 1.00 0.00 C ATOM 963 C GLN A 296 14.473 -1.078 1.281 1.00 0.00 C ATOM 964 O GLN A 296 15.178 -2.078 1.131 1.00 0.00 O ATOM 965 CB GLN A 296 12.420 -2.176 0.293 1.00 0.00 C ATOM 966 CG GLN A 296 13.019 -2.055 -1.110 1.00 0.00 C ATOM 967 CD GLN A 296 12.871 -0.681 -1.730 1.00 0.00 C ATOM 968 OE1 GLN A 296 13.755 0.161 -1.599 1.00 0.00 O ATOM 969 NE2 GLN A 296 11.760 -0.444 -2.416 1.00 0.00 N ATOM 0 H GLN A 296 11.912 0.305 0.323 1.00 0.00 H new ATOM 0 HA GLN A 296 12.695 -1.595 2.333 1.00 0.00 H new ATOM 0 HB2 GLN A 296 12.591 -3.191 0.651 1.00 0.00 H new ATOM 0 HB3 GLN A 296 11.341 -2.043 0.217 1.00 0.00 H new ATOM 0 HG2 GLN A 296 14.078 -2.309 -1.064 1.00 0.00 H new ATOM 0 HG3 GLN A 296 12.543 -2.789 -1.761 1.00 0.00 H new ATOM 0 HE21 GLN A 296 11.049 -1.170 -2.502 1.00 0.00 H new ATOM 0 HE22 GLN A 296 11.617 0.464 -2.858 1.00 0.00 H new ATOM 978 N GLN A 297 14.965 0.152 1.378 1.00 0.00 N ATOM 979 CA GLN A 297 16.364 0.388 1.679 1.00 0.00 C ATOM 980 C GLN A 297 16.685 -0.271 3.014 1.00 0.00 C ATOM 981 O GLN A 297 17.770 -0.802 3.224 1.00 0.00 O ATOM 982 CB GLN A 297 16.656 1.887 1.753 1.00 0.00 C ATOM 983 CG GLN A 297 15.783 2.625 2.755 1.00 0.00 C ATOM 984 CD GLN A 297 16.335 3.981 3.126 1.00 0.00 C ATOM 985 OE1 GLN A 297 16.013 4.993 2.505 1.00 0.00 O ATOM 986 NE2 GLN A 297 17.178 4.002 4.143 1.00 0.00 N ATOM 0 H GLN A 297 14.411 0.999 1.252 1.00 0.00 H new ATOM 0 HA GLN A 297 16.984 -0.036 0.889 1.00 0.00 H new ATOM 0 HB2 GLN A 297 17.703 2.033 2.018 1.00 0.00 H new ATOM 0 HB3 GLN A 297 16.513 2.326 0.766 1.00 0.00 H new ATOM 0 HG2 GLN A 297 14.783 2.747 2.338 1.00 0.00 H new ATOM 0 HG3 GLN A 297 15.682 2.020 3.656 1.00 0.00 H new ATOM 0 HE21 GLN A 297 17.415 3.136 4.627 1.00 0.00 H new ATOM 0 HE22 GLN A 297 17.592 4.884 4.444 1.00 0.00 H new ATOM 995 N ASN A 298 15.706 -0.232 3.909 1.00 0.00 N ATOM 996 CA ASN A 298 15.794 -0.904 5.192 1.00 0.00 C ATOM 997 C ASN A 298 14.455 -1.575 5.486 1.00 0.00 C ATOM 998 O ASN A 298 13.640 -1.053 6.249 1.00 0.00 O ATOM 999 CB ASN A 298 16.158 0.086 6.309 1.00 0.00 C ATOM 1000 CG ASN A 298 16.403 -0.594 7.649 1.00 0.00 C ATOM 1001 OD1 ASN A 298 17.522 -1.006 7.951 1.00 0.00 O ATOM 1002 ND2 ASN A 298 15.363 -0.709 8.462 1.00 0.00 N ATOM 0 H ASN A 298 14.829 0.268 3.762 1.00 0.00 H new ATOM 0 HA ASN A 298 16.583 -1.655 5.152 1.00 0.00 H new ATOM 0 HB2 ASN A 298 17.051 0.639 6.020 1.00 0.00 H new ATOM 0 HB3 ASN A 298 15.354 0.814 6.419 1.00 0.00 H new ATOM 0 HD21 ASN A 298 15.475 -1.152 9.374 1.00 0.00 H new ATOM 0 HD22 ASN A 298 14.450 -0.355 8.176 1.00 0.00 H new TER 1009 ASN A 298