USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 599 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 224 ASN : amide:sc= -1.62! C(o=-2.1!,f=-2.3!) USER MOD Set 1.2: A 232 THR OG1 : rot 160:sc= -0.473 USER MOD Set 2.1: A 194 HIS : no HD1:sc= -1.13 X(o=-1.2,f=-0.85) USER MOD Set 2.2: A 197 TYR OH : rot 60:sc= -0.039 USER MOD Set 3.1: A 182 HIS : no HD1:sc= -0.0306 X(o=-0.031,f=-0.52) USER MOD Set 3.2: A 186 MET CE :methyl -144:sc= 0 (180deg=0) USER MOD Single : A 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 181 GLN : amide:sc= -5.47! C(o=-5.5!,f=-4.1!) USER MOD Single : A 189 SER OG : rot -36:sc= 0.715 USER MOD Single : A 193 LYS NZ :NH3+ -161:sc= -0.0369 (180deg=-0.349) USER MOD Single : A 195 GLN : amide:sc= -7.69! C(o=-7.7!,f=-14!) USER MOD Single : A 196 TYR OH : rot 180:sc= 0 USER MOD Single : A 198 ASN : amide:sc= -3.74! C(o=-3.7!,f=-16!) USER MOD Single : A 200 LYS NZ :NH3+ 129:sc= -0.0827 (180deg=-0.628) USER MOD Single : A 206 THR OG1 : rot 33:sc= 0.768 USER MOD Single : A 207 LYS NZ :NH3+ -135:sc= -0.0916 (180deg=-0.67) USER MOD Single : A 208 GLN : amide:sc= -5.32! C(o=-5.3!,f=-13!) USER MOD Single : A 212 TYR OH : rot 68:sc= 0.465 USER MOD Single : A 214 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 LYS NZ :NH3+ -158:sc= -0.0708 (180deg=-0.692) USER MOD Single : A 223 GLN : amide:sc= -12.9! C(o=-13!,f=-1.1!) USER MOD Single : A 226 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 229 HIS : no HD1:sc= -3.08! C(o=-3.1!,f=-2.2!) USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 231 ASN : amide:sc= -0.0546 X(o=-0.055,f=-0.055) USER MOD Single : A 236 LYS NZ :NH3+ 175:sc= -0.946 (180deg=-1.04) USER MOD Single : A 239 TYR OH : rot -24:sc= -0.483 USER MOD Single : A 241 HIS : no HD1:sc= -0.0686 X(o=-0.069,f=0) USER MOD Single : A 242 TYR OH : rot 136:sc= 0.176 USER MOD Single : A 243 GLN : amide:sc= 0.0822 X(o=0.082,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 175 3.344 -13.235 -10.685 1.00 0.00 N ATOM 2 CA ARG A 175 3.112 -12.187 -11.717 1.00 0.00 C ATOM 3 C ARG A 175 3.512 -10.821 -11.159 1.00 0.00 C ATOM 4 O ARG A 175 4.516 -10.688 -10.487 1.00 0.00 O ATOM 5 CB ARG A 175 1.630 -12.192 -12.123 1.00 0.00 C ATOM 6 CG ARG A 175 0.741 -11.909 -10.903 1.00 0.00 C ATOM 7 CD ARG A 175 -0.729 -12.105 -11.280 1.00 0.00 C ATOM 8 NE ARG A 175 -1.013 -11.436 -12.594 1.00 0.00 N ATOM 9 CZ ARG A 175 -0.814 -10.158 -12.762 1.00 0.00 C ATOM 10 NH1 ARG A 175 -0.535 -9.401 -11.740 1.00 0.00 N ATOM 11 NH2 ARG A 175 -0.961 -9.620 -13.942 1.00 0.00 N ATOM 0 HA ARG A 175 3.719 -12.394 -12.598 1.00 0.00 H new ATOM 0 HB2 ARG A 175 1.454 -11.440 -12.892 1.00 0.00 H new ATOM 0 HB3 ARG A 175 1.368 -13.157 -12.556 1.00 0.00 H new ATOM 0 HG2 ARG A 175 1.008 -12.576 -10.083 1.00 0.00 H new ATOM 0 HG3 ARG A 175 0.904 -10.890 -10.551 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -0.958 -13.169 -11.347 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -1.371 -11.689 -10.504 1.00 0.00 H new ATOM 0 HE ARG A 175 -1.369 -11.993 -13.371 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -0.472 -9.807 -10.807 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -0.380 -8.402 -11.873 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -1.232 -10.199 -14.736 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -0.805 -8.620 -14.070 1.00 0.00 H new ATOM 25 N ALA A 176 2.739 -9.805 -11.418 1.00 0.00 N ATOM 26 CA ALA A 176 3.083 -8.460 -10.887 1.00 0.00 C ATOM 27 C ALA A 176 3.028 -8.490 -9.356 1.00 0.00 C ATOM 28 O ALA A 176 3.015 -7.464 -8.704 1.00 0.00 O ATOM 29 CB ALA A 176 2.097 -7.423 -11.432 1.00 0.00 C ATOM 0 H ALA A 176 1.885 -9.848 -11.974 1.00 0.00 H new ATOM 0 HA ALA A 176 4.090 -8.187 -11.203 1.00 0.00 H new ATOM 0 HB1 ALA A 176 2.352 -6.438 -11.041 1.00 0.00 H new ATOM 0 HB2 ALA A 176 2.151 -7.406 -12.521 1.00 0.00 H new ATOM 0 HB3 ALA A 176 1.085 -7.685 -11.123 1.00 0.00 H new ATOM 35 N ARG A 177 3.007 -9.661 -8.772 1.00 0.00 N ATOM 36 CA ARG A 177 2.966 -9.743 -7.294 1.00 0.00 C ATOM 37 C ARG A 177 4.312 -9.297 -6.724 1.00 0.00 C ATOM 38 O ARG A 177 4.411 -8.907 -5.576 1.00 0.00 O ATOM 39 CB ARG A 177 2.664 -11.174 -6.860 1.00 0.00 C ATOM 40 CG ARG A 177 2.682 -11.243 -5.332 1.00 0.00 C ATOM 41 CD ARG A 177 2.001 -12.527 -4.873 1.00 0.00 C ATOM 42 NE ARG A 177 2.041 -12.611 -3.375 1.00 0.00 N ATOM 43 CZ ARG A 177 3.166 -12.709 -2.724 1.00 0.00 C ATOM 44 NH1 ARG A 177 4.292 -12.818 -3.370 1.00 0.00 N ATOM 45 NH2 ARG A 177 3.164 -12.724 -1.420 1.00 0.00 N ATOM 0 H ARG A 177 3.017 -10.557 -9.259 1.00 0.00 H new ATOM 0 HA ARG A 177 2.180 -9.089 -6.917 1.00 0.00 H new ATOM 0 HB2 ARG A 177 1.691 -11.486 -7.240 1.00 0.00 H new ATOM 0 HB3 ARG A 177 3.403 -11.858 -7.277 1.00 0.00 H new ATOM 0 HG2 ARG A 177 3.709 -11.213 -4.968 1.00 0.00 H new ATOM 0 HG3 ARG A 177 2.170 -10.377 -4.912 1.00 0.00 H new ATOM 0 HD2 ARG A 177 0.968 -12.547 -5.221 1.00 0.00 H new ATOM 0 HD3 ARG A 177 2.501 -13.392 -5.309 1.00 0.00 H new ATOM 0 HE ARG A 177 1.165 -12.591 -2.853 1.00 0.00 H new ATOM 0 HH11 ARG A 177 4.296 -12.827 -4.390 1.00 0.00 H new ATOM 0 HH12 ARG A 177 5.170 -12.894 -2.856 1.00 0.00 H new ATOM 0 HH21 ARG A 177 2.283 -12.659 -0.911 1.00 0.00 H new ATOM 0 HH22 ARG A 177 4.044 -12.801 -0.910 1.00 0.00 H new ATOM 59 N ALA A 178 5.351 -9.310 -7.516 1.00 0.00 N ATOM 60 CA ALA A 178 6.653 -8.833 -6.990 1.00 0.00 C ATOM 61 C ALA A 178 6.456 -7.366 -6.660 1.00 0.00 C ATOM 62 O ALA A 178 6.817 -6.887 -5.603 1.00 0.00 O ATOM 63 CB ALA A 178 7.730 -8.976 -8.063 1.00 0.00 C ATOM 0 H ALA A 178 5.352 -9.625 -8.486 1.00 0.00 H new ATOM 0 HA ALA A 178 6.967 -9.406 -6.118 1.00 0.00 H new ATOM 0 HB1 ALA A 178 8.684 -8.624 -7.670 1.00 0.00 H new ATOM 0 HB2 ALA A 178 7.820 -10.024 -8.350 1.00 0.00 H new ATOM 0 HB3 ALA A 178 7.456 -8.383 -8.935 1.00 0.00 H new ATOM 69 N ASP A 179 5.834 -6.659 -7.561 1.00 0.00 N ATOM 70 CA ASP A 179 5.552 -5.227 -7.316 1.00 0.00 C ATOM 71 C ASP A 179 4.609 -5.121 -6.113 1.00 0.00 C ATOM 72 O ASP A 179 4.755 -4.267 -5.278 1.00 0.00 O ATOM 73 CB ASP A 179 4.888 -4.614 -8.554 1.00 0.00 C ATOM 74 CG ASP A 179 5.912 -4.496 -9.690 1.00 0.00 C ATOM 75 OD1 ASP A 179 7.094 -4.538 -9.402 1.00 0.00 O ATOM 76 OD2 ASP A 179 5.493 -4.370 -10.830 1.00 0.00 O ATOM 0 H ASP A 179 5.509 -7.017 -8.459 1.00 0.00 H new ATOM 0 HA ASP A 179 6.478 -4.689 -7.113 1.00 0.00 H new ATOM 0 HB2 ASP A 179 4.049 -5.233 -8.872 1.00 0.00 H new ATOM 0 HB3 ASP A 179 4.485 -3.631 -8.312 1.00 0.00 H new ATOM 81 N LYS A 180 3.642 -5.989 -6.014 1.00 0.00 N ATOM 82 CA LYS A 180 2.696 -5.923 -4.859 1.00 0.00 C ATOM 83 C LYS A 180 3.457 -5.878 -3.529 1.00 0.00 C ATOM 84 O LYS A 180 3.318 -4.952 -2.757 1.00 0.00 O ATOM 85 CB LYS A 180 1.803 -7.164 -4.880 1.00 0.00 C ATOM 86 CG LYS A 180 0.805 -7.115 -3.728 1.00 0.00 C ATOM 87 CD LYS A 180 -0.126 -8.322 -3.830 1.00 0.00 C ATOM 88 CE LYS A 180 -1.108 -8.313 -2.661 1.00 0.00 C ATOM 89 NZ LYS A 180 -2.090 -9.422 -2.832 1.00 0.00 N ATOM 0 H LYS A 180 3.463 -6.741 -6.680 1.00 0.00 H new ATOM 0 HA LYS A 180 2.098 -5.016 -4.948 1.00 0.00 H new ATOM 0 HB2 LYS A 180 1.271 -7.222 -5.829 1.00 0.00 H new ATOM 0 HB3 LYS A 180 2.415 -8.063 -4.802 1.00 0.00 H new ATOM 0 HG2 LYS A 180 1.331 -7.124 -2.773 1.00 0.00 H new ATOM 0 HG3 LYS A 180 0.229 -6.190 -3.767 1.00 0.00 H new ATOM 0 HD2 LYS A 180 -0.669 -8.296 -4.775 1.00 0.00 H new ATOM 0 HD3 LYS A 180 0.455 -9.244 -3.822 1.00 0.00 H new ATOM 0 HE2 LYS A 180 -0.571 -8.430 -1.720 1.00 0.00 H new ATOM 0 HE3 LYS A 180 -1.628 -7.356 -2.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 -2.760 -9.418 -2.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 -2.610 -9.291 -3.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 -1.586 -10.331 -2.855 1.00 0.00 H new ATOM 103 N GLN A 181 4.248 -6.873 -3.241 1.00 0.00 N ATOM 104 CA GLN A 181 4.986 -6.874 -1.948 1.00 0.00 C ATOM 105 C GLN A 181 5.889 -5.644 -1.872 1.00 0.00 C ATOM 106 O GLN A 181 5.941 -4.951 -0.874 1.00 0.00 O ATOM 107 CB GLN A 181 5.845 -8.143 -1.872 1.00 0.00 C ATOM 108 CG GLN A 181 6.481 -8.257 -0.484 1.00 0.00 C ATOM 109 CD GLN A 181 7.678 -7.315 -0.384 1.00 0.00 C ATOM 110 OE1 GLN A 181 8.717 -7.559 -0.969 1.00 0.00 O ATOM 111 NE2 GLN A 181 7.568 -6.232 0.327 1.00 0.00 N ATOM 0 H GLN A 181 4.415 -7.681 -3.841 1.00 0.00 H new ATOM 0 HA GLN A 181 4.279 -6.851 -1.118 1.00 0.00 H new ATOM 0 HB2 GLN A 181 5.231 -9.021 -2.074 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.621 -8.114 -2.636 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.747 -8.010 0.283 1.00 0.00 H new ATOM 0 HG3 GLN A 181 6.799 -9.284 -0.303 1.00 0.00 H new ATOM 0 HE21 GLN A 181 6.696 -6.030 0.816 1.00 0.00 H new ATOM 0 HE22 GLN A 181 8.353 -5.585 0.395 1.00 0.00 H new ATOM 120 N HIS A 182 6.582 -5.364 -2.931 1.00 0.00 N ATOM 121 CA HIS A 182 7.479 -4.186 -2.958 1.00 0.00 C ATOM 122 C HIS A 182 6.655 -2.900 -2.907 1.00 0.00 C ATOM 123 O HIS A 182 7.050 -1.914 -2.317 1.00 0.00 O ATOM 124 CB HIS A 182 8.281 -4.246 -4.249 1.00 0.00 C ATOM 125 CG HIS A 182 9.202 -3.078 -4.321 1.00 0.00 C ATOM 126 ND1 HIS A 182 9.805 -2.534 -3.202 1.00 0.00 N ATOM 127 CD2 HIS A 182 9.620 -2.330 -5.381 1.00 0.00 C ATOM 128 CE1 HIS A 182 10.547 -1.491 -3.612 1.00 0.00 C ATOM 129 NE2 HIS A 182 10.470 -1.322 -4.937 1.00 0.00 N ATOM 0 H HIS A 182 6.565 -5.910 -3.793 1.00 0.00 H new ATOM 0 HA HIS A 182 8.147 -4.193 -2.096 1.00 0.00 H new ATOM 0 HB2 HIS A 182 8.851 -5.174 -4.292 1.00 0.00 H new ATOM 0 HB3 HIS A 182 7.609 -4.245 -5.107 1.00 0.00 H new ATOM 0 HD2 HIS A 182 9.335 -2.495 -6.410 1.00 0.00 H new ATOM 0 HE1 HIS A 182 11.133 -0.867 -2.954 1.00 0.00 H new ATOM 0 HE2 HIS A 182 10.934 -0.609 -5.500 1.00 0.00 H new ATOM 137 N VAL A 183 5.515 -2.896 -3.532 1.00 0.00 N ATOM 138 CA VAL A 183 4.676 -1.675 -3.527 1.00 0.00 C ATOM 139 C VAL A 183 4.174 -1.427 -2.112 1.00 0.00 C ATOM 140 O VAL A 183 4.080 -0.299 -1.677 1.00 0.00 O ATOM 141 CB VAL A 183 3.486 -1.848 -4.486 1.00 0.00 C ATOM 142 CG1 VAL A 183 2.486 -0.687 -4.282 1.00 0.00 C ATOM 143 CG2 VAL A 183 3.992 -1.864 -5.956 1.00 0.00 C ATOM 0 H VAL A 183 5.129 -3.688 -4.046 1.00 0.00 H new ATOM 0 HA VAL A 183 5.268 -0.823 -3.861 1.00 0.00 H new ATOM 0 HB VAL A 183 2.985 -2.793 -4.276 1.00 0.00 H new ATOM 0 HG11 VAL A 183 1.643 -0.810 -4.962 1.00 0.00 H new ATOM 0 HG12 VAL A 183 2.127 -0.693 -3.253 1.00 0.00 H new ATOM 0 HG13 VAL A 183 2.983 0.261 -4.487 1.00 0.00 H new ATOM 0 HG21 VAL A 183 3.145 -1.987 -6.631 1.00 0.00 H new ATOM 0 HG22 VAL A 183 4.499 -0.924 -6.177 1.00 0.00 H new ATOM 0 HG23 VAL A 183 4.688 -2.692 -6.092 1.00 0.00 H new ATOM 153 N LEU A 184 3.861 -2.454 -1.371 1.00 0.00 N ATOM 154 CA LEU A 184 3.387 -2.201 0.007 1.00 0.00 C ATOM 155 C LEU A 184 4.468 -1.426 0.749 1.00 0.00 C ATOM 156 O LEU A 184 4.181 -0.504 1.486 1.00 0.00 O ATOM 157 CB LEU A 184 3.107 -3.527 0.723 1.00 0.00 C ATOM 158 CG LEU A 184 1.858 -4.192 0.122 1.00 0.00 C ATOM 159 CD1 LEU A 184 1.692 -5.594 0.721 1.00 0.00 C ATOM 160 CD2 LEU A 184 0.600 -3.347 0.420 1.00 0.00 C ATOM 0 H LEU A 184 3.913 -3.432 -1.655 1.00 0.00 H new ATOM 0 HA LEU A 184 2.462 -1.625 -0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 184 3.966 -4.191 0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 184 2.959 -3.351 1.788 1.00 0.00 H new ATOM 0 HG LEU A 184 1.980 -4.265 -0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 184 0.807 -6.068 0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 184 2.572 -6.195 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 184 1.579 -5.517 1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -0.275 -3.832 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 184 0.469 -3.257 1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.717 -2.355 -0.015 1.00 0.00 H new ATOM 172 N ASP A 185 5.710 -1.767 0.545 1.00 0.00 N ATOM 173 CA ASP A 185 6.797 -1.021 1.238 1.00 0.00 C ATOM 174 C ASP A 185 6.648 0.471 0.927 1.00 0.00 C ATOM 175 O ASP A 185 6.787 1.310 1.792 1.00 0.00 O ATOM 176 CB ASP A 185 8.161 -1.505 0.741 1.00 0.00 C ATOM 177 CG ASP A 185 8.410 -2.932 1.230 1.00 0.00 C ATOM 178 OD1 ASP A 185 7.687 -3.370 2.108 1.00 0.00 O ATOM 179 OD2 ASP A 185 9.319 -3.564 0.713 1.00 0.00 O ATOM 0 H ASP A 185 6.018 -2.523 -0.066 1.00 0.00 H new ATOM 0 HA ASP A 185 6.728 -1.191 2.312 1.00 0.00 H new ATOM 0 HB2 ASP A 185 8.195 -1.472 -0.348 1.00 0.00 H new ATOM 0 HB3 ASP A 185 8.947 -0.843 1.104 1.00 0.00 H new ATOM 184 N MET A 186 6.360 0.806 -0.303 1.00 0.00 N ATOM 185 CA MET A 186 6.195 2.244 -0.661 1.00 0.00 C ATOM 186 C MET A 186 5.042 2.835 0.136 1.00 0.00 C ATOM 187 O MET A 186 5.080 3.975 0.554 1.00 0.00 O ATOM 188 CB MET A 186 5.868 2.375 -2.154 1.00 0.00 C ATOM 189 CG MET A 186 7.030 1.841 -2.994 1.00 0.00 C ATOM 190 SD MET A 186 8.500 2.860 -2.703 1.00 0.00 S ATOM 191 CE MET A 186 9.587 2.047 -3.895 1.00 0.00 C ATOM 0 H MET A 186 6.232 0.148 -1.072 1.00 0.00 H new ATOM 0 HA MET A 186 7.122 2.772 -0.436 1.00 0.00 H new ATOM 0 HB2 MET A 186 4.958 1.822 -2.385 1.00 0.00 H new ATOM 0 HB3 MET A 186 5.679 3.419 -2.403 1.00 0.00 H new ATOM 0 HG2 MET A 186 7.236 0.803 -2.732 1.00 0.00 H new ATOM 0 HG3 MET A 186 6.766 1.857 -4.052 1.00 0.00 H new ATOM 0 HE1 MET A 186 10.603 2.018 -3.501 1.00 0.00 H new ATOM 0 HE2 MET A 186 9.237 1.030 -4.071 1.00 0.00 H new ATOM 0 HE3 MET A 186 9.578 2.602 -4.833 1.00 0.00 H new ATOM 201 N LEU A 187 4.007 2.076 0.339 1.00 0.00 N ATOM 202 CA LEU A 187 2.846 2.607 1.094 1.00 0.00 C ATOM 203 C LEU A 187 3.273 2.911 2.527 1.00 0.00 C ATOM 204 O LEU A 187 2.972 3.958 3.061 1.00 0.00 O ATOM 205 CB LEU A 187 1.727 1.568 1.103 1.00 0.00 C ATOM 206 CG LEU A 187 1.330 1.186 -0.329 1.00 0.00 C ATOM 207 CD1 LEU A 187 0.156 0.198 -0.272 1.00 0.00 C ATOM 208 CD2 LEU A 187 0.926 2.440 -1.127 1.00 0.00 C ATOM 0 H LEU A 187 3.915 1.113 0.015 1.00 0.00 H new ATOM 0 HA LEU A 187 2.487 3.520 0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 187 2.053 0.680 1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 187 0.860 1.964 1.633 1.00 0.00 H new ATOM 0 HG LEU A 187 2.180 0.722 -0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -0.135 -0.080 -1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 187 0.457 -0.694 0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -0.689 0.666 0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 187 0.647 2.152 -2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 187 0.078 2.923 -0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 187 1.766 3.133 -1.165 1.00 0.00 H new ATOM 220 N PHE A 188 3.988 2.020 3.156 1.00 0.00 N ATOM 221 CA PHE A 188 4.423 2.303 4.546 1.00 0.00 C ATOM 222 C PHE A 188 5.264 3.579 4.558 1.00 0.00 C ATOM 223 O PHE A 188 5.131 4.400 5.438 1.00 0.00 O ATOM 224 CB PHE A 188 5.238 1.129 5.103 1.00 0.00 C ATOM 225 CG PHE A 188 4.303 0.004 5.474 1.00 0.00 C ATOM 226 CD1 PHE A 188 3.629 0.041 6.697 1.00 0.00 C ATOM 227 CD2 PHE A 188 4.102 -1.066 4.597 1.00 0.00 C ATOM 228 CE1 PHE A 188 2.753 -0.992 7.046 1.00 0.00 C ATOM 229 CE2 PHE A 188 3.226 -2.099 4.943 1.00 0.00 C ATOM 230 CZ PHE A 188 2.551 -2.062 6.169 1.00 0.00 C ATOM 0 H PHE A 188 4.285 1.123 2.773 1.00 0.00 H new ATOM 0 HA PHE A 188 3.544 2.438 5.177 1.00 0.00 H new ATOM 0 HB2 PHE A 188 5.960 0.788 4.361 1.00 0.00 H new ATOM 0 HB3 PHE A 188 5.806 1.448 5.977 1.00 0.00 H new ATOM 0 HD1 PHE A 188 3.784 0.868 7.374 1.00 0.00 H new ATOM 0 HD2 PHE A 188 4.624 -1.095 3.652 1.00 0.00 H new ATOM 0 HE1 PHE A 188 2.233 -0.963 7.992 1.00 0.00 H new ATOM 0 HE2 PHE A 188 3.070 -2.925 4.265 1.00 0.00 H new ATOM 0 HZ PHE A 188 1.874 -2.860 6.437 1.00 0.00 H new ATOM 240 N SER A 189 6.112 3.773 3.589 1.00 0.00 N ATOM 241 CA SER A 189 6.923 5.024 3.588 1.00 0.00 C ATOM 242 C SER A 189 5.972 6.217 3.505 1.00 0.00 C ATOM 243 O SER A 189 6.120 7.202 4.207 1.00 0.00 O ATOM 244 CB SER A 189 7.878 5.041 2.395 1.00 0.00 C ATOM 245 OG SER A 189 7.133 5.057 1.185 1.00 0.00 O ATOM 0 H SER A 189 6.278 3.135 2.811 1.00 0.00 H new ATOM 0 HA SER A 189 7.516 5.076 4.501 1.00 0.00 H new ATOM 0 HB2 SER A 189 8.524 5.917 2.447 1.00 0.00 H new ATOM 0 HB3 SER A 189 8.526 4.165 2.423 1.00 0.00 H new ATOM 0 HG SER A 189 6.329 4.506 1.289 1.00 0.00 H new ATOM 251 N ALA A 190 4.984 6.127 2.659 1.00 0.00 N ATOM 252 CA ALA A 190 4.006 7.238 2.542 1.00 0.00 C ATOM 253 C ALA A 190 3.188 7.316 3.831 1.00 0.00 C ATOM 254 O ALA A 190 3.075 8.355 4.441 1.00 0.00 O ATOM 255 CB ALA A 190 3.082 6.980 1.347 1.00 0.00 C ATOM 0 H ALA A 190 4.814 5.331 2.044 1.00 0.00 H new ATOM 0 HA ALA A 190 4.529 8.182 2.387 1.00 0.00 H new ATOM 0 HB1 ALA A 190 2.363 7.795 1.260 1.00 0.00 H new ATOM 0 HB2 ALA A 190 3.675 6.920 0.435 1.00 0.00 H new ATOM 0 HB3 ALA A 190 2.549 6.041 1.495 1.00 0.00 H new ATOM 261 N PHE A 191 2.631 6.213 4.252 1.00 0.00 N ATOM 262 CA PHE A 191 1.817 6.218 5.502 1.00 0.00 C ATOM 263 C PHE A 191 2.713 6.526 6.708 1.00 0.00 C ATOM 264 O PHE A 191 2.244 6.957 7.741 1.00 0.00 O ATOM 265 CB PHE A 191 1.111 4.866 5.661 1.00 0.00 C ATOM 266 CG PHE A 191 -0.123 4.845 4.776 1.00 0.00 C ATOM 267 CD1 PHE A 191 -1.227 5.648 5.098 1.00 0.00 C ATOM 268 CD2 PHE A 191 -0.158 4.040 3.633 1.00 0.00 C ATOM 269 CE1 PHE A 191 -2.365 5.644 4.280 1.00 0.00 C ATOM 270 CE2 PHE A 191 -1.294 4.034 2.811 1.00 0.00 C ATOM 271 CZ PHE A 191 -2.398 4.835 3.135 1.00 0.00 C ATOM 0 H PHE A 191 2.704 5.309 3.785 1.00 0.00 H new ATOM 0 HA PHE A 191 1.056 6.996 5.443 1.00 0.00 H new ATOM 0 HB2 PHE A 191 1.785 4.055 5.386 1.00 0.00 H new ATOM 0 HB3 PHE A 191 0.830 4.708 6.702 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -1.200 6.272 5.979 1.00 0.00 H new ATOM 0 HD2 PHE A 191 0.692 3.422 3.383 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -3.214 6.262 4.531 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -1.318 3.412 1.928 1.00 0.00 H new ATOM 0 HZ PHE A 191 -3.274 4.829 2.503 1.00 0.00 H new ATOM 281 N GLU A 192 4.000 6.340 6.583 1.00 0.00 N ATOM 282 CA GLU A 192 4.906 6.668 7.724 1.00 0.00 C ATOM 283 C GLU A 192 4.958 8.193 7.883 1.00 0.00 C ATOM 284 O GLU A 192 5.184 8.708 8.960 1.00 0.00 O ATOM 285 CB GLU A 192 6.320 6.111 7.454 1.00 0.00 C ATOM 286 CG GLU A 192 6.426 4.675 7.978 1.00 0.00 C ATOM 287 CD GLU A 192 7.643 3.986 7.355 1.00 0.00 C ATOM 288 OE1 GLU A 192 8.726 4.137 7.896 1.00 0.00 O ATOM 289 OE2 GLU A 192 7.470 3.323 6.347 1.00 0.00 O ATOM 0 H GLU A 192 4.461 5.978 5.748 1.00 0.00 H new ATOM 0 HA GLU A 192 4.529 6.214 8.641 1.00 0.00 H new ATOM 0 HB2 GLU A 192 6.531 6.133 6.385 1.00 0.00 H new ATOM 0 HB3 GLU A 192 7.066 6.740 7.939 1.00 0.00 H new ATOM 0 HG2 GLU A 192 6.515 4.680 9.064 1.00 0.00 H new ATOM 0 HG3 GLU A 192 5.519 4.121 7.735 1.00 0.00 H new ATOM 296 N LYS A 193 4.760 8.921 6.815 1.00 0.00 N ATOM 297 CA LYS A 193 4.807 10.411 6.906 1.00 0.00 C ATOM 298 C LYS A 193 3.430 10.961 7.306 1.00 0.00 C ATOM 299 O LYS A 193 3.331 11.965 7.985 1.00 0.00 O ATOM 300 CB LYS A 193 5.192 10.978 5.543 1.00 0.00 C ATOM 301 CG LYS A 193 6.615 10.541 5.179 1.00 0.00 C ATOM 302 CD LYS A 193 6.939 11.042 3.772 1.00 0.00 C ATOM 303 CE LYS A 193 8.382 10.688 3.414 1.00 0.00 C ATOM 304 NZ LYS A 193 9.305 11.514 4.240 1.00 0.00 N ATOM 0 H LYS A 193 4.568 8.549 5.885 1.00 0.00 H new ATOM 0 HA LYS A 193 5.540 10.702 7.659 1.00 0.00 H new ATOM 0 HB2 LYS A 193 4.491 10.631 4.784 1.00 0.00 H new ATOM 0 HB3 LYS A 193 5.130 12.066 5.561 1.00 0.00 H new ATOM 0 HG2 LYS A 193 7.329 10.944 5.897 1.00 0.00 H new ATOM 0 HG3 LYS A 193 6.699 9.455 5.222 1.00 0.00 H new ATOM 0 HD2 LYS A 193 6.256 10.594 3.051 1.00 0.00 H new ATOM 0 HD3 LYS A 193 6.796 12.121 3.719 1.00 0.00 H new ATOM 0 HE2 LYS A 193 8.565 9.628 3.592 1.00 0.00 H new ATOM 0 HE3 LYS A 193 8.562 10.869 2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 193 10.247 11.528 3.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 193 8.939 12.485 4.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 193 9.375 11.107 5.194 1.00 0.00 H new ATOM 318 N HIS A 194 2.367 10.321 6.892 1.00 0.00 N ATOM 319 CA HIS A 194 1.004 10.819 7.254 1.00 0.00 C ATOM 320 C HIS A 194 0.031 9.643 7.346 1.00 0.00 C ATOM 321 O HIS A 194 0.160 8.654 6.673 1.00 0.00 O ATOM 322 CB HIS A 194 0.520 11.820 6.196 1.00 0.00 C ATOM 323 CG HIS A 194 1.228 13.132 6.388 1.00 0.00 C ATOM 324 ND1 HIS A 194 1.973 13.727 5.382 1.00 0.00 N ATOM 325 CD2 HIS A 194 1.323 13.965 7.471 1.00 0.00 C ATOM 326 CE1 HIS A 194 2.485 14.868 5.880 1.00 0.00 C ATOM 327 NE2 HIS A 194 2.119 15.062 7.150 1.00 0.00 N ATOM 0 H HIS A 194 2.382 9.477 6.320 1.00 0.00 H new ATOM 0 HA HIS A 194 1.049 11.319 8.222 1.00 0.00 H new ATOM 0 HB2 HIS A 194 0.715 11.432 5.196 1.00 0.00 H new ATOM 0 HB3 HIS A 194 -0.558 11.960 6.279 1.00 0.00 H new ATOM 0 HD2 HIS A 194 0.852 13.797 8.428 1.00 0.00 H new ATOM 0 HE1 HIS A 194 3.115 15.544 5.321 1.00 0.00 H new ATOM 0 HE2 HIS A 194 2.369 15.845 7.754 1.00 0.00 H new ATOM 335 N GLN A 195 -0.927 9.728 8.205 1.00 0.00 N ATOM 336 CA GLN A 195 -1.880 8.601 8.356 1.00 0.00 C ATOM 337 C GLN A 195 -2.778 8.472 7.105 1.00 0.00 C ATOM 338 O GLN A 195 -3.134 7.381 6.707 1.00 0.00 O ATOM 339 CB GLN A 195 -2.730 8.865 9.610 1.00 0.00 C ATOM 340 CG GLN A 195 -3.359 7.566 10.139 1.00 0.00 C ATOM 341 CD GLN A 195 -4.023 6.799 9.006 1.00 0.00 C ATOM 342 OE1 GLN A 195 -4.958 7.281 8.403 1.00 0.00 O ATOM 343 NE2 GLN A 195 -3.557 5.626 8.669 1.00 0.00 N ATOM 0 H GLN A 195 -1.097 10.529 8.814 1.00 0.00 H new ATOM 0 HA GLN A 195 -1.336 7.662 8.462 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -2.109 9.314 10.386 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -3.516 9.583 9.375 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -2.593 6.947 10.606 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -4.094 7.798 10.910 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -2.770 5.224 9.179 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -3.980 5.112 7.896 1.00 0.00 H new ATOM 352 N TYR A 196 -3.183 9.567 6.503 1.00 0.00 N ATOM 353 CA TYR A 196 -4.117 9.479 5.319 1.00 0.00 C ATOM 354 C TYR A 196 -3.453 9.827 3.977 1.00 0.00 C ATOM 355 O TYR A 196 -2.631 10.713 3.873 1.00 0.00 O ATOM 356 CB TYR A 196 -5.257 10.459 5.558 1.00 0.00 C ATOM 357 CG TYR A 196 -6.010 10.050 6.800 1.00 0.00 C ATOM 358 CD1 TYR A 196 -7.078 9.146 6.716 1.00 0.00 C ATOM 359 CD2 TYR A 196 -5.634 10.575 8.040 1.00 0.00 C ATOM 360 CE1 TYR A 196 -7.771 8.770 7.871 1.00 0.00 C ATOM 361 CE2 TYR A 196 -6.328 10.199 9.198 1.00 0.00 C ATOM 362 CZ TYR A 196 -7.398 9.298 9.112 1.00 0.00 C ATOM 363 OH TYR A 196 -8.082 8.926 10.254 1.00 0.00 O ATOM 0 H TYR A 196 -2.913 10.513 6.773 1.00 0.00 H new ATOM 0 HA TYR A 196 -4.453 8.445 5.243 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -4.866 11.470 5.672 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -5.928 10.472 4.699 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -7.366 8.739 5.758 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -4.810 11.270 8.105 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -8.593 8.073 7.805 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -6.038 10.604 10.157 1.00 0.00 H new ATOM 0 HH TYR A 196 -7.695 9.383 11.030 1.00 0.00 H new ATOM 373 N TYR A 197 -3.868 9.136 2.940 1.00 0.00 N ATOM 374 CA TYR A 197 -3.353 9.388 1.557 1.00 0.00 C ATOM 375 C TYR A 197 -4.467 9.073 0.545 1.00 0.00 C ATOM 376 O TYR A 197 -5.093 8.032 0.609 1.00 0.00 O ATOM 377 CB TYR A 197 -2.142 8.481 1.267 1.00 0.00 C ATOM 378 CG TYR A 197 -0.868 9.078 1.820 1.00 0.00 C ATOM 379 CD1 TYR A 197 -0.502 8.857 3.148 1.00 0.00 C ATOM 380 CD2 TYR A 197 -0.036 9.835 0.982 1.00 0.00 C ATOM 381 CE1 TYR A 197 0.694 9.394 3.638 1.00 0.00 C ATOM 382 CE2 TYR A 197 1.159 10.375 1.476 1.00 0.00 C ATOM 383 CZ TYR A 197 1.523 10.152 2.805 1.00 0.00 C ATOM 384 OH TYR A 197 2.702 10.681 3.296 1.00 0.00 O ATOM 0 H TYR A 197 -4.560 8.389 2.998 1.00 0.00 H new ATOM 0 HA TYR A 197 -3.047 10.431 1.473 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.307 7.498 1.707 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -2.042 8.336 0.191 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -1.139 8.273 3.796 1.00 0.00 H new ATOM 0 HD2 TYR A 197 -0.317 10.002 -0.047 1.00 0.00 H new ATOM 0 HE1 TYR A 197 0.978 9.222 4.666 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.796 10.962 0.831 1.00 0.00 H new ATOM 0 HH TYR A 197 3.278 9.955 3.615 1.00 0.00 H new ATOM 394 N ASN A 198 -4.713 9.946 -0.402 1.00 0.00 N ATOM 395 CA ASN A 198 -5.771 9.664 -1.421 1.00 0.00 C ATOM 396 C ASN A 198 -5.136 8.933 -2.613 1.00 0.00 C ATOM 397 O ASN A 198 -3.932 8.877 -2.741 1.00 0.00 O ATOM 398 CB ASN A 198 -6.414 10.977 -1.890 1.00 0.00 C ATOM 399 CG ASN A 198 -5.457 11.769 -2.779 1.00 0.00 C ATOM 400 OD1 ASN A 198 -4.263 11.550 -2.762 1.00 0.00 O ATOM 401 ND2 ASN A 198 -5.946 12.690 -3.565 1.00 0.00 N ATOM 0 H ASN A 198 -4.229 10.837 -0.513 1.00 0.00 H new ATOM 0 HA ASN A 198 -6.546 9.037 -0.979 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -7.331 10.761 -2.438 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -6.694 11.578 -1.025 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -5.324 13.229 -4.168 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -6.950 12.871 -3.576 1.00 0.00 H new ATOM 408 N LEU A 199 -5.937 8.378 -3.482 1.00 0.00 N ATOM 409 CA LEU A 199 -5.383 7.656 -4.665 1.00 0.00 C ATOM 410 C LEU A 199 -4.458 8.588 -5.470 1.00 0.00 C ATOM 411 O LEU A 199 -3.409 8.184 -5.932 1.00 0.00 O ATOM 412 CB LEU A 199 -6.538 7.228 -5.577 1.00 0.00 C ATOM 413 CG LEU A 199 -7.457 6.218 -4.871 1.00 0.00 C ATOM 414 CD1 LEU A 199 -8.647 5.910 -5.789 1.00 0.00 C ATOM 415 CD2 LEU A 199 -6.693 4.915 -4.569 1.00 0.00 C ATOM 0 H LEU A 199 -6.955 8.393 -3.424 1.00 0.00 H new ATOM 0 HA LEU A 199 -4.822 6.789 -4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.115 8.104 -5.873 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -6.140 6.785 -6.490 1.00 0.00 H new ATOM 0 HG LEU A 199 -7.805 6.644 -3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -9.308 5.194 -5.300 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -9.196 6.829 -5.994 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -8.284 5.488 -6.726 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -7.358 4.211 -4.069 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -6.336 4.478 -5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -5.843 5.133 -3.922 1.00 0.00 H new ATOM 427 N LYS A 200 -4.852 9.825 -5.667 1.00 0.00 N ATOM 428 CA LYS A 200 -3.999 10.755 -6.479 1.00 0.00 C ATOM 429 C LYS A 200 -2.608 10.872 -5.854 1.00 0.00 C ATOM 430 O LYS A 200 -1.604 10.896 -6.540 1.00 0.00 O ATOM 431 CB LYS A 200 -4.639 12.153 -6.557 1.00 0.00 C ATOM 432 CG LYS A 200 -3.884 13.025 -7.592 1.00 0.00 C ATOM 433 CD LYS A 200 -4.475 12.812 -8.994 1.00 0.00 C ATOM 434 CE LYS A 200 -3.630 13.558 -10.030 1.00 0.00 C ATOM 435 NZ LYS A 200 -2.268 12.958 -10.080 1.00 0.00 N ATOM 0 H LYS A 200 -5.717 10.228 -5.306 1.00 0.00 H new ATOM 0 HA LYS A 200 -3.915 10.346 -7.486 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -5.688 12.066 -6.839 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -4.610 12.630 -5.577 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -3.956 14.077 -7.315 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -2.825 12.767 -7.592 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -4.501 11.748 -9.230 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -5.504 13.171 -9.024 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -4.102 13.499 -11.011 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -3.565 14.615 -9.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -2.021 12.739 -11.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -1.577 13.632 -9.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -2.253 12.084 -9.517 1.00 0.00 H new ATOM 449 N ASP A 201 -2.530 10.963 -4.568 1.00 0.00 N ATOM 450 CA ASP A 201 -1.201 11.087 -3.926 1.00 0.00 C ATOM 451 C ASP A 201 -0.431 9.765 -4.055 1.00 0.00 C ATOM 452 O ASP A 201 0.775 9.750 -4.201 1.00 0.00 O ATOM 453 CB ASP A 201 -1.408 11.468 -2.462 1.00 0.00 C ATOM 454 CG ASP A 201 -1.929 12.908 -2.394 1.00 0.00 C ATOM 455 OD1 ASP A 201 -1.834 13.600 -3.397 1.00 0.00 O ATOM 456 OD2 ASP A 201 -2.413 13.295 -1.345 1.00 0.00 O ATOM 0 H ASP A 201 -3.326 10.957 -3.930 1.00 0.00 H new ATOM 0 HA ASP A 201 -0.610 11.860 -4.417 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -2.118 10.787 -1.992 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -0.470 11.380 -1.913 1.00 0.00 H new ATOM 461 N LEU A 202 -1.122 8.656 -3.997 1.00 0.00 N ATOM 462 CA LEU A 202 -0.444 7.327 -4.106 1.00 0.00 C ATOM 463 C LEU A 202 0.135 7.114 -5.514 1.00 0.00 C ATOM 464 O LEU A 202 1.183 6.516 -5.666 1.00 0.00 O ATOM 465 CB LEU A 202 -1.454 6.213 -3.787 1.00 0.00 C ATOM 466 CG LEU A 202 -1.828 6.250 -2.290 1.00 0.00 C ATOM 467 CD1 LEU A 202 -2.922 5.209 -2.008 1.00 0.00 C ATOM 468 CD2 LEU A 202 -0.594 5.937 -1.417 1.00 0.00 C ATOM 0 H LEU A 202 -2.134 8.613 -3.878 1.00 0.00 H new ATOM 0 HA LEU A 202 0.380 7.299 -3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 202 -2.349 6.337 -4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 202 -1.028 5.242 -4.040 1.00 0.00 H new ATOM 0 HG LEU A 202 -2.192 7.248 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 202 -3.186 5.236 -0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 202 -3.803 5.436 -2.608 1.00 0.00 H new ATOM 0 HD13 LEU A 202 -2.554 4.216 -2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 202 -0.876 5.967 -0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 202 -0.216 4.945 -1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.183 6.678 -1.606 1.00 0.00 H new ATOM 480 N VAL A 203 -0.516 7.584 -6.551 1.00 0.00 N ATOM 481 CA VAL A 203 0.056 7.374 -7.915 1.00 0.00 C ATOM 482 C VAL A 203 1.354 8.158 -8.047 1.00 0.00 C ATOM 483 O VAL A 203 2.309 7.693 -8.638 1.00 0.00 O ATOM 484 CB VAL A 203 -0.920 7.809 -9.018 1.00 0.00 C ATOM 485 CG1 VAL A 203 -2.029 6.769 -9.181 1.00 0.00 C ATOM 486 CG2 VAL A 203 -1.547 9.144 -8.652 1.00 0.00 C ATOM 0 H VAL A 203 -1.399 8.093 -6.514 1.00 0.00 H new ATOM 0 HA VAL A 203 0.244 6.307 -8.038 1.00 0.00 H new ATOM 0 HB VAL A 203 -0.369 7.902 -9.954 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -2.715 7.088 -9.966 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -1.590 5.809 -9.451 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -2.574 6.668 -8.242 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -2.239 9.449 -9.437 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -2.087 9.046 -7.710 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -0.765 9.896 -8.545 1.00 0.00 H new ATOM 496 N ASP A 204 1.420 9.336 -7.493 1.00 0.00 N ATOM 497 CA ASP A 204 2.687 10.103 -7.610 1.00 0.00 C ATOM 498 C ASP A 204 3.807 9.260 -7.003 1.00 0.00 C ATOM 499 O ASP A 204 4.881 9.145 -7.559 1.00 0.00 O ATOM 500 CB ASP A 204 2.557 11.435 -6.865 1.00 0.00 C ATOM 501 CG ASP A 204 3.768 12.319 -7.171 1.00 0.00 C ATOM 502 OD1 ASP A 204 4.646 11.863 -7.881 1.00 0.00 O ATOM 503 OD2 ASP A 204 3.795 13.438 -6.690 1.00 0.00 O ATOM 0 H ASP A 204 0.669 9.792 -6.975 1.00 0.00 H new ATOM 0 HA ASP A 204 2.909 10.319 -8.655 1.00 0.00 H new ATOM 0 HB2 ASP A 204 1.640 11.942 -7.165 1.00 0.00 H new ATOM 0 HB3 ASP A 204 2.487 11.257 -5.792 1.00 0.00 H new ATOM 508 N ILE A 205 3.556 8.647 -5.882 1.00 0.00 N ATOM 509 CA ILE A 205 4.597 7.786 -5.255 1.00 0.00 C ATOM 510 C ILE A 205 4.829 6.564 -6.159 1.00 0.00 C ATOM 511 O ILE A 205 5.929 6.056 -6.262 1.00 0.00 O ATOM 512 CB ILE A 205 4.111 7.334 -3.876 1.00 0.00 C ATOM 513 CG1 ILE A 205 3.750 8.572 -3.049 1.00 0.00 C ATOM 514 CG2 ILE A 205 5.226 6.568 -3.160 1.00 0.00 C ATOM 515 CD1 ILE A 205 3.355 8.170 -1.624 1.00 0.00 C ATOM 0 H ILE A 205 2.675 8.704 -5.372 1.00 0.00 H new ATOM 0 HA ILE A 205 5.530 8.338 -5.139 1.00 0.00 H new ATOM 0 HB ILE A 205 3.241 6.687 -3.990 1.00 0.00 H new ATOM 0 HG12 ILE A 205 4.598 9.256 -3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 205 2.927 9.106 -3.524 1.00 0.00 H new ATOM 0 HG21 ILE A 205 4.876 6.248 -2.179 1.00 0.00 H new ATOM 0 HG22 ILE A 205 5.503 5.694 -3.749 1.00 0.00 H new ATOM 0 HG23 ILE A 205 6.095 7.216 -3.042 1.00 0.00 H new ATOM 0 HD11 ILE A 205 3.102 9.062 -1.051 1.00 0.00 H new ATOM 0 HD12 ILE A 205 2.492 7.505 -1.660 1.00 0.00 H new ATOM 0 HD13 ILE A 205 4.190 7.657 -1.146 1.00 0.00 H new ATOM 527 N THR A 206 3.789 6.088 -6.809 1.00 0.00 N ATOM 528 CA THR A 206 3.916 4.895 -7.707 1.00 0.00 C ATOM 529 C THR A 206 3.218 5.170 -9.040 1.00 0.00 C ATOM 530 O THR A 206 2.025 5.355 -9.108 1.00 0.00 O ATOM 531 CB THR A 206 3.244 3.698 -7.037 1.00 0.00 C ATOM 532 OG1 THR A 206 1.878 4.005 -6.796 1.00 0.00 O ATOM 533 CG2 THR A 206 3.951 3.390 -5.721 1.00 0.00 C ATOM 0 H THR A 206 2.849 6.481 -6.754 1.00 0.00 H new ATOM 0 HA THR A 206 4.971 4.688 -7.886 1.00 0.00 H new ATOM 0 HB THR A 206 3.308 2.825 -7.687 1.00 0.00 H new ATOM 0 HG1 THR A 206 1.543 4.588 -7.509 1.00 0.00 H new ATOM 0 HG21 THR A 206 3.472 2.536 -5.242 1.00 0.00 H new ATOM 0 HG22 THR A 206 4.998 3.157 -5.916 1.00 0.00 H new ATOM 0 HG23 THR A 206 3.889 4.257 -5.063 1.00 0.00 H new ATOM 541 N LYS A 207 3.958 5.181 -10.103 1.00 0.00 N ATOM 542 CA LYS A 207 3.351 5.436 -11.442 1.00 0.00 C ATOM 543 C LYS A 207 2.663 4.170 -11.951 1.00 0.00 C ATOM 544 O LYS A 207 2.396 4.033 -13.127 1.00 0.00 O ATOM 545 CB LYS A 207 4.437 5.854 -12.437 1.00 0.00 C ATOM 546 CG LYS A 207 4.977 7.234 -12.059 1.00 0.00 C ATOM 547 CD LYS A 207 5.975 7.705 -13.121 1.00 0.00 C ATOM 548 CE LYS A 207 6.475 9.104 -12.760 1.00 0.00 C ATOM 549 NZ LYS A 207 5.334 10.059 -12.783 1.00 0.00 N ATOM 0 H LYS A 207 4.966 5.024 -10.109 1.00 0.00 H new ATOM 0 HA LYS A 207 2.617 6.236 -11.348 1.00 0.00 H new ATOM 0 HB2 LYS A 207 5.246 5.123 -12.436 1.00 0.00 H new ATOM 0 HB3 LYS A 207 4.029 5.876 -13.448 1.00 0.00 H new ATOM 0 HG2 LYS A 207 4.156 7.946 -11.976 1.00 0.00 H new ATOM 0 HG3 LYS A 207 5.462 7.191 -11.084 1.00 0.00 H new ATOM 0 HD2 LYS A 207 6.813 7.011 -13.182 1.00 0.00 H new ATOM 0 HD3 LYS A 207 5.500 7.718 -14.102 1.00 0.00 H new ATOM 0 HE2 LYS A 207 6.935 9.094 -11.772 1.00 0.00 H new ATOM 0 HE3 LYS A 207 7.243 9.421 -13.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 5.618 10.927 -13.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 4.528 9.625 -13.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 5.058 10.294 -11.808 1.00 0.00 H new ATOM 563 N GLN A 208 2.383 3.236 -11.083 1.00 0.00 N ATOM 564 CA GLN A 208 1.723 1.980 -11.535 1.00 0.00 C ATOM 565 C GLN A 208 0.202 2.222 -11.670 1.00 0.00 C ATOM 566 O GLN A 208 -0.362 3.014 -10.939 1.00 0.00 O ATOM 567 CB GLN A 208 1.990 0.881 -10.494 1.00 0.00 C ATOM 568 CG GLN A 208 3.485 0.500 -10.497 1.00 0.00 C ATOM 569 CD GLN A 208 4.294 1.509 -9.674 1.00 0.00 C ATOM 570 OE1 GLN A 208 4.482 2.636 -10.085 1.00 0.00 O ATOM 571 NE2 GLN A 208 4.794 1.149 -8.521 1.00 0.00 N ATOM 0 H GLN A 208 2.582 3.289 -10.084 1.00 0.00 H new ATOM 0 HA GLN A 208 2.120 1.671 -12.502 1.00 0.00 H new ATOM 0 HB2 GLN A 208 1.697 1.229 -9.503 1.00 0.00 H new ATOM 0 HB3 GLN A 208 1.383 0.004 -10.716 1.00 0.00 H new ATOM 0 HG2 GLN A 208 3.613 -0.501 -10.085 1.00 0.00 H new ATOM 0 HG3 GLN A 208 3.858 0.473 -11.521 1.00 0.00 H new ATOM 0 HE21 GLN A 208 4.639 0.204 -8.171 1.00 0.00 H new ATOM 0 HE22 GLN A 208 5.339 1.814 -7.972 1.00 0.00 H new ATOM 580 N PRO A 209 -0.459 1.563 -12.608 1.00 0.00 N ATOM 581 CA PRO A 209 -1.931 1.737 -12.833 1.00 0.00 C ATOM 582 C PRO A 209 -2.739 1.800 -11.531 1.00 0.00 C ATOM 583 O PRO A 209 -2.592 0.966 -10.661 1.00 0.00 O ATOM 584 CB PRO A 209 -2.323 0.493 -13.643 1.00 0.00 C ATOM 585 CG PRO A 209 -1.081 0.086 -14.380 1.00 0.00 C ATOM 586 CD PRO A 209 0.116 0.580 -13.552 1.00 0.00 C ATOM 0 HA PRO A 209 -2.144 2.681 -13.336 1.00 0.00 H new ATOM 0 HB2 PRO A 209 -2.671 -0.307 -12.990 1.00 0.00 H new ATOM 0 HB3 PRO A 209 -3.135 0.715 -14.335 1.00 0.00 H new ATOM 0 HG2 PRO A 209 -1.044 -0.996 -14.504 1.00 0.00 H new ATOM 0 HG3 PRO A 209 -1.065 0.522 -15.379 1.00 0.00 H new ATOM 0 HD2 PRO A 209 0.597 -0.242 -13.023 1.00 0.00 H new ATOM 0 HD3 PRO A 209 0.874 1.038 -14.187 1.00 0.00 H new ATOM 594 N VAL A 210 -3.610 2.769 -11.404 1.00 0.00 N ATOM 595 CA VAL A 210 -4.440 2.872 -10.171 1.00 0.00 C ATOM 596 C VAL A 210 -5.182 1.565 -9.954 1.00 0.00 C ATOM 597 O VAL A 210 -5.263 1.059 -8.851 1.00 0.00 O ATOM 598 CB VAL A 210 -5.455 4.005 -10.308 1.00 0.00 C ATOM 599 CG1 VAL A 210 -4.726 5.347 -10.390 1.00 0.00 C ATOM 600 CG2 VAL A 210 -6.302 3.791 -11.569 1.00 0.00 C ATOM 0 H VAL A 210 -3.780 3.492 -12.103 1.00 0.00 H new ATOM 0 HA VAL A 210 -3.787 3.078 -9.323 1.00 0.00 H new ATOM 0 HB VAL A 210 -6.109 4.009 -9.436 1.00 0.00 H new ATOM 0 HG11 VAL A 210 -5.455 6.152 -10.488 1.00 0.00 H new ATOM 0 HG12 VAL A 210 -4.138 5.498 -9.485 1.00 0.00 H new ATOM 0 HG13 VAL A 210 -4.065 5.349 -11.256 1.00 0.00 H new ATOM 0 HG21 VAL A 210 -7.025 4.601 -11.663 1.00 0.00 H new ATOM 0 HG22 VAL A 210 -5.654 3.779 -12.445 1.00 0.00 H new ATOM 0 HG23 VAL A 210 -6.830 2.840 -11.496 1.00 0.00 H new ATOM 610 N VAL A 211 -5.732 1.006 -10.996 1.00 0.00 N ATOM 611 CA VAL A 211 -6.466 -0.268 -10.832 1.00 0.00 C ATOM 612 C VAL A 211 -5.566 -1.250 -10.092 1.00 0.00 C ATOM 613 O VAL A 211 -6.031 -2.118 -9.385 1.00 0.00 O ATOM 614 CB VAL A 211 -6.848 -0.824 -12.206 1.00 0.00 C ATOM 615 CG1 VAL A 211 -7.886 0.091 -12.862 1.00 0.00 C ATOM 616 CG2 VAL A 211 -5.604 -0.894 -13.093 1.00 0.00 C ATOM 0 H VAL A 211 -5.703 1.377 -11.946 1.00 0.00 H new ATOM 0 HA VAL A 211 -7.380 -0.108 -10.261 1.00 0.00 H new ATOM 0 HB VAL A 211 -7.268 -1.822 -12.085 1.00 0.00 H new ATOM 0 HG11 VAL A 211 -8.156 -0.307 -13.840 1.00 0.00 H new ATOM 0 HG12 VAL A 211 -8.775 0.142 -12.233 1.00 0.00 H new ATOM 0 HG13 VAL A 211 -7.467 1.090 -12.980 1.00 0.00 H new ATOM 0 HG21 VAL A 211 -5.876 -1.290 -14.071 1.00 0.00 H new ATOM 0 HG22 VAL A 211 -5.184 0.105 -13.210 1.00 0.00 H new ATOM 0 HG23 VAL A 211 -4.864 -1.547 -12.631 1.00 0.00 H new ATOM 626 N TYR A 212 -4.276 -1.100 -10.216 1.00 0.00 N ATOM 627 CA TYR A 212 -3.368 -2.012 -9.477 1.00 0.00 C ATOM 628 C TYR A 212 -3.353 -1.591 -8.002 1.00 0.00 C ATOM 629 O TYR A 212 -3.550 -2.395 -7.115 1.00 0.00 O ATOM 630 CB TYR A 212 -1.956 -1.936 -10.062 1.00 0.00 C ATOM 631 CG TYR A 212 -1.113 -3.043 -9.476 1.00 0.00 C ATOM 632 CD1 TYR A 212 -1.300 -4.364 -9.904 1.00 0.00 C ATOM 633 CD2 TYR A 212 -0.146 -2.750 -8.509 1.00 0.00 C ATOM 634 CE1 TYR A 212 -0.517 -5.394 -9.367 1.00 0.00 C ATOM 635 CE2 TYR A 212 0.637 -3.779 -7.971 1.00 0.00 C ATOM 636 CZ TYR A 212 0.451 -5.099 -8.400 1.00 0.00 C ATOM 637 OH TYR A 212 1.225 -6.109 -7.874 1.00 0.00 O ATOM 0 H TYR A 212 -3.818 -0.393 -10.791 1.00 0.00 H new ATOM 0 HA TYR A 212 -3.719 -3.040 -9.566 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -1.994 -2.028 -11.147 1.00 0.00 H new ATOM 0 HB3 TYR A 212 -1.510 -0.967 -9.840 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -2.049 -4.588 -10.649 1.00 0.00 H new ATOM 0 HD2 TYR A 212 -0.003 -1.732 -8.178 1.00 0.00 H new ATOM 0 HE1 TYR A 212 -0.660 -6.412 -9.698 1.00 0.00 H new ATOM 0 HE2 TYR A 212 1.385 -3.554 -7.225 1.00 0.00 H new ATOM 0 HH TYR A 212 1.822 -6.458 -8.568 1.00 0.00 H new ATOM 647 N LEU A 213 -3.137 -0.324 -7.738 1.00 0.00 N ATOM 648 CA LEU A 213 -3.127 0.163 -6.321 1.00 0.00 C ATOM 649 C LEU A 213 -4.502 -0.072 -5.689 1.00 0.00 C ATOM 650 O LEU A 213 -4.614 -0.509 -4.560 1.00 0.00 O ATOM 651 CB LEU A 213 -2.848 1.679 -6.285 1.00 0.00 C ATOM 652 CG LEU A 213 -1.363 2.001 -6.542 1.00 0.00 C ATOM 653 CD1 LEU A 213 -0.456 1.304 -5.510 1.00 0.00 C ATOM 654 CD2 LEU A 213 -0.966 1.575 -7.964 1.00 0.00 C ATOM 0 H LEU A 213 -2.967 0.394 -8.442 1.00 0.00 H new ATOM 0 HA LEU A 213 -2.353 -0.377 -5.776 1.00 0.00 H new ATOM 0 HB2 LEU A 213 -3.462 2.178 -7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 213 -3.143 2.079 -5.315 1.00 0.00 H new ATOM 0 HG LEU A 213 -1.229 3.078 -6.440 1.00 0.00 H new ATOM 0 HD11 LEU A 213 0.586 1.550 -5.717 1.00 0.00 H new ATOM 0 HD12 LEU A 213 -0.717 1.644 -4.508 1.00 0.00 H new ATOM 0 HD13 LEU A 213 -0.594 0.225 -5.575 1.00 0.00 H new ATOM 0 HD21 LEU A 213 0.085 1.808 -8.133 1.00 0.00 H new ATOM 0 HD22 LEU A 213 -1.124 0.503 -8.080 1.00 0.00 H new ATOM 0 HD23 LEU A 213 -1.578 2.112 -8.689 1.00 0.00 H new ATOM 666 N LYS A 214 -5.549 0.239 -6.400 1.00 0.00 N ATOM 667 CA LYS A 214 -6.910 0.061 -5.825 1.00 0.00 C ATOM 668 C LYS A 214 -7.118 -1.391 -5.409 1.00 0.00 C ATOM 669 O LYS A 214 -7.691 -1.672 -4.378 1.00 0.00 O ATOM 670 CB LYS A 214 -7.954 0.433 -6.873 1.00 0.00 C ATOM 671 CG LYS A 214 -7.923 1.948 -7.129 1.00 0.00 C ATOM 672 CD LYS A 214 -9.219 2.376 -7.827 1.00 0.00 C ATOM 673 CE LYS A 214 -9.289 1.761 -9.228 1.00 0.00 C ATOM 674 NZ LYS A 214 -10.496 2.274 -9.932 1.00 0.00 N ATOM 0 H LYS A 214 -5.521 0.607 -7.351 1.00 0.00 H new ATOM 0 HA LYS A 214 -7.012 0.704 -4.951 1.00 0.00 H new ATOM 0 HB2 LYS A 214 -7.758 -0.105 -7.800 1.00 0.00 H new ATOM 0 HB3 LYS A 214 -8.945 0.133 -6.533 1.00 0.00 H new ATOM 0 HG2 LYS A 214 -7.811 2.484 -6.187 1.00 0.00 H new ATOM 0 HG3 LYS A 214 -7.063 2.206 -7.747 1.00 0.00 H new ATOM 0 HD2 LYS A 214 -10.080 2.059 -7.239 1.00 0.00 H new ATOM 0 HD3 LYS A 214 -9.263 3.463 -7.896 1.00 0.00 H new ATOM 0 HE2 LYS A 214 -8.391 2.011 -9.793 1.00 0.00 H new ATOM 0 HE3 LYS A 214 -9.329 0.674 -9.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 214 -10.546 1.858 -10.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 214 -11.348 2.014 -9.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 214 -10.439 3.310 -10.010 1.00 0.00 H new ATOM 688 N GLU A 215 -6.647 -2.321 -6.187 1.00 0.00 N ATOM 689 CA GLU A 215 -6.831 -3.744 -5.805 1.00 0.00 C ATOM 690 C GLU A 215 -6.050 -4.025 -4.525 1.00 0.00 C ATOM 691 O GLU A 215 -6.528 -4.693 -3.630 1.00 0.00 O ATOM 692 CB GLU A 215 -6.332 -4.642 -6.931 1.00 0.00 C ATOM 693 CG GLU A 215 -7.315 -4.578 -8.096 1.00 0.00 C ATOM 694 CD GLU A 215 -6.687 -5.247 -9.315 1.00 0.00 C ATOM 695 OE1 GLU A 215 -5.679 -4.745 -9.785 1.00 0.00 O ATOM 696 OE2 GLU A 215 -7.221 -6.251 -9.753 1.00 0.00 O ATOM 0 H GLU A 215 -6.148 -2.160 -7.062 1.00 0.00 H new ATOM 0 HA GLU A 215 -7.888 -3.947 -5.633 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -5.342 -4.322 -7.257 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -6.234 -5.669 -6.578 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -8.246 -5.078 -7.830 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -7.563 -3.541 -8.322 1.00 0.00 H new ATOM 703 N ILE A 216 -4.860 -3.510 -4.421 1.00 0.00 N ATOM 704 CA ILE A 216 -4.060 -3.738 -3.189 1.00 0.00 C ATOM 705 C ILE A 216 -4.718 -3.000 -2.027 1.00 0.00 C ATOM 706 O ILE A 216 -4.838 -3.517 -0.935 1.00 0.00 O ATOM 707 CB ILE A 216 -2.641 -3.204 -3.410 1.00 0.00 C ATOM 708 CG1 ILE A 216 -1.938 -4.083 -4.447 1.00 0.00 C ATOM 709 CG2 ILE A 216 -1.858 -3.222 -2.092 1.00 0.00 C ATOM 710 CD1 ILE A 216 -0.626 -3.430 -4.883 1.00 0.00 C ATOM 0 H ILE A 216 -4.406 -2.941 -5.136 1.00 0.00 H new ATOM 0 HA ILE A 216 -4.013 -4.803 -2.961 1.00 0.00 H new ATOM 0 HB ILE A 216 -2.689 -2.176 -3.769 1.00 0.00 H new ATOM 0 HG12 ILE A 216 -1.741 -5.069 -4.026 1.00 0.00 H new ATOM 0 HG13 ILE A 216 -2.586 -4.229 -5.311 1.00 0.00 H new ATOM 0 HG21 ILE A 216 -0.851 -2.840 -2.262 1.00 0.00 H new ATOM 0 HG22 ILE A 216 -2.365 -2.595 -1.359 1.00 0.00 H new ATOM 0 HG23 ILE A 216 -1.800 -4.244 -1.717 1.00 0.00 H new ATOM 0 HD11 ILE A 216 -0.132 -4.062 -5.621 1.00 0.00 H new ATOM 0 HD12 ILE A 216 -0.834 -2.454 -5.322 1.00 0.00 H new ATOM 0 HD13 ILE A 216 0.025 -3.307 -4.017 1.00 0.00 H new ATOM 722 N LEU A 217 -5.149 -1.799 -2.262 1.00 0.00 N ATOM 723 CA LEU A 217 -5.808 -1.017 -1.185 1.00 0.00 C ATOM 724 C LEU A 217 -7.182 -1.633 -0.875 1.00 0.00 C ATOM 725 O LEU A 217 -7.637 -1.640 0.246 1.00 0.00 O ATOM 726 CB LEU A 217 -5.977 0.423 -1.664 1.00 0.00 C ATOM 727 CG LEU A 217 -4.599 1.095 -1.839 1.00 0.00 C ATOM 728 CD1 LEU A 217 -4.771 2.423 -2.594 1.00 0.00 C ATOM 729 CD2 LEU A 217 -3.959 1.370 -0.464 1.00 0.00 C ATOM 0 H LEU A 217 -5.073 -1.320 -3.160 1.00 0.00 H new ATOM 0 HA LEU A 217 -5.202 -1.034 -0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.519 0.438 -2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -6.574 0.985 -0.946 1.00 0.00 H new ATOM 0 HG LEU A 217 -3.950 0.427 -2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -3.799 2.899 -2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -5.209 2.231 -3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -5.428 3.082 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -2.987 1.844 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -4.606 2.031 0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -3.830 0.430 0.072 1.00 0.00 H new ATOM 741 N LYS A 218 -7.851 -2.150 -1.859 1.00 0.00 N ATOM 742 CA LYS A 218 -9.185 -2.758 -1.605 1.00 0.00 C ATOM 743 C LYS A 218 -9.037 -3.934 -0.629 1.00 0.00 C ATOM 744 O LYS A 218 -9.914 -4.193 0.171 1.00 0.00 O ATOM 745 CB LYS A 218 -9.776 -3.255 -2.930 1.00 0.00 C ATOM 746 CG LYS A 218 -11.219 -3.763 -2.733 1.00 0.00 C ATOM 747 CD LYS A 218 -12.206 -2.587 -2.728 1.00 0.00 C ATOM 748 CE LYS A 218 -13.639 -3.126 -2.685 1.00 0.00 C ATOM 749 NZ LYS A 218 -13.925 -3.894 -3.931 1.00 0.00 N ATOM 0 H LYS A 218 -7.535 -2.180 -2.828 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.850 -2.013 -1.168 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -9.767 -2.448 -3.662 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -9.156 -4.056 -3.332 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -11.478 -4.460 -3.530 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -11.293 -4.312 -1.794 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -12.021 -1.946 -1.866 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -12.063 -1.974 -3.618 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -13.771 -3.767 -1.813 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -14.345 -2.302 -2.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -14.953 -3.938 -4.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -13.475 -3.422 -4.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -13.547 -4.859 -3.839 1.00 0.00 H new ATOM 763 N GLU A 219 -7.952 -4.668 -0.700 1.00 0.00 N ATOM 764 CA GLU A 219 -7.802 -5.840 0.222 1.00 0.00 C ATOM 765 C GLU A 219 -7.400 -5.385 1.632 1.00 0.00 C ATOM 766 O GLU A 219 -8.045 -5.736 2.600 1.00 0.00 O ATOM 767 CB GLU A 219 -6.726 -6.801 -0.303 1.00 0.00 C ATOM 768 CG GLU A 219 -7.192 -7.478 -1.599 1.00 0.00 C ATOM 769 CD GLU A 219 -8.422 -8.342 -1.314 1.00 0.00 C ATOM 770 OE1 GLU A 219 -8.613 -8.703 -0.164 1.00 0.00 O ATOM 771 OE2 GLU A 219 -9.156 -8.620 -2.248 1.00 0.00 O ATOM 0 H GLU A 219 -7.176 -4.511 -1.344 1.00 0.00 H new ATOM 0 HA GLU A 219 -8.767 -6.346 0.265 1.00 0.00 H new ATOM 0 HB2 GLU A 219 -5.800 -6.255 -0.484 1.00 0.00 H new ATOM 0 HB3 GLU A 219 -6.508 -7.558 0.451 1.00 0.00 H new ATOM 0 HG2 GLU A 219 -7.431 -6.724 -2.349 1.00 0.00 H new ATOM 0 HG3 GLU A 219 -6.390 -8.093 -2.008 1.00 0.00 H new ATOM 778 N ILE A 220 -6.330 -4.634 1.763 1.00 0.00 N ATOM 779 CA ILE A 220 -5.878 -4.184 3.123 1.00 0.00 C ATOM 780 C ILE A 220 -6.153 -2.688 3.318 1.00 0.00 C ATOM 781 O ILE A 220 -6.032 -2.172 4.409 1.00 0.00 O ATOM 782 CB ILE A 220 -4.367 -4.449 3.267 1.00 0.00 C ATOM 783 CG1 ILE A 220 -3.579 -3.660 2.197 1.00 0.00 C ATOM 784 CG2 ILE A 220 -4.098 -5.950 3.092 1.00 0.00 C ATOM 785 CD1 ILE A 220 -2.103 -3.555 2.597 1.00 0.00 C ATOM 0 H ILE A 220 -5.750 -4.313 0.988 1.00 0.00 H new ATOM 0 HA ILE A 220 -6.431 -4.741 3.880 1.00 0.00 H new ATOM 0 HB ILE A 220 -4.042 -4.124 4.256 1.00 0.00 H new ATOM 0 HG12 ILE A 220 -3.667 -4.156 1.231 1.00 0.00 H new ATOM 0 HG13 ILE A 220 -4.004 -2.663 2.083 1.00 0.00 H new ATOM 0 HG21 ILE A 220 -3.030 -6.142 3.193 1.00 0.00 H new ATOM 0 HG22 ILE A 220 -4.641 -6.508 3.855 1.00 0.00 H new ATOM 0 HG23 ILE A 220 -4.432 -6.267 2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 220 -1.558 -2.997 1.835 1.00 0.00 H new ATOM 0 HD12 ILE A 220 -2.021 -3.038 3.553 1.00 0.00 H new ATOM 0 HD13 ILE A 220 -1.678 -4.555 2.687 1.00 0.00 H new ATOM 797 N GLY A 221 -6.487 -1.976 2.271 1.00 0.00 N ATOM 798 CA GLY A 221 -6.721 -0.501 2.416 1.00 0.00 C ATOM 799 C GLY A 221 -8.160 -0.208 2.864 1.00 0.00 C ATOM 800 O GLY A 221 -8.944 -1.102 3.109 1.00 0.00 O ATOM 0 H GLY A 221 -6.608 -2.346 1.328 1.00 0.00 H new ATOM 0 HA2 GLY A 221 -6.020 -0.089 3.142 1.00 0.00 H new ATOM 0 HA3 GLY A 221 -6.525 -0.004 1.466 1.00 0.00 H new ATOM 804 N VAL A 222 -8.494 1.057 2.972 1.00 0.00 N ATOM 805 CA VAL A 222 -9.869 1.468 3.408 1.00 0.00 C ATOM 806 C VAL A 222 -10.235 2.768 2.673 1.00 0.00 C ATOM 807 O VAL A 222 -9.433 3.305 1.954 1.00 0.00 O ATOM 808 CB VAL A 222 -9.858 1.722 4.926 1.00 0.00 C ATOM 809 CG1 VAL A 222 -11.278 2.009 5.434 1.00 0.00 C ATOM 810 CG2 VAL A 222 -9.284 0.497 5.645 1.00 0.00 C ATOM 0 H VAL A 222 -7.863 1.833 2.774 1.00 0.00 H new ATOM 0 HA VAL A 222 -10.595 0.688 3.178 1.00 0.00 H new ATOM 0 HB VAL A 222 -9.235 2.592 5.134 1.00 0.00 H new ATOM 0 HG11 VAL A 222 -11.251 2.186 6.509 1.00 0.00 H new ATOM 0 HG12 VAL A 222 -11.673 2.891 4.931 1.00 0.00 H new ATOM 0 HG13 VAL A 222 -11.920 1.153 5.223 1.00 0.00 H new ATOM 0 HG21 VAL A 222 -9.276 0.677 6.720 1.00 0.00 H new ATOM 0 HG22 VAL A 222 -9.901 -0.375 5.427 1.00 0.00 H new ATOM 0 HG23 VAL A 222 -8.266 0.316 5.300 1.00 0.00 H new ATOM 820 N GLN A 223 -11.430 3.280 2.849 1.00 0.00 N ATOM 821 CA GLN A 223 -11.831 4.553 2.146 1.00 0.00 C ATOM 822 C GLN A 223 -12.627 5.440 3.107 1.00 0.00 C ATOM 823 O GLN A 223 -13.253 4.965 4.032 1.00 0.00 O ATOM 824 CB GLN A 223 -12.695 4.214 0.921 1.00 0.00 C ATOM 825 CG GLN A 223 -13.190 5.503 0.240 1.00 0.00 C ATOM 826 CD GLN A 223 -12.015 6.437 -0.072 1.00 0.00 C ATOM 827 OE1 GLN A 223 -11.119 6.089 -0.818 1.00 0.00 O ATOM 828 NE2 GLN A 223 -11.988 7.624 0.474 1.00 0.00 N ATOM 0 H GLN A 223 -12.149 2.875 3.448 1.00 0.00 H new ATOM 0 HA GLN A 223 -10.937 5.085 1.821 1.00 0.00 H new ATOM 0 HB2 GLN A 223 -12.117 3.620 0.213 1.00 0.00 H new ATOM 0 HB3 GLN A 223 -13.547 3.606 1.226 1.00 0.00 H new ATOM 0 HG2 GLN A 223 -13.718 5.254 -0.681 1.00 0.00 H new ATOM 0 HG3 GLN A 223 -13.903 6.012 0.888 1.00 0.00 H new ATOM 0 HE21 GLN A 223 -12.740 7.915 1.099 1.00 0.00 H new ATOM 0 HE22 GLN A 223 -11.215 8.260 0.275 1.00 0.00 H new ATOM 837 N ASN A 224 -12.594 6.732 2.909 1.00 0.00 N ATOM 838 CA ASN A 224 -13.330 7.645 3.822 1.00 0.00 C ATOM 839 C ASN A 224 -13.717 8.911 3.057 1.00 0.00 C ATOM 840 O ASN A 224 -12.901 9.515 2.388 1.00 0.00 O ATOM 841 CB ASN A 224 -12.407 8.036 4.986 1.00 0.00 C ATOM 842 CG ASN A 224 -11.549 6.838 5.381 1.00 0.00 C ATOM 843 OD1 ASN A 224 -11.896 6.087 6.271 1.00 0.00 O ATOM 844 ND2 ASN A 224 -10.428 6.634 4.745 1.00 0.00 N ATOM 0 H ASN A 224 -12.087 7.191 2.152 1.00 0.00 H new ATOM 0 HA ASN A 224 -14.224 7.149 4.200 1.00 0.00 H new ATOM 0 HB2 ASN A 224 -11.771 8.872 4.694 1.00 0.00 H new ATOM 0 HB3 ASN A 224 -13.000 8.369 5.838 1.00 0.00 H new ATOM 0 HD21 ASN A 224 -9.837 5.840 4.994 1.00 0.00 H new ATOM 0 HD22 ASN A 224 -10.142 7.268 3.999 1.00 0.00 H new ATOM 851 N VAL A 225 -14.947 9.332 3.177 1.00 0.00 N ATOM 852 CA VAL A 225 -15.399 10.584 2.492 1.00 0.00 C ATOM 853 C VAL A 225 -15.557 11.655 3.566 1.00 0.00 C ATOM 854 O VAL A 225 -16.222 11.459 4.564 1.00 0.00 O ATOM 855 CB VAL A 225 -16.734 10.347 1.780 1.00 0.00 C ATOM 856 CG1 VAL A 225 -16.524 9.385 0.608 1.00 0.00 C ATOM 857 CG2 VAL A 225 -17.740 9.742 2.760 1.00 0.00 C ATOM 0 H VAL A 225 -15.667 8.860 3.725 1.00 0.00 H new ATOM 0 HA VAL A 225 -14.673 10.895 1.741 1.00 0.00 H new ATOM 0 HB VAL A 225 -17.118 11.297 1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -17.474 9.216 0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -15.810 9.817 -0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -16.138 8.436 0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -18.689 9.575 2.250 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -17.357 8.793 3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -17.892 10.427 3.594 1.00 0.00 H new ATOM 867 N LYS A 226 -14.920 12.771 3.396 1.00 0.00 N ATOM 868 CA LYS A 226 -14.996 13.844 4.425 1.00 0.00 C ATOM 869 C LYS A 226 -16.146 14.794 4.102 1.00 0.00 C ATOM 870 O LYS A 226 -16.971 14.523 3.252 1.00 0.00 O ATOM 871 CB LYS A 226 -13.684 14.620 4.427 1.00 0.00 C ATOM 872 CG LYS A 226 -12.511 13.639 4.338 1.00 0.00 C ATOM 873 CD LYS A 226 -12.587 12.596 5.465 1.00 0.00 C ATOM 874 CE LYS A 226 -11.180 12.099 5.813 1.00 0.00 C ATOM 875 NZ LYS A 226 -11.274 11.050 6.866 1.00 0.00 N ATOM 0 H LYS A 226 -14.344 12.992 2.584 1.00 0.00 H new ATOM 0 HA LYS A 226 -15.168 13.398 5.404 1.00 0.00 H new ATOM 0 HB2 LYS A 226 -13.657 15.313 3.586 1.00 0.00 H new ATOM 0 HB3 LYS A 226 -13.604 15.218 5.335 1.00 0.00 H new ATOM 0 HG2 LYS A 226 -12.523 13.137 3.370 1.00 0.00 H new ATOM 0 HG3 LYS A 226 -11.569 14.184 4.403 1.00 0.00 H new ATOM 0 HD2 LYS A 226 -13.056 13.034 6.346 1.00 0.00 H new ATOM 0 HD3 LYS A 226 -13.212 11.758 5.155 1.00 0.00 H new ATOM 0 HE2 LYS A 226 -10.694 11.696 4.924 1.00 0.00 H new ATOM 0 HE3 LYS A 226 -10.565 12.928 6.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 226 -10.320 10.711 7.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 226 -11.721 11.450 7.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 226 -11.846 10.256 6.515 1.00 0.00 H new ATOM 889 N GLY A 227 -16.206 15.909 4.781 1.00 0.00 N ATOM 890 CA GLY A 227 -17.303 16.884 4.517 1.00 0.00 C ATOM 891 C GLY A 227 -17.459 17.077 3.006 1.00 0.00 C ATOM 892 O GLY A 227 -18.461 16.702 2.431 1.00 0.00 O ATOM 0 H GLY A 227 -15.544 16.186 5.506 1.00 0.00 H new ATOM 0 HA2 GLY A 227 -18.237 16.522 4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 227 -17.080 17.838 4.995 1.00 0.00 H new ATOM 896 N ILE A 228 -16.478 17.641 2.347 1.00 0.00 N ATOM 897 CA ILE A 228 -16.605 17.819 0.874 1.00 0.00 C ATOM 898 C ILE A 228 -16.421 16.457 0.217 1.00 0.00 C ATOM 899 O ILE A 228 -16.561 16.310 -0.977 1.00 0.00 O ATOM 900 CB ILE A 228 -15.580 18.831 0.349 1.00 0.00 C ATOM 901 CG1 ILE A 228 -14.140 18.332 0.551 1.00 0.00 C ATOM 902 CG2 ILE A 228 -15.768 20.147 1.105 1.00 0.00 C ATOM 903 CD1 ILE A 228 -13.167 19.358 -0.042 1.00 0.00 C ATOM 0 H ILE A 228 -15.609 17.980 2.760 1.00 0.00 H new ATOM 0 HA ILE A 228 -17.590 18.217 0.631 1.00 0.00 H new ATOM 0 HB ILE A 228 -15.740 18.968 -0.720 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -13.936 18.190 1.612 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -14.006 17.364 0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -15.046 20.880 0.744 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -16.778 20.521 0.939 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -15.613 19.980 2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -12.143 19.011 0.097 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -13.368 19.477 -1.107 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -13.297 20.316 0.461 1.00 0.00 H new ATOM 915 N HIS A 229 -16.128 15.466 1.023 1.00 0.00 N ATOM 916 CA HIS A 229 -15.945 14.066 0.532 1.00 0.00 C ATOM 917 C HIS A 229 -14.533 13.859 -0.020 1.00 0.00 C ATOM 918 O HIS A 229 -14.359 13.367 -1.118 1.00 0.00 O ATOM 919 CB HIS A 229 -16.962 13.738 -0.570 1.00 0.00 C ATOM 920 CG HIS A 229 -18.309 14.312 -0.217 1.00 0.00 C ATOM 921 ND1 HIS A 229 -19.041 13.875 0.877 1.00 0.00 N ATOM 922 CD2 HIS A 229 -19.070 15.286 -0.813 1.00 0.00 C ATOM 923 CE1 HIS A 229 -20.189 14.580 0.904 1.00 0.00 C ATOM 924 NE2 HIS A 229 -20.256 15.454 -0.103 1.00 0.00 N ATOM 0 H HIS A 229 -16.005 15.574 2.030 1.00 0.00 H new ATOM 0 HA HIS A 229 -16.101 13.401 1.381 1.00 0.00 H new ATOM 0 HB2 HIS A 229 -16.622 14.145 -1.522 1.00 0.00 H new ATOM 0 HB3 HIS A 229 -17.039 12.658 -0.695 1.00 0.00 H new ATOM 0 HD2 HIS A 229 -18.791 15.838 -1.698 1.00 0.00 H new ATOM 0 HE1 HIS A 229 -20.961 14.454 1.649 1.00 0.00 H new ATOM 0 HE2 HIS A 229 -21.014 16.105 -0.308 1.00 0.00 H new ATOM 932 N LYS A 230 -13.524 14.199 0.730 1.00 0.00 N ATOM 933 CA LYS A 230 -12.141 13.980 0.230 1.00 0.00 C ATOM 934 C LYS A 230 -11.856 12.473 0.277 1.00 0.00 C ATOM 935 O LYS A 230 -12.108 11.815 1.268 1.00 0.00 O ATOM 936 CB LYS A 230 -11.132 14.723 1.118 1.00 0.00 C ATOM 937 CG LYS A 230 -11.531 16.201 1.257 1.00 0.00 C ATOM 938 CD LYS A 230 -10.546 16.922 2.205 1.00 0.00 C ATOM 939 CE LYS A 230 -11.239 18.098 2.900 1.00 0.00 C ATOM 940 NZ LYS A 230 -10.288 18.728 3.862 1.00 0.00 N ATOM 0 H LYS A 230 -13.596 14.615 1.659 1.00 0.00 H new ATOM 0 HA LYS A 230 -12.047 14.358 -0.788 1.00 0.00 H new ATOM 0 HB2 LYS A 230 -11.091 14.256 2.102 1.00 0.00 H new ATOM 0 HB3 LYS A 230 -10.134 14.648 0.687 1.00 0.00 H new ATOM 0 HG2 LYS A 230 -11.527 16.682 0.279 1.00 0.00 H new ATOM 0 HG3 LYS A 230 -12.546 16.278 1.646 1.00 0.00 H new ATOM 0 HD2 LYS A 230 -10.170 16.221 2.950 1.00 0.00 H new ATOM 0 HD3 LYS A 230 -9.685 17.281 1.641 1.00 0.00 H new ATOM 0 HE2 LYS A 230 -11.567 18.830 2.162 1.00 0.00 H new ATOM 0 HE3 LYS A 230 -12.130 17.753 3.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 230 -10.753 19.528 4.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 230 -9.996 18.026 4.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 230 -9.451 19.070 3.349 1.00 0.00 H new ATOM 954 N ASN A 231 -11.345 11.924 -0.790 1.00 0.00 N ATOM 955 CA ASN A 231 -11.051 10.461 -0.822 1.00 0.00 C ATOM 956 C ASN A 231 -9.754 10.178 -0.067 1.00 0.00 C ATOM 957 O ASN A 231 -8.707 10.651 -0.447 1.00 0.00 O ATOM 958 CB ASN A 231 -10.867 10.008 -2.278 1.00 0.00 C ATOM 959 CG ASN A 231 -11.896 10.692 -3.174 1.00 0.00 C ATOM 960 OD1 ASN A 231 -13.079 10.438 -3.066 1.00 0.00 O ATOM 961 ND2 ASN A 231 -11.487 11.562 -4.057 1.00 0.00 N ATOM 0 H ASN A 231 -11.117 12.428 -1.647 1.00 0.00 H new ATOM 0 HA ASN A 231 -11.879 9.925 -0.358 1.00 0.00 H new ATOM 0 HB2 ASN A 231 -9.860 10.249 -2.618 1.00 0.00 H new ATOM 0 HB3 ASN A 231 -10.976 8.926 -2.347 1.00 0.00 H new ATOM 0 HD21 ASN A 231 -12.162 12.032 -4.660 1.00 0.00 H new ATOM 0 HD22 ASN A 231 -10.493 11.772 -4.144 1.00 0.00 H new ATOM 968 N THR A 232 -9.803 9.396 0.979 1.00 0.00 N ATOM 969 CA THR A 232 -8.552 9.066 1.729 1.00 0.00 C ATOM 970 C THR A 232 -8.493 7.562 1.975 1.00 0.00 C ATOM 971 O THR A 232 -9.486 6.937 2.293 1.00 0.00 O ATOM 972 CB THR A 232 -8.548 9.806 3.060 1.00 0.00 C ATOM 973 OG1 THR A 232 -9.719 9.485 3.790 1.00 0.00 O ATOM 974 CG2 THR A 232 -8.490 11.307 2.808 1.00 0.00 C ATOM 0 H THR A 232 -10.654 8.971 1.347 1.00 0.00 H new ATOM 0 HA THR A 232 -7.683 9.371 1.146 1.00 0.00 H new ATOM 0 HB THR A 232 -7.675 9.505 3.639 1.00 0.00 H new ATOM 0 HG1 THR A 232 -9.578 9.685 4.739 1.00 0.00 H new ATOM 0 HG21 THR A 232 -8.487 11.836 3.761 1.00 0.00 H new ATOM 0 HG22 THR A 232 -7.582 11.548 2.256 1.00 0.00 H new ATOM 0 HG23 THR A 232 -9.360 11.612 2.226 1.00 0.00 H new ATOM 982 N TRP A 233 -7.326 6.977 1.811 1.00 0.00 N ATOM 983 CA TRP A 233 -7.162 5.503 2.016 1.00 0.00 C ATOM 984 C TRP A 233 -6.244 5.230 3.206 1.00 0.00 C ATOM 985 O TRP A 233 -5.320 5.975 3.474 1.00 0.00 O ATOM 986 CB TRP A 233 -6.568 4.865 0.755 1.00 0.00 C ATOM 987 CG TRP A 233 -7.602 4.824 -0.323 1.00 0.00 C ATOM 988 CD1 TRP A 233 -7.917 5.853 -1.140 1.00 0.00 C ATOM 989 CD2 TRP A 233 -8.456 3.709 -0.720 1.00 0.00 C ATOM 990 NE1 TRP A 233 -8.916 5.445 -2.006 1.00 0.00 N ATOM 991 CE2 TRP A 233 -9.278 4.132 -1.788 1.00 0.00 C ATOM 992 CE3 TRP A 233 -8.595 2.386 -0.260 1.00 0.00 C ATOM 993 CZ2 TRP A 233 -10.207 3.276 -2.377 1.00 0.00 C ATOM 994 CZ3 TRP A 233 -9.528 1.521 -0.851 1.00 0.00 C ATOM 995 CH2 TRP A 233 -10.332 1.965 -1.910 1.00 0.00 C ATOM 0 H TRP A 233 -6.473 7.466 1.541 1.00 0.00 H new ATOM 0 HA TRP A 233 -8.141 5.069 2.217 1.00 0.00 H new ATOM 0 HB2 TRP A 233 -5.702 5.436 0.420 1.00 0.00 H new ATOM 0 HB3 TRP A 233 -6.219 3.856 0.976 1.00 0.00 H new ATOM 0 HD1 TRP A 233 -7.464 6.833 -1.120 1.00 0.00 H new ATOM 0 HE1 TRP A 233 -9.334 6.043 -2.719 1.00 0.00 H new ATOM 0 HE3 TRP A 233 -7.979 2.034 0.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 233 -10.827 3.624 -3.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 233 -9.627 0.509 -0.488 1.00 0.00 H new ATOM 0 HH2 TRP A 233 -11.047 1.295 -2.364 1.00 0.00 H new ATOM 1006 N GLU A 234 -6.500 4.156 3.924 1.00 0.00 N ATOM 1007 CA GLU A 234 -5.648 3.805 5.114 1.00 0.00 C ATOM 1008 C GLU A 234 -5.295 2.310 5.082 1.00 0.00 C ATOM 1009 O GLU A 234 -6.147 1.479 4.855 1.00 0.00 O ATOM 1010 CB GLU A 234 -6.433 4.063 6.404 1.00 0.00 C ATOM 1011 CG GLU A 234 -6.739 5.550 6.565 1.00 0.00 C ATOM 1012 CD GLU A 234 -7.482 5.757 7.889 1.00 0.00 C ATOM 1013 OE1 GLU A 234 -8.695 5.652 7.887 1.00 0.00 O ATOM 1014 OE2 GLU A 234 -6.829 6.010 8.887 1.00 0.00 O ATOM 0 H GLU A 234 -7.264 3.506 3.737 1.00 0.00 H new ATOM 0 HA GLU A 234 -4.744 4.413 5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -7.363 3.495 6.388 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -5.859 3.711 7.261 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -5.816 6.129 6.555 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -7.346 5.903 5.732 1.00 0.00 H new ATOM 1021 N LEU A 235 -4.058 1.954 5.347 1.00 0.00 N ATOM 1022 CA LEU A 235 -3.696 0.500 5.363 1.00 0.00 C ATOM 1023 C LEU A 235 -4.420 -0.154 6.544 1.00 0.00 C ATOM 1024 O LEU A 235 -3.974 -0.065 7.668 1.00 0.00 O ATOM 1025 CB LEU A 235 -2.180 0.313 5.560 1.00 0.00 C ATOM 1026 CG LEU A 235 -1.396 0.962 4.415 1.00 0.00 C ATOM 1027 CD1 LEU A 235 0.112 0.772 4.651 1.00 0.00 C ATOM 1028 CD2 LEU A 235 -1.798 0.325 3.071 1.00 0.00 C ATOM 0 H LEU A 235 -3.294 2.598 5.550 1.00 0.00 H new ATOM 0 HA LEU A 235 -3.985 0.049 4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -1.876 0.753 6.510 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -1.944 -0.750 5.611 1.00 0.00 H new ATOM 0 HG LEU A 235 -1.626 2.027 4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 235 0.669 1.234 3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 235 0.394 1.240 5.594 1.00 0.00 H new ATOM 0 HD13 LEU A 235 0.343 -0.293 4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.235 0.793 2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -1.579 -0.743 3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -2.865 0.473 2.903 1.00 0.00 H new ATOM 1040 N LYS A 236 -5.528 -0.806 6.304 1.00 0.00 N ATOM 1041 CA LYS A 236 -6.280 -1.456 7.420 1.00 0.00 C ATOM 1042 C LYS A 236 -5.318 -2.386 8.195 1.00 0.00 C ATOM 1043 O LYS A 236 -4.913 -3.409 7.680 1.00 0.00 O ATOM 1044 CB LYS A 236 -7.407 -2.299 6.809 1.00 0.00 C ATOM 1045 CG LYS A 236 -8.410 -2.722 7.884 1.00 0.00 C ATOM 1046 CD LYS A 236 -9.661 -3.287 7.205 1.00 0.00 C ATOM 1047 CE LYS A 236 -10.665 -3.730 8.263 1.00 0.00 C ATOM 1048 NZ LYS A 236 -11.128 -2.539 9.029 1.00 0.00 N ATOM 0 H LYS A 236 -5.946 -0.917 5.380 1.00 0.00 H new ATOM 0 HA LYS A 236 -6.690 -0.705 8.095 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -7.917 -1.727 6.034 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -6.987 -3.183 6.328 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -7.966 -3.472 8.539 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -8.674 -1.869 8.509 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -10.108 -2.531 6.559 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -9.392 -4.131 6.570 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -11.513 -4.226 7.791 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -10.206 -4.454 8.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -11.875 -2.823 9.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -10.329 -2.134 9.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -11.504 -1.827 8.370 1.00 0.00 H new ATOM 1062 N PRO A 237 -4.939 -2.051 9.417 1.00 0.00 N ATOM 1063 CA PRO A 237 -4.005 -2.893 10.220 1.00 0.00 C ATOM 1064 C PRO A 237 -4.748 -3.930 11.058 1.00 0.00 C ATOM 1065 O PRO A 237 -4.174 -4.621 11.879 1.00 0.00 O ATOM 1066 CB PRO A 237 -3.336 -1.868 11.130 1.00 0.00 C ATOM 1067 CG PRO A 237 -4.404 -0.849 11.407 1.00 0.00 C ATOM 1068 CD PRO A 237 -5.347 -0.853 10.187 1.00 0.00 C ATOM 0 HA PRO A 237 -3.315 -3.463 9.598 1.00 0.00 H new ATOM 0 HB2 PRO A 237 -2.980 -2.329 12.051 1.00 0.00 H new ATOM 0 HB3 PRO A 237 -2.471 -1.414 10.646 1.00 0.00 H new ATOM 0 HG2 PRO A 237 -4.949 -1.097 12.318 1.00 0.00 H new ATOM 0 HG3 PRO A 237 -3.967 0.139 11.556 1.00 0.00 H new ATOM 0 HD2 PRO A 237 -6.392 -0.912 10.491 1.00 0.00 H new ATOM 0 HD3 PRO A 237 -5.238 0.056 9.596 1.00 0.00 H new ATOM 1076 N GLU A 238 -6.027 -3.996 10.888 1.00 0.00 N ATOM 1077 CA GLU A 238 -6.843 -4.933 11.702 1.00 0.00 C ATOM 1078 C GLU A 238 -6.290 -6.361 11.630 1.00 0.00 C ATOM 1079 O GLU A 238 -6.218 -7.039 12.635 1.00 0.00 O ATOM 1080 CB GLU A 238 -8.285 -4.909 11.184 1.00 0.00 C ATOM 1081 CG GLU A 238 -8.898 -3.526 11.449 1.00 0.00 C ATOM 1082 CD GLU A 238 -9.058 -3.305 12.955 1.00 0.00 C ATOM 1083 OE1 GLU A 238 -8.970 -4.273 13.689 1.00 0.00 O ATOM 1084 OE2 GLU A 238 -9.269 -2.169 13.347 1.00 0.00 O ATOM 0 H GLU A 238 -6.552 -3.438 10.215 1.00 0.00 H new ATOM 0 HA GLU A 238 -6.808 -4.615 12.744 1.00 0.00 H new ATOM 0 HB2 GLU A 238 -8.304 -5.129 10.117 1.00 0.00 H new ATOM 0 HB3 GLU A 238 -8.874 -5.681 11.679 1.00 0.00 H new ATOM 0 HG2 GLU A 238 -8.262 -2.750 11.025 1.00 0.00 H new ATOM 0 HG3 GLU A 238 -9.867 -3.448 10.957 1.00 0.00 H new ATOM 1091 N TYR A 239 -5.919 -6.837 10.467 1.00 0.00 N ATOM 1092 CA TYR A 239 -5.397 -8.245 10.356 1.00 0.00 C ATOM 1093 C TYR A 239 -4.069 -8.304 9.594 1.00 0.00 C ATOM 1094 O TYR A 239 -3.685 -9.349 9.108 1.00 0.00 O ATOM 1095 CB TYR A 239 -6.431 -9.084 9.616 1.00 0.00 C ATOM 1096 CG TYR A 239 -6.571 -8.552 8.213 1.00 0.00 C ATOM 1097 CD1 TYR A 239 -7.413 -7.462 7.975 1.00 0.00 C ATOM 1098 CD2 TYR A 239 -5.849 -9.124 7.156 1.00 0.00 C ATOM 1099 CE1 TYR A 239 -7.540 -6.945 6.687 1.00 0.00 C ATOM 1100 CE2 TYR A 239 -5.975 -8.602 5.862 1.00 0.00 C ATOM 1101 CZ TYR A 239 -6.822 -7.513 5.630 1.00 0.00 C ATOM 1102 OH TYR A 239 -6.947 -6.996 4.356 1.00 0.00 O ATOM 0 H TYR A 239 -5.953 -6.318 9.590 1.00 0.00 H new ATOM 0 HA TYR A 239 -5.222 -8.627 11.362 1.00 0.00 H new ATOM 0 HB2 TYR A 239 -6.124 -10.130 9.595 1.00 0.00 H new ATOM 0 HB3 TYR A 239 -7.390 -9.044 10.133 1.00 0.00 H new ATOM 0 HD1 TYR A 239 -7.966 -7.020 8.790 1.00 0.00 H new ATOM 0 HD2 TYR A 239 -5.197 -9.965 7.339 1.00 0.00 H new ATOM 0 HE1 TYR A 239 -8.194 -6.105 6.505 1.00 0.00 H new ATOM 0 HE2 TYR A 239 -5.420 -9.039 5.045 1.00 0.00 H new ATOM 0 HH TYR A 239 -7.806 -6.532 4.274 1.00 0.00 H new ATOM 1112 N ARG A 240 -3.349 -7.221 9.494 1.00 0.00 N ATOM 1113 CA ARG A 240 -2.045 -7.291 8.771 1.00 0.00 C ATOM 1114 C ARG A 240 -1.024 -8.017 9.649 1.00 0.00 C ATOM 1115 O ARG A 240 -0.551 -7.489 10.636 1.00 0.00 O ATOM 1116 CB ARG A 240 -1.528 -5.873 8.449 1.00 0.00 C ATOM 1117 CG ARG A 240 -2.194 -5.317 7.164 1.00 0.00 C ATOM 1118 CD ARG A 240 -1.253 -5.488 5.958 1.00 0.00 C ATOM 1119 NE ARG A 240 -0.990 -6.935 5.734 1.00 0.00 N ATOM 1120 CZ ARG A 240 -0.467 -7.340 4.612 1.00 0.00 C ATOM 1121 NH1 ARG A 240 -0.181 -6.478 3.674 1.00 0.00 N ATOM 1122 NH2 ARG A 240 -0.227 -8.610 4.431 1.00 0.00 N ATOM 0 H ARG A 240 -3.599 -6.307 9.873 1.00 0.00 H new ATOM 0 HA ARG A 240 -2.187 -7.832 7.835 1.00 0.00 H new ATOM 0 HB2 ARG A 240 -1.735 -5.208 9.287 1.00 0.00 H new ATOM 0 HB3 ARG A 240 -0.446 -5.897 8.321 1.00 0.00 H new ATOM 0 HG2 ARG A 240 -3.133 -5.838 6.978 1.00 0.00 H new ATOM 0 HG3 ARG A 240 -2.436 -4.263 7.299 1.00 0.00 H new ATOM 0 HD2 ARG A 240 -1.702 -5.047 5.068 1.00 0.00 H new ATOM 0 HD3 ARG A 240 -0.316 -4.961 6.137 1.00 0.00 H new ATOM 0 HE ARG A 240 -1.220 -7.612 6.461 1.00 0.00 H new ATOM 0 HH11 ARG A 240 -0.367 -5.486 3.819 1.00 0.00 H new ATOM 0 HH12 ARG A 240 0.229 -6.797 2.796 1.00 0.00 H new ATOM 0 HH21 ARG A 240 -0.449 -9.281 5.167 1.00 0.00 H new ATOM 0 HH22 ARG A 240 0.182 -8.932 3.554 1.00 0.00 H new ATOM 1136 N HIS A 241 -0.665 -9.214 9.278 1.00 0.00 N ATOM 1137 CA HIS A 241 0.344 -9.969 10.064 1.00 0.00 C ATOM 1138 C HIS A 241 1.714 -9.405 9.708 1.00 0.00 C ATOM 1139 O HIS A 241 2.661 -9.492 10.466 1.00 0.00 O ATOM 1140 CB HIS A 241 0.283 -11.447 9.686 1.00 0.00 C ATOM 1141 CG HIS A 241 -1.096 -11.974 9.967 1.00 0.00 C ATOM 1142 ND1 HIS A 241 -1.428 -12.559 11.177 1.00 0.00 N ATOM 1143 CD2 HIS A 241 -2.240 -12.009 9.206 1.00 0.00 C ATOM 1144 CE1 HIS A 241 -2.721 -12.922 11.112 1.00 0.00 C ATOM 1145 NE2 HIS A 241 -3.265 -12.609 9.931 1.00 0.00 N ATOM 0 H HIS A 241 -1.030 -9.702 8.460 1.00 0.00 H new ATOM 0 HA HIS A 241 0.154 -9.874 11.133 1.00 0.00 H new ATOM 0 HB2 HIS A 241 0.526 -11.575 8.631 1.00 0.00 H new ATOM 0 HB3 HIS A 241 1.023 -12.011 10.254 1.00 0.00 H new ATOM 0 HD2 HIS A 241 -2.330 -11.629 8.199 1.00 0.00 H new ATOM 0 HE1 HIS A 241 -3.255 -13.407 11.916 1.00 0.00 H new ATOM 0 HE2 HIS A 241 -4.225 -12.774 9.627 1.00 0.00 H new ATOM 1153 N TYR A 242 1.806 -8.811 8.549 1.00 0.00 N ATOM 1154 CA TYR A 242 3.087 -8.203 8.098 1.00 0.00 C ATOM 1155 C TYR A 242 3.106 -6.735 8.514 1.00 0.00 C ATOM 1156 O TYR A 242 2.193 -5.986 8.225 1.00 0.00 O ATOM 1157 CB TYR A 242 3.182 -8.311 6.571 1.00 0.00 C ATOM 1158 CG TYR A 242 4.320 -7.452 6.058 1.00 0.00 C ATOM 1159 CD1 TYR A 242 5.642 -7.908 6.134 1.00 0.00 C ATOM 1160 CD2 TYR A 242 4.047 -6.194 5.507 1.00 0.00 C ATOM 1161 CE1 TYR A 242 6.688 -7.104 5.659 1.00 0.00 C ATOM 1162 CE2 TYR A 242 5.089 -5.389 5.034 1.00 0.00 C ATOM 1163 CZ TYR A 242 6.412 -5.844 5.109 1.00 0.00 C ATOM 1164 OH TYR A 242 7.444 -5.053 4.640 1.00 0.00 O ATOM 0 H TYR A 242 1.035 -8.721 7.887 1.00 0.00 H new ATOM 0 HA TYR A 242 3.932 -8.722 8.549 1.00 0.00 H new ATOM 0 HB2 TYR A 242 3.341 -9.350 6.281 1.00 0.00 H new ATOM 0 HB3 TYR A 242 2.243 -7.994 6.117 1.00 0.00 H new ATOM 0 HD1 TYR A 242 5.856 -8.878 6.558 1.00 0.00 H new ATOM 0 HD2 TYR A 242 3.027 -5.843 5.447 1.00 0.00 H new ATOM 0 HE1 TYR A 242 7.708 -7.456 5.717 1.00 0.00 H new ATOM 0 HE2 TYR A 242 4.874 -4.419 4.612 1.00 0.00 H new ATOM 0 HH TYR A 242 7.192 -4.664 3.777 1.00 0.00 H new ATOM 1174 N GLN A 243 4.140 -6.320 9.185 1.00 0.00 N ATOM 1175 CA GLN A 243 4.228 -4.900 9.623 1.00 0.00 C ATOM 1176 C GLN A 243 5.616 -4.641 10.213 1.00 0.00 C ATOM 1177 O GLN A 243 6.550 -4.306 9.515 1.00 0.00 O ATOM 1178 CB GLN A 243 3.161 -4.628 10.685 1.00 0.00 C ATOM 1179 CG GLN A 243 3.467 -5.455 11.936 1.00 0.00 C ATOM 1180 CD GLN A 243 2.288 -5.373 12.901 1.00 0.00 C ATOM 1181 OE1 GLN A 243 2.429 -4.910 14.014 1.00 0.00 O ATOM 1182 NE2 GLN A 243 1.122 -5.810 12.518 1.00 0.00 N ATOM 0 H GLN A 243 4.932 -6.905 9.451 1.00 0.00 H new ATOM 0 HA GLN A 243 4.065 -4.241 8.770 1.00 0.00 H new ATOM 0 HB2 GLN A 243 3.141 -3.567 10.933 1.00 0.00 H new ATOM 0 HB3 GLN A 243 2.174 -4.884 10.299 1.00 0.00 H new ATOM 0 HG2 GLN A 243 3.655 -6.493 11.662 1.00 0.00 H new ATOM 0 HG3 GLN A 243 4.372 -5.084 12.418 1.00 0.00 H new ATOM 0 HE21 GLN A 243 1.005 -6.199 11.582 1.00 0.00 H new ATOM 0 HE22 GLN A 243 0.326 -5.763 13.154 1.00 0.00 H new TER 1191 GLN A 243