USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 487 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 139 HIS :FLIP no HD1:sc= 0.0915 F(o=-3.4,f=-1.4) USER MOD Set 1.2: A 141 ASN :FLIP amide:sc= -1.48 F(o=-3.1!,f=-1.4) USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= 0.0312 USER MOD Single : A 145 GLN : amide:sc= -8.67! C(o=-8.7!,f=-8.9!) USER MOD Single : A 147 ASN : amide:sc= 0.445 K(o=0.45,f=-0.72) USER MOD Single : A 149 TYR OH : rot -95:sc= 0.0295 USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 151 HIS : no HD1:sc= -8.4! C(o=-8.4!,f=-10!) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 GLN : amide:sc= -0.0845 X(o=-0.085,f=-0.06) USER MOD Single : A 161 LYS NZ :NH3+ 153:sc= -0.133 (180deg=-0.813) USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 LYS NZ :NH3+ 155:sc= -0.0204 (180deg=-0.298) USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 SER OG : rot 15:sc= 0.0282 USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 ASN : amide:sc= -0.0504 X(o=-0.05,f=0) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 MET CE :methyl 162:sc= -0.81 (180deg=-1.55!) USER MOD Single : A 175 SER OG : rot 180:sc= 0 USER MOD Single : A 186 MET CE :methyl -173:sc=-0.00732 (180deg=-0.0799) USER MOD Single : A 188 THR OG1 : rot -156:sc= -0.348 USER MOD Single : A 197 ASN : amide:sc= -0.0832 K(o=-0.083,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 133 18.679 0.525 3.532 1.00 0.00 N ATOM 2 CA GLU A 133 19.555 -0.655 3.282 1.00 0.00 C ATOM 3 C GLU A 133 18.708 -1.815 2.771 1.00 0.00 C ATOM 4 O GLU A 133 19.236 -2.847 2.356 1.00 0.00 O ATOM 5 CB GLU A 133 20.254 -1.052 4.584 1.00 0.00 C ATOM 6 CG GLU A 133 21.129 0.106 5.068 1.00 0.00 C ATOM 7 CD GLU A 133 21.829 -0.277 6.368 1.00 0.00 C ATOM 8 OE1 GLU A 133 21.187 -0.890 7.205 1.00 0.00 O ATOM 9 OE2 GLU A 133 22.996 0.048 6.507 1.00 0.00 O ATOM 0 HA GLU A 133 20.307 -0.404 2.534 1.00 0.00 H new ATOM 0 HB2 GLU A 133 19.514 -1.305 5.344 1.00 0.00 H new ATOM 0 HB3 GLU A 133 20.864 -1.941 4.425 1.00 0.00 H new ATOM 0 HG2 GLU A 133 21.868 0.357 4.307 1.00 0.00 H new ATOM 0 HG3 GLU A 133 20.517 0.995 5.223 1.00 0.00 H new ATOM 18 N ALA A 134 17.391 -1.638 2.805 1.00 0.00 N ATOM 19 CA ALA A 134 16.478 -2.678 2.341 1.00 0.00 C ATOM 20 C ALA A 134 15.050 -2.147 2.285 1.00 0.00 C ATOM 21 O ALA A 134 14.736 -1.116 2.880 1.00 0.00 O ATOM 22 CB ALA A 134 16.540 -3.884 3.281 1.00 0.00 C ATOM 0 H ALA A 134 16.934 -0.792 3.146 1.00 0.00 H new ATOM 0 HA ALA A 134 16.781 -2.983 1.339 1.00 0.00 H new ATOM 0 HB1 ALA A 134 15.856 -4.656 2.928 1.00 0.00 H new ATOM 0 HB2 ALA A 134 17.556 -4.280 3.299 1.00 0.00 H new ATOM 0 HB3 ALA A 134 16.253 -3.577 4.287 1.00 0.00 H new ATOM 28 N CYS A 135 14.187 -2.858 1.566 1.00 0.00 N ATOM 29 CA CYS A 135 12.793 -2.446 1.439 1.00 0.00 C ATOM 30 C CYS A 135 12.112 -2.447 2.803 1.00 0.00 C ATOM 31 O CYS A 135 12.518 -3.175 3.710 1.00 0.00 O ATOM 32 CB CYS A 135 12.058 -3.387 0.481 1.00 0.00 C ATOM 33 SG CYS A 135 12.662 -3.108 -1.206 1.00 0.00 S ATOM 0 H CYS A 135 14.425 -3.715 1.066 1.00 0.00 H new ATOM 0 HA CYS A 135 12.761 -1.433 1.037 1.00 0.00 H new ATOM 0 HB2 CYS A 135 12.223 -4.424 0.773 1.00 0.00 H new ATOM 0 HB3 CYS A 135 10.984 -3.209 0.530 1.00 0.00 H new ATOM 38 N GLN A 136 11.075 -1.620 2.946 1.00 0.00 N ATOM 39 CA GLN A 136 10.335 -1.518 4.207 1.00 0.00 C ATOM 40 C GLN A 136 8.861 -1.825 3.979 1.00 0.00 C ATOM 41 O GLN A 136 8.349 -1.655 2.876 1.00 0.00 O ATOM 42 CB GLN A 136 10.479 -0.105 4.778 1.00 0.00 C ATOM 43 CG GLN A 136 11.930 0.127 5.201 1.00 0.00 C ATOM 44 CD GLN A 136 12.102 1.551 5.720 1.00 0.00 C ATOM 45 OE1 GLN A 136 11.435 1.948 6.677 1.00 0.00 O ATOM 46 NE2 GLN A 136 12.959 2.348 5.143 1.00 0.00 N ATOM 0 H GLN A 136 10.728 -1.011 2.205 1.00 0.00 H new ATOM 0 HA GLN A 136 10.744 -2.241 4.913 1.00 0.00 H new ATOM 0 HB2 GLN A 136 10.184 0.632 4.032 1.00 0.00 H new ATOM 0 HB3 GLN A 136 9.815 0.023 5.633 1.00 0.00 H new ATOM 0 HG2 GLN A 136 12.210 -0.587 5.975 1.00 0.00 H new ATOM 0 HG3 GLN A 136 12.596 -0.043 4.355 1.00 0.00 H new ATOM 0 HE21 GLN A 136 13.510 2.017 4.351 1.00 0.00 H new ATOM 0 HE22 GLN A 136 13.078 3.302 5.484 1.00 0.00 H new ATOM 55 N PHE A 137 8.184 -2.287 5.030 1.00 0.00 N ATOM 56 CA PHE A 137 6.762 -2.629 4.935 1.00 0.00 C ATOM 57 C PHE A 137 5.909 -1.614 5.696 1.00 0.00 C ATOM 58 O PHE A 137 6.258 -1.194 6.799 1.00 0.00 O ATOM 59 CB PHE A 137 6.536 -4.038 5.504 1.00 0.00 C ATOM 60 CG PHE A 137 5.051 -4.321 5.630 1.00 0.00 C ATOM 61 CD1 PHE A 137 4.219 -4.217 4.509 1.00 0.00 C ATOM 62 CD2 PHE A 137 4.507 -4.685 6.872 1.00 0.00 C ATOM 63 CE1 PHE A 137 2.853 -4.474 4.625 1.00 0.00 C ATOM 64 CE2 PHE A 137 3.136 -4.943 6.985 1.00 0.00 C ATOM 65 CZ PHE A 137 2.309 -4.839 5.862 1.00 0.00 C ATOM 0 H PHE A 137 8.593 -2.433 5.953 1.00 0.00 H new ATOM 0 HA PHE A 137 6.464 -2.607 3.887 1.00 0.00 H new ATOM 0 HB2 PHE A 137 7.001 -4.779 4.854 1.00 0.00 H new ATOM 0 HB3 PHE A 137 7.014 -4.125 6.480 1.00 0.00 H new ATOM 0 HD1 PHE A 137 4.636 -3.937 3.553 1.00 0.00 H new ATOM 0 HD2 PHE A 137 5.146 -4.766 7.739 1.00 0.00 H new ATOM 0 HE1 PHE A 137 2.214 -4.391 3.759 1.00 0.00 H new ATOM 0 HE2 PHE A 137 2.716 -5.223 7.940 1.00 0.00 H new ATOM 0 HZ PHE A 137 1.251 -5.040 5.949 1.00 0.00 H new ATOM 75 N SER A 138 4.785 -1.229 5.090 1.00 0.00 N ATOM 76 CA SER A 138 3.873 -0.266 5.705 1.00 0.00 C ATOM 77 C SER A 138 2.433 -0.559 5.285 1.00 0.00 C ATOM 78 O SER A 138 2.161 -0.837 4.116 1.00 0.00 O ATOM 79 CB SER A 138 4.252 1.153 5.278 1.00 0.00 C ATOM 80 OG SER A 138 3.641 2.087 6.157 1.00 0.00 O ATOM 0 H SER A 138 4.486 -1.569 4.176 1.00 0.00 H new ATOM 0 HA SER A 138 3.951 -0.352 6.789 1.00 0.00 H new ATOM 0 HB2 SER A 138 5.335 1.274 5.297 1.00 0.00 H new ATOM 0 HB3 SER A 138 3.929 1.335 4.253 1.00 0.00 H new ATOM 0 HG SER A 138 3.883 2.997 5.887 1.00 0.00 H new ATOM 86 N HIS A 139 1.513 -0.500 6.249 1.00 0.00 N ATOM 87 CA HIS A 139 0.093 -0.765 5.981 1.00 0.00 C ATOM 88 C HIS A 139 -0.793 0.303 6.618 1.00 0.00 C ATOM 89 O HIS A 139 -0.370 1.015 7.529 1.00 0.00 O ATOM 90 CB HIS A 139 -0.296 -2.141 6.526 1.00 0.00 C ATOM 91 CG HIS A 139 -0.216 -2.128 8.027 1.00 0.00 C ATOM 92 ND1 HIS A 139 -1.129 -1.781 8.989 1.00 0.00 N flip ATOM 93 CD2 HIS A 139 0.928 -2.512 8.711 1.00 0.00 C flip ATOM 94 CE1 HIS A 139 -0.566 -1.943 10.252 1.00 0.00 C flip ATOM 95 NE2 HIS A 139 0.675 -2.385 10.026 1.00 0.00 N flip ATOM 0 H HIS A 139 1.722 -0.272 7.221 1.00 0.00 H new ATOM 0 HA HIS A 139 -0.056 -0.743 4.901 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -1.306 -2.397 6.208 1.00 0.00 H new ATOM 0 HB3 HIS A 139 0.369 -2.905 6.123 1.00 0.00 H new ATOM 0 HD2 HIS A 139 1.853 -2.851 8.269 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -1.031 -1.753 11.208 1.00 0.00 H new ATOM 0 HE2 HIS A 139 1.348 -2.600 10.761 1.00 0.00 H new ATOM 104 N VAL A 140 -2.027 0.403 6.124 1.00 0.00 N ATOM 105 CA VAL A 140 -2.989 1.384 6.634 1.00 0.00 C ATOM 106 C VAL A 140 -4.358 0.725 6.807 1.00 0.00 C ATOM 107 O VAL A 140 -4.986 0.321 5.830 1.00 0.00 O ATOM 108 CB VAL A 140 -3.087 2.556 5.645 1.00 0.00 C ATOM 109 CG1 VAL A 140 -4.277 3.456 5.994 1.00 0.00 C ATOM 110 CG2 VAL A 140 -1.800 3.382 5.713 1.00 0.00 C ATOM 0 H VAL A 140 -2.386 -0.183 5.370 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.655 1.756 7.603 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.227 2.156 4.641 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -4.330 4.280 5.283 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.198 2.876 5.947 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -4.150 3.853 7.001 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -1.865 4.215 5.013 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -1.668 3.767 6.724 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -0.950 2.753 5.451 1.00 0.00 H new ATOM 120 N ASN A 141 -4.817 0.611 8.057 1.00 0.00 N ATOM 121 CA ASN A 141 -6.112 -0.016 8.335 1.00 0.00 C ATOM 122 C ASN A 141 -6.779 0.593 9.571 1.00 0.00 C ATOM 123 O ASN A 141 -6.192 0.615 10.654 1.00 0.00 O ATOM 124 CB ASN A 141 -5.920 -1.524 8.549 1.00 0.00 C ATOM 125 CG ASN A 141 -5.268 -1.794 9.905 1.00 0.00 C ATOM 126 OD1 ASN A 141 -5.999 -1.771 10.984 1.00 0.00 O flip ATOM 127 ND2 ASN A 141 -4.064 -2.037 9.978 1.00 0.00 N flip ATOM 0 H ASN A 141 -4.318 0.940 8.883 1.00 0.00 H new ATOM 0 HA ASN A 141 -6.761 0.161 7.477 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -6.884 -2.030 8.495 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.299 -1.934 7.752 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -3.495 -2.054 9.132 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -3.635 -2.221 10.885 1.00 0.00 H new ATOM 134 N SER A 142 -8.018 1.067 9.409 1.00 0.00 N ATOM 135 CA SER A 142 -8.774 1.648 10.523 1.00 0.00 C ATOM 136 C SER A 142 -10.232 1.200 10.452 1.00 0.00 C ATOM 137 O SER A 142 -10.619 0.455 9.552 1.00 0.00 O ATOM 138 CB SER A 142 -8.693 3.178 10.501 1.00 0.00 C ATOM 139 OG SER A 142 -8.957 3.676 11.807 1.00 0.00 O ATOM 0 H SER A 142 -8.518 1.060 8.520 1.00 0.00 H new ATOM 0 HA SER A 142 -8.334 1.297 11.456 1.00 0.00 H new ATOM 0 HB2 SER A 142 -7.705 3.498 10.169 1.00 0.00 H new ATOM 0 HB3 SER A 142 -9.414 3.583 9.791 1.00 0.00 H new ATOM 0 HG SER A 142 -8.905 4.655 11.801 1.00 0.00 H new ATOM 145 N ARG A 143 -11.035 1.654 11.408 1.00 0.00 N ATOM 146 CA ARG A 143 -12.447 1.287 11.443 1.00 0.00 C ATOM 147 C ARG A 143 -13.238 2.010 10.352 1.00 0.00 C ATOM 148 O ARG A 143 -14.150 1.437 9.755 1.00 0.00 O ATOM 149 CB ARG A 143 -13.037 1.627 12.818 1.00 0.00 C ATOM 150 CG ARG A 143 -12.577 0.592 13.853 1.00 0.00 C ATOM 151 CD ARG A 143 -11.049 0.510 13.868 1.00 0.00 C ATOM 152 NE ARG A 143 -10.590 -0.104 15.108 1.00 0.00 N ATOM 153 CZ ARG A 143 -10.670 0.543 16.266 1.00 0.00 C ATOM 154 NH1 ARG A 143 -11.166 1.750 16.307 1.00 0.00 N ATOM 155 NH2 ARG A 143 -10.254 -0.028 17.363 1.00 0.00 N ATOM 0 H ARG A 143 -10.737 2.271 12.163 1.00 0.00 H new ATOM 0 HA ARG A 143 -12.522 0.215 11.263 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -12.721 2.625 13.123 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -14.126 1.641 12.763 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -12.944 0.866 14.842 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -12.999 -0.384 13.616 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -10.700 -0.072 13.015 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -10.623 1.508 13.769 1.00 0.00 H new ATOM 0 HE ARG A 143 -10.201 -1.047 15.086 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -11.492 2.197 15.450 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -11.227 2.246 17.196 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -9.867 -0.971 17.332 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -10.316 0.469 18.252 1.00 0.00 H new ATOM 169 N ASP A 144 -12.898 3.275 10.109 1.00 0.00 N ATOM 170 CA ASP A 144 -13.601 4.073 9.098 1.00 0.00 C ATOM 171 C ASP A 144 -12.907 4.002 7.740 1.00 0.00 C ATOM 172 O ASP A 144 -13.533 4.224 6.705 1.00 0.00 O ATOM 173 CB ASP A 144 -13.669 5.532 9.554 1.00 0.00 C ATOM 174 CG ASP A 144 -14.506 6.346 8.574 1.00 0.00 C ATOM 175 OD1 ASP A 144 -14.046 6.554 7.463 1.00 0.00 O ATOM 176 OD2 ASP A 144 -15.594 6.751 8.947 1.00 0.00 O ATOM 0 H ASP A 144 -12.147 3.769 10.592 1.00 0.00 H new ATOM 0 HA ASP A 144 -14.605 3.663 8.988 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -14.104 5.590 10.552 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -12.664 5.948 9.620 1.00 0.00 H new ATOM 181 N GLN A 145 -11.612 3.707 7.748 1.00 0.00 N ATOM 182 CA GLN A 145 -10.849 3.626 6.505 1.00 0.00 C ATOM 183 C GLN A 145 -11.441 2.567 5.569 1.00 0.00 C ATOM 184 O GLN A 145 -10.897 1.473 5.439 1.00 0.00 O ATOM 185 CB GLN A 145 -9.382 3.291 6.831 1.00 0.00 C ATOM 186 CG GLN A 145 -8.594 4.579 7.122 1.00 0.00 C ATOM 187 CD GLN A 145 -7.117 4.257 7.312 1.00 0.00 C ATOM 188 OE1 GLN A 145 -6.253 4.974 6.808 1.00 0.00 O ATOM 189 NE2 GLN A 145 -6.778 3.216 8.015 1.00 0.00 N ATOM 0 H GLN A 145 -11.071 3.521 8.593 1.00 0.00 H new ATOM 0 HA GLN A 145 -10.899 4.588 5.995 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -9.336 2.626 7.693 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -8.928 2.760 5.994 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -8.718 5.284 6.300 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -8.987 5.061 8.017 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -7.498 2.625 8.431 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -5.792 2.991 8.150 1.00 0.00 H new ATOM 198 N CYS A 146 -12.554 2.912 4.919 1.00 0.00 N ATOM 199 CA CYS A 146 -13.236 2.005 3.985 1.00 0.00 C ATOM 200 C CYS A 146 -13.264 2.620 2.579 1.00 0.00 C ATOM 201 O CYS A 146 -14.050 3.528 2.308 1.00 0.00 O ATOM 202 CB CYS A 146 -14.666 1.761 4.494 1.00 0.00 C ATOM 203 SG CYS A 146 -15.531 0.581 3.428 1.00 0.00 S ATOM 0 H CYS A 146 -13.008 3.820 5.022 1.00 0.00 H new ATOM 0 HA CYS A 146 -12.701 1.057 3.929 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -14.634 1.381 5.515 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -15.213 2.703 4.522 1.00 0.00 H new ATOM 208 N ASN A 147 -12.382 2.133 1.694 1.00 0.00 N ATOM 209 CA ASN A 147 -12.289 2.653 0.318 1.00 0.00 C ATOM 210 C ASN A 147 -12.205 1.516 -0.709 1.00 0.00 C ATOM 211 O ASN A 147 -11.969 0.361 -0.355 1.00 0.00 O ATOM 212 CB ASN A 147 -11.049 3.541 0.185 1.00 0.00 C ATOM 213 CG ASN A 147 -10.930 4.455 1.400 1.00 0.00 C ATOM 214 OD1 ASN A 147 -11.378 5.601 1.361 1.00 0.00 O ATOM 215 ND2 ASN A 147 -10.351 4.015 2.483 1.00 0.00 N ATOM 0 H ASN A 147 -11.724 1.382 1.904 1.00 0.00 H new ATOM 0 HA ASN A 147 -13.191 3.231 0.118 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -10.156 2.922 0.096 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -11.115 4.138 -0.725 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -10.269 4.621 3.299 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -9.980 3.065 2.513 1.00 0.00 H new ATOM 222 N ASP A 148 -12.409 1.859 -1.985 1.00 0.00 N ATOM 223 CA ASP A 148 -12.365 0.870 -3.068 1.00 0.00 C ATOM 224 C ASP A 148 -10.933 0.464 -3.407 1.00 0.00 C ATOM 225 O ASP A 148 -9.977 1.178 -3.104 1.00 0.00 O ATOM 226 CB ASP A 148 -13.056 1.427 -4.317 1.00 0.00 C ATOM 227 CG ASP A 148 -12.571 2.841 -4.604 1.00 0.00 C ATOM 228 OD1 ASP A 148 -11.595 2.977 -5.322 1.00 0.00 O ATOM 229 OD2 ASP A 148 -13.185 3.769 -4.103 1.00 0.00 O ATOM 0 H ASP A 148 -12.606 2.811 -2.293 1.00 0.00 H new ATOM 0 HA ASP A 148 -12.892 -0.020 -2.723 1.00 0.00 H new ATOM 0 HB2 ASP A 148 -12.849 0.784 -5.172 1.00 0.00 H new ATOM 0 HB3 ASP A 148 -14.136 1.428 -4.173 1.00 0.00 H new ATOM 234 N TYR A 149 -10.805 -0.700 -4.041 1.00 0.00 N ATOM 235 CA TYR A 149 -9.502 -1.229 -4.430 1.00 0.00 C ATOM 236 C TYR A 149 -8.654 -0.153 -5.101 1.00 0.00 C ATOM 237 O TYR A 149 -7.559 0.168 -4.639 1.00 0.00 O ATOM 238 CB TYR A 149 -9.697 -2.399 -5.399 1.00 0.00 C ATOM 239 CG TYR A 149 -8.370 -3.057 -5.701 1.00 0.00 C ATOM 240 CD1 TYR A 149 -7.892 -4.089 -4.880 1.00 0.00 C ATOM 241 CD2 TYR A 149 -7.623 -2.643 -6.811 1.00 0.00 C ATOM 242 CE1 TYR A 149 -6.667 -4.703 -5.169 1.00 0.00 C ATOM 243 CE2 TYR A 149 -6.399 -3.257 -7.099 1.00 0.00 C ATOM 244 CZ TYR A 149 -5.921 -4.287 -6.279 1.00 0.00 C ATOM 245 OH TYR A 149 -4.715 -4.893 -6.566 1.00 0.00 O ATOM 0 H TYR A 149 -11.592 -1.296 -4.297 1.00 0.00 H new ATOM 0 HA TYR A 149 -8.985 -1.568 -3.532 1.00 0.00 H new ATOM 0 HB2 TYR A 149 -10.382 -3.128 -4.966 1.00 0.00 H new ATOM 0 HB3 TYR A 149 -10.153 -2.043 -6.323 1.00 0.00 H new ATOM 0 HD1 TYR A 149 -8.469 -4.410 -4.025 1.00 0.00 H new ATOM 0 HD2 TYR A 149 -7.992 -1.850 -7.445 1.00 0.00 H new ATOM 0 HE1 TYR A 149 -6.298 -5.497 -4.536 1.00 0.00 H new ATOM 0 HE2 TYR A 149 -5.822 -2.936 -7.954 1.00 0.00 H new ATOM 0 HH TYR A 149 -3.985 -4.371 -6.173 1.00 0.00 H new ATOM 255 N GLN A 150 -9.168 0.398 -6.197 1.00 0.00 N ATOM 256 CA GLN A 150 -8.449 1.433 -6.932 1.00 0.00 C ATOM 257 C GLN A 150 -8.075 2.588 -6.011 1.00 0.00 C ATOM 258 O GLN A 150 -6.927 3.033 -5.995 1.00 0.00 O ATOM 259 CB GLN A 150 -9.312 1.951 -8.083 1.00 0.00 C ATOM 260 CG GLN A 150 -8.579 3.085 -8.811 1.00 0.00 C ATOM 261 CD GLN A 150 -9.145 3.263 -10.211 1.00 0.00 C ATOM 262 OE1 GLN A 150 -9.978 4.138 -10.443 1.00 0.00 O ATOM 263 NE2 GLN A 150 -8.734 2.477 -11.163 1.00 0.00 N ATOM 0 H GLN A 150 -10.074 0.147 -6.593 1.00 0.00 H new ATOM 0 HA GLN A 150 -7.534 0.997 -7.333 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -9.531 1.141 -8.779 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -10.268 2.310 -7.701 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -8.681 4.013 -8.249 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.514 2.862 -8.867 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -8.043 1.753 -10.964 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -9.103 2.584 -12.108 1.00 0.00 H new ATOM 272 N HIS A 151 -9.047 3.072 -5.245 1.00 0.00 N ATOM 273 CA HIS A 151 -8.799 4.177 -4.328 1.00 0.00 C ATOM 274 C HIS A 151 -7.589 3.870 -3.453 1.00 0.00 C ATOM 275 O HIS A 151 -6.698 4.705 -3.298 1.00 0.00 O ATOM 276 CB HIS A 151 -10.033 4.419 -3.442 1.00 0.00 C ATOM 277 CG HIS A 151 -11.038 5.269 -4.179 1.00 0.00 C ATOM 278 ND1 HIS A 151 -11.082 5.330 -5.563 1.00 0.00 N ATOM 279 CD2 HIS A 151 -12.038 6.098 -3.735 1.00 0.00 C ATOM 280 CE1 HIS A 151 -12.078 6.169 -5.900 1.00 0.00 C ATOM 281 NE2 HIS A 151 -12.694 6.665 -4.825 1.00 0.00 N ATOM 0 H HIS A 151 -10.004 2.720 -5.241 1.00 0.00 H new ATOM 0 HA HIS A 151 -8.599 5.076 -4.911 1.00 0.00 H new ATOM 0 HB2 HIS A 151 -10.484 3.466 -3.164 1.00 0.00 H new ATOM 0 HB3 HIS A 151 -9.736 4.913 -2.517 1.00 0.00 H new ATOM 0 HD2 HIS A 151 -12.279 6.282 -2.699 1.00 0.00 H new ATOM 0 HE1 HIS A 151 -12.347 6.412 -6.917 1.00 0.00 H new ATOM 0 HE2 HIS A 151 -13.477 7.319 -4.806 1.00 0.00 H new ATOM 290 N TRP A 152 -7.564 2.674 -2.874 1.00 0.00 N ATOM 291 CA TRP A 152 -6.456 2.294 -2.012 1.00 0.00 C ATOM 292 C TRP A 152 -5.137 2.333 -2.789 1.00 0.00 C ATOM 293 O TRP A 152 -4.144 2.873 -2.312 1.00 0.00 O ATOM 294 CB TRP A 152 -6.678 0.882 -1.426 1.00 0.00 C ATOM 295 CG TRP A 152 -7.465 0.941 -0.151 1.00 0.00 C ATOM 296 CD1 TRP A 152 -8.565 0.194 0.102 1.00 0.00 C ATOM 297 CD2 TRP A 152 -7.230 1.747 1.050 1.00 0.00 C ATOM 298 NE1 TRP A 152 -9.028 0.492 1.369 1.00 0.00 N ATOM 299 CE2 TRP A 152 -8.245 1.445 1.991 1.00 0.00 C ATOM 300 CE3 TRP A 152 -6.254 2.706 1.420 1.00 0.00 C ATOM 301 CZ2 TRP A 152 -8.294 2.066 3.237 1.00 0.00 C ATOM 302 CZ3 TRP A 152 -6.305 3.325 2.673 1.00 0.00 C ATOM 303 CH2 TRP A 152 -7.319 3.011 3.578 1.00 0.00 C ATOM 0 H TRP A 152 -8.287 1.963 -2.984 1.00 0.00 H new ATOM 0 HA TRP A 152 -6.406 3.009 -1.191 1.00 0.00 H new ATOM 0 HB2 TRP A 152 -7.204 0.263 -2.153 1.00 0.00 H new ATOM 0 HB3 TRP A 152 -5.715 0.407 -1.240 1.00 0.00 H new ATOM 0 HD1 TRP A 152 -9.009 -0.519 -0.577 1.00 0.00 H new ATOM 0 HE1 TRP A 152 -9.849 0.060 1.794 1.00 0.00 H new ATOM 0 HE3 TRP A 152 -5.464 2.961 0.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 152 -9.080 1.820 3.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 152 -5.553 4.052 2.942 1.00 0.00 H new ATOM 0 HH2 TRP A 152 -7.352 3.497 4.542 1.00 0.00 H new ATOM 314 N LYS A 153 -5.137 1.747 -3.979 1.00 0.00 N ATOM 315 CA LYS A 153 -3.934 1.709 -4.805 1.00 0.00 C ATOM 316 C LYS A 153 -3.293 3.091 -4.887 1.00 0.00 C ATOM 317 O LYS A 153 -2.071 3.222 -4.821 1.00 0.00 O ATOM 318 CB LYS A 153 -4.301 1.193 -6.211 1.00 0.00 C ATOM 319 CG LYS A 153 -3.119 0.443 -6.863 1.00 0.00 C ATOM 320 CD LYS A 153 -3.644 -0.504 -7.952 1.00 0.00 C ATOM 321 CE LYS A 153 -4.294 0.301 -9.083 1.00 0.00 C ATOM 322 NZ LYS A 153 -4.322 -0.525 -10.324 1.00 0.00 N ATOM 0 H LYS A 153 -5.951 1.293 -4.394 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.208 1.033 -4.353 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -5.162 0.528 -6.143 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -4.595 2.031 -6.843 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -2.417 1.156 -7.295 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -2.574 -0.123 -6.108 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -2.825 -1.105 -8.347 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -4.370 -1.196 -7.524 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -5.307 0.591 -8.803 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -3.736 1.221 -9.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -4.763 0.019 -11.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -3.350 -0.780 -10.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -4.873 -1.391 -10.153 1.00 0.00 H new ATOM 336 N ASP A 154 -4.119 4.117 -5.026 1.00 0.00 N ATOM 337 CA ASP A 154 -3.606 5.477 -5.107 1.00 0.00 C ATOM 338 C ASP A 154 -3.139 5.959 -3.737 1.00 0.00 C ATOM 339 O ASP A 154 -2.035 6.483 -3.600 1.00 0.00 O ATOM 340 CB ASP A 154 -4.691 6.415 -5.637 1.00 0.00 C ATOM 341 CG ASP A 154 -5.012 6.073 -7.089 1.00 0.00 C ATOM 342 OD1 ASP A 154 -4.089 5.758 -7.821 1.00 0.00 O ATOM 343 OD2 ASP A 154 -6.178 6.130 -7.447 1.00 0.00 O ATOM 0 H ASP A 154 -5.134 4.037 -5.084 1.00 0.00 H new ATOM 0 HA ASP A 154 -2.756 5.482 -5.790 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -5.590 6.327 -5.027 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -4.356 7.450 -5.564 1.00 0.00 H new ATOM 348 N GLU A 155 -3.984 5.778 -2.724 1.00 0.00 N ATOM 349 CA GLU A 155 -3.647 6.206 -1.369 1.00 0.00 C ATOM 350 C GLU A 155 -2.346 5.559 -0.893 1.00 0.00 C ATOM 351 O GLU A 155 -1.431 6.251 -0.445 1.00 0.00 O ATOM 352 CB GLU A 155 -4.799 5.862 -0.412 1.00 0.00 C ATOM 353 CG GLU A 155 -4.365 6.071 1.054 1.00 0.00 C ATOM 354 CD GLU A 155 -5.569 6.445 1.918 1.00 0.00 C ATOM 355 OE1 GLU A 155 -6.642 5.924 1.660 1.00 0.00 O ATOM 356 OE2 GLU A 155 -5.398 7.245 2.823 1.00 0.00 O ATOM 0 H GLU A 155 -4.901 5.341 -2.815 1.00 0.00 H new ATOM 0 HA GLU A 155 -3.498 7.286 -1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -5.663 6.488 -0.634 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -5.108 4.827 -0.562 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -3.904 5.161 1.437 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -3.612 6.857 1.108 1.00 0.00 H new ATOM 363 N ALA A 156 -2.257 4.235 -0.995 1.00 0.00 N ATOM 364 CA ALA A 156 -1.048 3.535 -0.572 1.00 0.00 C ATOM 365 C ALA A 156 0.157 4.126 -1.290 1.00 0.00 C ATOM 366 O ALA A 156 1.258 4.183 -0.741 1.00 0.00 O ATOM 367 CB ALA A 156 -1.156 2.038 -0.885 1.00 0.00 C ATOM 0 H ALA A 156 -2.995 3.634 -1.361 1.00 0.00 H new ATOM 0 HA ALA A 156 -0.929 3.656 0.505 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -0.246 1.532 -0.563 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -2.011 1.617 -0.357 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -1.288 1.899 -1.958 1.00 0.00 H new ATOM 373 N GLY A 157 -0.066 4.578 -2.519 1.00 0.00 N ATOM 374 CA GLY A 157 1.002 5.179 -3.307 1.00 0.00 C ATOM 375 C GLY A 157 1.473 6.483 -2.667 1.00 0.00 C ATOM 376 O GLY A 157 2.673 6.704 -2.503 1.00 0.00 O ATOM 0 H GLY A 157 -0.971 4.540 -2.988 1.00 0.00 H new ATOM 0 HA2 GLY A 157 1.838 4.484 -3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 157 0.650 5.371 -4.320 1.00 0.00 H new ATOM 380 N LYS A 158 0.522 7.345 -2.309 1.00 0.00 N ATOM 381 CA LYS A 158 0.860 8.623 -1.692 1.00 0.00 C ATOM 382 C LYS A 158 1.484 8.414 -0.316 1.00 0.00 C ATOM 383 O LYS A 158 2.399 9.138 0.073 1.00 0.00 O ATOM 384 CB LYS A 158 -0.391 9.497 -1.547 1.00 0.00 C ATOM 385 CG LYS A 158 -1.179 9.521 -2.869 1.00 0.00 C ATOM 386 CD LYS A 158 -1.990 10.819 -2.973 1.00 0.00 C ATOM 387 CE LYS A 158 -3.002 10.882 -1.827 1.00 0.00 C ATOM 388 NZ LYS A 158 -3.973 11.982 -2.081 1.00 0.00 N ATOM 0 H LYS A 158 -0.477 7.183 -2.434 1.00 0.00 H new ATOM 0 HA LYS A 158 1.581 9.123 -2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 158 -1.022 9.112 -0.746 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -0.105 10.511 -1.267 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -0.493 9.443 -3.712 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -1.846 8.661 -2.920 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -1.324 11.681 -2.932 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -2.507 10.861 -3.932 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -3.528 9.931 -1.740 1.00 0.00 H new ATOM 0 HE3 LYS A 158 -2.486 11.049 -0.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 -4.661 12.025 -1.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 -3.464 12.887 -2.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 -4.473 11.804 -2.975 1.00 0.00 H new ATOM 402 N GLN A 159 0.980 7.429 0.422 1.00 0.00 N ATOM 403 CA GLN A 159 1.501 7.155 1.760 1.00 0.00 C ATOM 404 C GLN A 159 3.001 6.856 1.699 1.00 0.00 C ATOM 405 O GLN A 159 3.769 7.310 2.545 1.00 0.00 O ATOM 406 CB GLN A 159 0.745 5.964 2.393 1.00 0.00 C ATOM 407 CG GLN A 159 0.600 6.175 3.908 1.00 0.00 C ATOM 408 CD GLN A 159 -0.526 7.164 4.195 1.00 0.00 C ATOM 409 OE1 GLN A 159 -0.285 8.241 4.743 1.00 0.00 O ATOM 410 NE2 GLN A 159 -1.750 6.862 3.854 1.00 0.00 N ATOM 0 H GLN A 159 0.223 6.815 0.123 1.00 0.00 H new ATOM 0 HA GLN A 159 1.348 8.039 2.380 1.00 0.00 H new ATOM 0 HB2 GLN A 159 -0.240 5.864 1.936 1.00 0.00 H new ATOM 0 HB3 GLN A 159 1.283 5.036 2.197 1.00 0.00 H new ATOM 0 HG2 GLN A 159 0.392 5.223 4.397 1.00 0.00 H new ATOM 0 HG3 GLN A 159 1.537 6.548 4.322 1.00 0.00 H new ATOM 0 HE21 GLN A 159 -1.948 5.970 3.400 1.00 0.00 H new ATOM 0 HE22 GLN A 159 -2.508 7.518 4.041 1.00 0.00 H new ATOM 419 N CYS A 160 3.404 6.081 0.700 1.00 0.00 N ATOM 420 CA CYS A 160 4.807 5.724 0.541 1.00 0.00 C ATOM 421 C CYS A 160 5.608 6.887 -0.035 1.00 0.00 C ATOM 422 O CYS A 160 6.720 7.171 0.413 1.00 0.00 O ATOM 423 CB CYS A 160 4.922 4.518 -0.387 1.00 0.00 C ATOM 424 SG CYS A 160 6.575 3.796 -0.238 1.00 0.00 S ATOM 0 H CYS A 160 2.783 5.690 -0.008 1.00 0.00 H new ATOM 0 HA CYS A 160 5.213 5.481 1.523 1.00 0.00 H new ATOM 0 HB2 CYS A 160 4.165 3.776 -0.132 1.00 0.00 H new ATOM 0 HB3 CYS A 160 4.737 4.820 -1.418 1.00 0.00 H new ATOM 429 N LYS A 161 5.042 7.548 -1.039 1.00 0.00 N ATOM 430 CA LYS A 161 5.717 8.671 -1.681 1.00 0.00 C ATOM 431 C LYS A 161 5.957 9.805 -0.691 1.00 0.00 C ATOM 432 O LYS A 161 7.077 10.302 -0.566 1.00 0.00 O ATOM 433 CB LYS A 161 4.873 9.186 -2.853 1.00 0.00 C ATOM 434 CG LYS A 161 4.796 8.121 -3.965 1.00 0.00 C ATOM 435 CD LYS A 161 6.024 8.215 -4.882 1.00 0.00 C ATOM 436 CE LYS A 161 5.844 7.269 -6.070 1.00 0.00 C ATOM 437 NZ LYS A 161 4.653 7.690 -6.863 1.00 0.00 N ATOM 0 H LYS A 161 4.124 7.328 -1.424 1.00 0.00 H new ATOM 0 HA LYS A 161 6.682 8.321 -2.048 1.00 0.00 H new ATOM 0 HB2 LYS A 161 3.870 9.433 -2.507 1.00 0.00 H new ATOM 0 HB3 LYS A 161 5.309 10.104 -3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 161 4.740 7.127 -3.522 1.00 0.00 H new ATOM 0 HG3 LYS A 161 3.886 8.261 -4.549 1.00 0.00 H new ATOM 0 HD2 LYS A 161 6.151 9.239 -5.234 1.00 0.00 H new ATOM 0 HD3 LYS A 161 6.926 7.954 -4.328 1.00 0.00 H new ATOM 0 HE2 LYS A 161 6.735 7.282 -6.697 1.00 0.00 H new ATOM 0 HE3 LYS A 161 5.717 6.245 -5.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 4.771 7.391 -7.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 3.799 7.248 -6.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 4.557 8.725 -6.823 1.00 0.00 H new ATOM 451 N THR A 162 4.904 10.216 0.006 1.00 0.00 N ATOM 452 CA THR A 162 5.025 11.300 0.976 1.00 0.00 C ATOM 453 C THR A 162 5.996 10.915 2.089 1.00 0.00 C ATOM 454 O THR A 162 6.648 11.777 2.680 1.00 0.00 O ATOM 455 CB THR A 162 3.651 11.640 1.569 1.00 0.00 C ATOM 456 OG1 THR A 162 3.731 12.881 2.254 1.00 0.00 O ATOM 457 CG2 THR A 162 3.207 10.547 2.543 1.00 0.00 C ATOM 0 H THR A 162 3.967 9.821 -0.080 1.00 0.00 H new ATOM 0 HA THR A 162 5.414 12.180 0.463 1.00 0.00 H new ATOM 0 HB THR A 162 2.922 11.708 0.761 1.00 0.00 H new ATOM 0 HG1 THR A 162 2.855 13.103 2.633 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.231 10.802 2.956 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.141 9.595 2.016 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.933 10.464 3.352 1.00 0.00 H new ATOM 465 N LYS A 163 6.093 9.618 2.365 1.00 0.00 N ATOM 466 CA LYS A 163 6.992 9.137 3.406 1.00 0.00 C ATOM 467 C LYS A 163 8.432 9.146 2.903 1.00 0.00 C ATOM 468 O LYS A 163 8.683 9.072 1.701 1.00 0.00 O ATOM 469 CB LYS A 163 6.595 7.714 3.831 1.00 0.00 C ATOM 470 CG LYS A 163 5.415 7.772 4.816 1.00 0.00 C ATOM 471 CD LYS A 163 5.888 8.278 6.214 1.00 0.00 C ATOM 472 CE LYS A 163 5.131 9.556 6.607 1.00 0.00 C ATOM 473 NZ LYS A 163 3.676 9.252 6.725 1.00 0.00 N ATOM 0 H LYS A 163 5.565 8.888 1.887 1.00 0.00 H new ATOM 0 HA LYS A 163 6.915 9.799 4.268 1.00 0.00 H new ATOM 0 HB2 LYS A 163 6.320 7.127 2.955 1.00 0.00 H new ATOM 0 HB3 LYS A 163 7.444 7.214 4.296 1.00 0.00 H new ATOM 0 HG2 LYS A 163 4.642 8.434 4.426 1.00 0.00 H new ATOM 0 HG3 LYS A 163 4.968 6.783 4.914 1.00 0.00 H new ATOM 0 HD2 LYS A 163 5.721 7.504 6.963 1.00 0.00 H new ATOM 0 HD3 LYS A 163 6.960 8.475 6.193 1.00 0.00 H new ATOM 0 HE2 LYS A 163 5.511 9.941 7.553 1.00 0.00 H new ATOM 0 HE3 LYS A 163 5.292 10.332 5.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 3.230 9.936 7.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 3.230 9.318 5.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 3.552 8.290 7.101 1.00 0.00 H new ATOM 487 N LYS A 164 9.378 9.240 3.837 1.00 0.00 N ATOM 488 CA LYS A 164 10.799 9.264 3.490 1.00 0.00 C ATOM 489 C LYS A 164 11.608 8.458 4.502 1.00 0.00 C ATOM 490 O LYS A 164 11.142 8.188 5.608 1.00 0.00 O ATOM 491 CB LYS A 164 11.308 10.710 3.469 1.00 0.00 C ATOM 492 CG LYS A 164 10.911 11.439 4.775 1.00 0.00 C ATOM 493 CD LYS A 164 9.577 12.180 4.599 1.00 0.00 C ATOM 494 CE LYS A 164 9.281 12.999 5.857 1.00 0.00 C ATOM 495 NZ LYS A 164 8.023 13.771 5.662 1.00 0.00 N ATOM 0 H LYS A 164 9.187 9.301 4.837 1.00 0.00 H new ATOM 0 HA LYS A 164 10.921 8.820 2.502 1.00 0.00 H new ATOM 0 HB2 LYS A 164 12.392 10.719 3.355 1.00 0.00 H new ATOM 0 HB3 LYS A 164 10.892 11.237 2.610 1.00 0.00 H new ATOM 0 HG2 LYS A 164 10.828 10.719 5.589 1.00 0.00 H new ATOM 0 HG3 LYS A 164 11.692 12.147 5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 164 9.624 12.834 3.728 1.00 0.00 H new ATOM 0 HD3 LYS A 164 8.773 11.466 4.419 1.00 0.00 H new ATOM 0 HE2 LYS A 164 9.185 12.339 6.719 1.00 0.00 H new ATOM 0 HE3 LYS A 164 10.108 13.678 6.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 7.821 14.328 6.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 8.131 14.411 4.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 7.237 13.114 5.483 1.00 0.00 H new ATOM 509 N SER A 165 12.821 8.082 4.113 1.00 0.00 N ATOM 510 CA SER A 165 13.689 7.310 4.996 1.00 0.00 C ATOM 511 C SER A 165 14.319 8.218 6.047 1.00 0.00 C ATOM 512 O SER A 165 14.122 9.433 6.032 1.00 0.00 O ATOM 513 CB SER A 165 14.786 6.627 4.182 1.00 0.00 C ATOM 514 OG SER A 165 14.221 5.558 3.434 1.00 0.00 O ATOM 0 H SER A 165 13.224 8.296 3.201 1.00 0.00 H new ATOM 0 HA SER A 165 13.088 6.552 5.499 1.00 0.00 H new ATOM 0 HB2 SER A 165 15.258 7.345 3.512 1.00 0.00 H new ATOM 0 HB3 SER A 165 15.565 6.250 4.845 1.00 0.00 H new ATOM 0 HG SER A 165 13.245 5.646 3.424 1.00 0.00 H new ATOM 520 N LYS A 166 15.077 7.620 6.962 1.00 0.00 N ATOM 521 CA LYS A 166 15.729 8.386 8.016 1.00 0.00 C ATOM 522 C LYS A 166 16.579 9.503 7.418 1.00 0.00 C ATOM 523 O LYS A 166 16.737 10.566 8.018 1.00 0.00 O ATOM 524 CB LYS A 166 16.614 7.462 8.862 1.00 0.00 C ATOM 525 CG LYS A 166 17.075 8.186 10.141 1.00 0.00 C ATOM 526 CD LYS A 166 16.010 8.065 11.241 1.00 0.00 C ATOM 527 CE LYS A 166 16.564 8.632 12.550 1.00 0.00 C ATOM 528 NZ LYS A 166 15.510 8.573 13.600 1.00 0.00 N ATOM 0 H LYS A 166 15.253 6.616 6.994 1.00 0.00 H new ATOM 0 HA LYS A 166 14.960 8.830 8.648 1.00 0.00 H new ATOM 0 HB2 LYS A 166 16.062 6.560 9.126 1.00 0.00 H new ATOM 0 HB3 LYS A 166 17.481 7.147 8.282 1.00 0.00 H new ATOM 0 HG2 LYS A 166 18.016 7.759 10.489 1.00 0.00 H new ATOM 0 HG3 LYS A 166 17.263 9.237 9.923 1.00 0.00 H new ATOM 0 HD2 LYS A 166 15.109 8.605 10.951 1.00 0.00 H new ATOM 0 HD3 LYS A 166 15.727 7.021 11.375 1.00 0.00 H new ATOM 0 HE2 LYS A 166 17.438 8.062 12.865 1.00 0.00 H new ATOM 0 HE3 LYS A 166 16.890 9.662 12.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 15.885 8.958 14.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 14.688 9.135 13.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 15.220 7.585 13.745 1.00 0.00 H new ATOM 542 N GLY A 167 17.126 9.253 6.229 1.00 0.00 N ATOM 543 CA GLY A 167 17.962 10.242 5.550 1.00 0.00 C ATOM 544 C GLY A 167 17.127 11.116 4.620 1.00 0.00 C ATOM 545 O GLY A 167 17.614 11.584 3.592 1.00 0.00 O ATOM 0 H GLY A 167 17.006 8.378 5.718 1.00 0.00 H new ATOM 0 HA2 GLY A 167 18.465 10.867 6.288 1.00 0.00 H new ATOM 0 HA3 GLY A 167 18.740 9.735 4.978 1.00 0.00 H new ATOM 549 N ASN A 168 15.869 11.333 4.989 1.00 0.00 N ATOM 550 CA ASN A 168 14.976 12.153 4.175 1.00 0.00 C ATOM 551 C ASN A 168 15.065 11.747 2.709 1.00 0.00 C ATOM 552 O ASN A 168 15.126 12.596 1.819 1.00 0.00 O ATOM 553 CB ASN A 168 15.348 13.630 4.322 1.00 0.00 C ATOM 554 CG ASN A 168 15.268 14.045 5.786 1.00 0.00 C ATOM 555 OD1 ASN A 168 16.222 14.606 6.327 1.00 0.00 O ATOM 556 ND2 ASN A 168 14.180 13.803 6.465 1.00 0.00 N ATOM 0 H ASN A 168 15.447 10.957 5.838 1.00 0.00 H new ATOM 0 HA ASN A 168 13.954 11.999 4.521 1.00 0.00 H new ATOM 0 HB2 ASN A 168 16.356 13.799 3.942 1.00 0.00 H new ATOM 0 HB3 ASN A 168 14.675 14.244 3.724 1.00 0.00 H new ATOM 0 HD21 ASN A 168 14.119 14.078 7.445 1.00 0.00 H new ATOM 0 HD22 ASN A 168 13.391 13.338 6.015 1.00 0.00 H new ATOM 563 N LYS A 169 15.073 10.437 2.463 1.00 0.00 N ATOM 564 CA LYS A 169 15.154 9.912 1.098 1.00 0.00 C ATOM 565 C LYS A 169 13.748 9.654 0.548 1.00 0.00 C ATOM 566 O LYS A 169 12.755 10.080 1.138 1.00 0.00 O ATOM 567 CB LYS A 169 15.985 8.604 1.103 1.00 0.00 C ATOM 568 CG LYS A 169 16.938 8.557 -0.111 1.00 0.00 C ATOM 569 CD LYS A 169 18.214 9.371 0.180 1.00 0.00 C ATOM 570 CE LYS A 169 19.243 8.507 0.920 1.00 0.00 C ATOM 571 NZ LYS A 169 20.514 9.271 1.070 1.00 0.00 N ATOM 0 H LYS A 169 15.025 9.721 3.188 1.00 0.00 H new ATOM 0 HA LYS A 169 15.643 10.643 0.454 1.00 0.00 H new ATOM 0 HB2 LYS A 169 16.561 8.537 2.026 1.00 0.00 H new ATOM 0 HB3 LYS A 169 15.317 7.743 1.081 1.00 0.00 H new ATOM 0 HG2 LYS A 169 17.201 7.523 -0.336 1.00 0.00 H new ATOM 0 HG3 LYS A 169 16.436 8.957 -0.992 1.00 0.00 H new ATOM 0 HD2 LYS A 169 18.641 9.736 -0.754 1.00 0.00 H new ATOM 0 HD3 LYS A 169 17.966 10.246 0.780 1.00 0.00 H new ATOM 0 HE2 LYS A 169 18.859 8.223 1.900 1.00 0.00 H new ATOM 0 HE3 LYS A 169 19.423 7.584 0.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 21.213 8.687 1.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 20.882 9.521 0.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 20.335 10.139 1.613 1.00 0.00 H new ATOM 585 N ASP A 170 13.671 8.951 -0.584 1.00 0.00 N ATOM 586 CA ASP A 170 12.386 8.634 -1.212 1.00 0.00 C ATOM 587 C ASP A 170 12.233 7.124 -1.367 1.00 0.00 C ATOM 588 O ASP A 170 13.222 6.392 -1.389 1.00 0.00 O ATOM 589 CB ASP A 170 12.303 9.298 -2.588 1.00 0.00 C ATOM 590 CG ASP A 170 10.892 9.162 -3.150 1.00 0.00 C ATOM 591 OD1 ASP A 170 10.031 9.915 -2.726 1.00 0.00 O ATOM 592 OD2 ASP A 170 10.693 8.306 -3.997 1.00 0.00 O ATOM 0 H ASP A 170 14.483 8.590 -1.085 1.00 0.00 H new ATOM 0 HA ASP A 170 11.584 9.011 -0.577 1.00 0.00 H new ATOM 0 HB2 ASP A 170 12.572 10.351 -2.509 1.00 0.00 H new ATOM 0 HB3 ASP A 170 13.020 8.836 -3.267 1.00 0.00 H new ATOM 597 N MET A 171 10.986 6.663 -1.474 1.00 0.00 N ATOM 598 CA MET A 171 10.716 5.234 -1.625 1.00 0.00 C ATOM 599 C MET A 171 9.455 5.006 -2.453 1.00 0.00 C ATOM 600 O MET A 171 8.446 5.684 -2.266 1.00 0.00 O ATOM 601 CB MET A 171 10.533 4.586 -0.249 1.00 0.00 C ATOM 602 CG MET A 171 11.760 4.866 0.623 1.00 0.00 C ATOM 603 SD MET A 171 11.688 3.846 2.119 1.00 0.00 S ATOM 604 CE MET A 171 11.903 2.227 1.331 1.00 0.00 C ATOM 0 H MET A 171 10.154 7.253 -1.459 1.00 0.00 H new ATOM 0 HA MET A 171 11.566 4.782 -2.137 1.00 0.00 H new ATOM 0 HB2 MET A 171 9.637 4.978 0.232 1.00 0.00 H new ATOM 0 HB3 MET A 171 10.391 3.511 -0.359 1.00 0.00 H new ATOM 0 HG2 MET A 171 12.672 4.649 0.066 1.00 0.00 H new ATOM 0 HG3 MET A 171 11.794 5.922 0.892 1.00 0.00 H new ATOM 0 HE1 MET A 171 12.205 1.495 2.080 1.00 0.00 H new ATOM 0 HE2 MET A 171 10.962 1.915 0.878 1.00 0.00 H new ATOM 0 HE3 MET A 171 12.671 2.296 0.561 1.00 0.00 H new ATOM 614 N ILE A 172 9.520 4.034 -3.361 1.00 0.00 N ATOM 615 CA ILE A 172 8.378 3.700 -4.209 1.00 0.00 C ATOM 616 C ILE A 172 7.546 2.614 -3.541 1.00 0.00 C ATOM 617 O ILE A 172 7.797 2.257 -2.394 1.00 0.00 O ATOM 618 CB ILE A 172 8.860 3.217 -5.587 1.00 0.00 C ATOM 619 CG1 ILE A 172 9.663 1.910 -5.457 1.00 0.00 C ATOM 620 CG2 ILE A 172 9.759 4.287 -6.210 1.00 0.00 C ATOM 621 CD1 ILE A 172 9.952 1.350 -6.853 1.00 0.00 C ATOM 0 H ILE A 172 10.350 3.465 -3.528 1.00 0.00 H new ATOM 0 HA ILE A 172 7.766 4.591 -4.346 1.00 0.00 H new ATOM 0 HB ILE A 172 7.988 3.037 -6.216 1.00 0.00 H new ATOM 0 HG12 ILE A 172 10.597 2.095 -4.927 1.00 0.00 H new ATOM 0 HG13 ILE A 172 9.102 1.183 -4.870 1.00 0.00 H new ATOM 0 HG21 ILE A 172 10.103 3.949 -7.187 1.00 0.00 H new ATOM 0 HG22 ILE A 172 9.196 5.214 -6.324 1.00 0.00 H new ATOM 0 HG23 ILE A 172 10.619 4.462 -5.563 1.00 0.00 H new ATOM 0 HD11 ILE A 172 10.521 0.424 -6.763 1.00 0.00 H new ATOM 0 HD12 ILE A 172 9.012 1.150 -7.367 1.00 0.00 H new ATOM 0 HD13 ILE A 172 10.530 2.077 -7.424 1.00 0.00 H new ATOM 633 N VAL A 173 6.573 2.072 -4.273 1.00 0.00 N ATOM 634 CA VAL A 173 5.725 0.996 -3.752 1.00 0.00 C ATOM 635 C VAL A 173 5.989 -0.282 -4.540 1.00 0.00 C ATOM 636 O VAL A 173 5.626 -0.395 -5.710 1.00 0.00 O ATOM 637 CB VAL A 173 4.243 1.388 -3.848 1.00 0.00 C ATOM 638 CG1 VAL A 173 3.364 0.171 -3.534 1.00 0.00 C ATOM 639 CG2 VAL A 173 3.939 2.510 -2.841 1.00 0.00 C ATOM 0 H VAL A 173 6.351 2.358 -5.227 1.00 0.00 H new ATOM 0 HA VAL A 173 5.964 0.826 -2.702 1.00 0.00 H new ATOM 0 HB VAL A 173 4.030 1.738 -4.858 1.00 0.00 H new ATOM 0 HG11 VAL A 173 2.313 0.453 -3.603 1.00 0.00 H new ATOM 0 HG12 VAL A 173 3.574 -0.624 -4.250 1.00 0.00 H new ATOM 0 HG13 VAL A 173 3.579 -0.183 -2.526 1.00 0.00 H new ATOM 0 HG21 VAL A 173 2.887 2.786 -2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 173 4.156 2.161 -1.831 1.00 0.00 H new ATOM 0 HG23 VAL A 173 4.558 3.378 -3.066 1.00 0.00 H new ATOM 649 N ARG A 174 6.642 -1.234 -3.882 1.00 0.00 N ATOM 650 CA ARG A 174 6.982 -2.502 -4.512 1.00 0.00 C ATOM 651 C ARG A 174 5.748 -3.406 -4.616 1.00 0.00 C ATOM 652 O ARG A 174 5.384 -3.845 -5.707 1.00 0.00 O ATOM 653 CB ARG A 174 8.112 -3.174 -3.699 1.00 0.00 C ATOM 654 CG ARG A 174 8.045 -4.707 -3.801 1.00 0.00 C ATOM 655 CD ARG A 174 9.392 -5.312 -3.398 1.00 0.00 C ATOM 656 NE ARG A 174 9.300 -6.766 -3.351 1.00 0.00 N ATOM 657 CZ ARG A 174 10.313 -7.506 -2.914 1.00 0.00 C ATOM 658 NH1 ARG A 174 11.414 -6.933 -2.513 1.00 0.00 N ATOM 659 NH2 ARG A 174 10.205 -8.807 -2.883 1.00 0.00 N ATOM 0 H ARG A 174 6.946 -1.150 -2.912 1.00 0.00 H new ATOM 0 HA ARG A 174 7.333 -2.327 -5.529 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.079 -2.826 -4.062 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.037 -2.874 -2.654 1.00 0.00 H new ATOM 0 HG2 ARG A 174 7.256 -5.090 -3.154 1.00 0.00 H new ATOM 0 HG3 ARG A 174 7.793 -5.002 -4.820 1.00 0.00 H new ATOM 0 HD2 ARG A 174 10.161 -5.012 -4.110 1.00 0.00 H new ATOM 0 HD3 ARG A 174 9.694 -4.928 -2.423 1.00 0.00 H new ATOM 0 HE ARG A 174 8.442 -7.224 -3.659 1.00 0.00 H new ATOM 0 HH11 ARG A 174 11.497 -5.917 -2.535 1.00 0.00 H new ATOM 0 HH12 ARG A 174 12.192 -7.501 -2.177 1.00 0.00 H new ATOM 0 HH21 ARG A 174 9.343 -9.255 -3.194 1.00 0.00 H new ATOM 0 HH22 ARG A 174 10.983 -9.375 -2.548 1.00 0.00 H new ATOM 673 N SER A 175 5.117 -3.690 -3.476 1.00 0.00 N ATOM 674 CA SER A 175 3.930 -4.557 -3.450 1.00 0.00 C ATOM 675 C SER A 175 2.699 -3.778 -2.997 1.00 0.00 C ATOM 676 O SER A 175 2.812 -2.679 -2.457 1.00 0.00 O ATOM 677 CB SER A 175 4.167 -5.732 -2.499 1.00 0.00 C ATOM 678 OG SER A 175 3.241 -6.768 -2.795 1.00 0.00 O ATOM 0 H SER A 175 5.402 -3.337 -2.563 1.00 0.00 H new ATOM 0 HA SER A 175 3.756 -4.930 -4.459 1.00 0.00 H new ATOM 0 HB2 SER A 175 5.188 -6.100 -2.604 1.00 0.00 H new ATOM 0 HB3 SER A 175 4.050 -5.408 -1.465 1.00 0.00 H new ATOM 0 HG SER A 175 3.391 -7.523 -2.189 1.00 0.00 H new ATOM 684 N PHE A 176 1.524 -4.360 -3.221 1.00 0.00 N ATOM 685 CA PHE A 176 0.281 -3.710 -2.827 1.00 0.00 C ATOM 686 C PHE A 176 -0.895 -4.686 -2.931 1.00 0.00 C ATOM 687 O PHE A 176 -1.063 -5.378 -3.935 1.00 0.00 O ATOM 688 CB PHE A 176 0.056 -2.464 -3.706 1.00 0.00 C ATOM 689 CG PHE A 176 -1.409 -2.069 -3.729 1.00 0.00 C ATOM 690 CD1 PHE A 176 -1.935 -1.276 -2.707 1.00 0.00 C ATOM 691 CD2 PHE A 176 -2.237 -2.500 -4.771 1.00 0.00 C ATOM 692 CE1 PHE A 176 -3.280 -0.918 -2.718 1.00 0.00 C ATOM 693 CE2 PHE A 176 -3.589 -2.136 -4.785 1.00 0.00 C ATOM 694 CZ PHE A 176 -4.111 -1.345 -3.755 1.00 0.00 C ATOM 0 H PHE A 176 1.408 -5.270 -3.668 1.00 0.00 H new ATOM 0 HA PHE A 176 0.350 -3.395 -1.786 1.00 0.00 H new ATOM 0 HB2 PHE A 176 0.653 -1.635 -3.327 1.00 0.00 H new ATOM 0 HB3 PHE A 176 0.398 -2.665 -4.721 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.295 -0.939 -1.905 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -1.834 -3.113 -5.564 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -3.682 -0.308 -1.922 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -4.229 -2.465 -5.590 1.00 0.00 H new ATOM 0 HZ PHE A 176 -5.154 -1.066 -3.763 1.00 0.00 H new ATOM 704 N ALA A 177 -1.701 -4.724 -1.875 1.00 0.00 N ATOM 705 CA ALA A 177 -2.871 -5.602 -1.823 1.00 0.00 C ATOM 706 C ALA A 177 -3.763 -5.193 -0.658 1.00 0.00 C ATOM 707 O ALA A 177 -3.262 -4.832 0.399 1.00 0.00 O ATOM 708 CB ALA A 177 -2.425 -7.054 -1.639 1.00 0.00 C ATOM 0 H ALA A 177 -1.567 -4.155 -1.039 1.00 0.00 H new ATOM 0 HA ALA A 177 -3.426 -5.513 -2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -3.301 -7.702 -1.601 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.792 -7.349 -2.476 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -1.864 -7.147 -0.709 1.00 0.00 H new ATOM 714 N VAL A 178 -5.082 -5.243 -0.846 1.00 0.00 N ATOM 715 CA VAL A 178 -5.995 -4.845 0.226 1.00 0.00 C ATOM 716 C VAL A 178 -5.934 -5.833 1.387 1.00 0.00 C ATOM 717 O VAL A 178 -5.406 -6.937 1.248 1.00 0.00 O ATOM 718 CB VAL A 178 -7.432 -4.724 -0.293 1.00 0.00 C ATOM 719 CG1 VAL A 178 -7.525 -3.541 -1.263 1.00 0.00 C ATOM 720 CG2 VAL A 178 -7.847 -6.016 -1.013 1.00 0.00 C ATOM 0 H VAL A 178 -5.534 -5.547 -1.708 1.00 0.00 H new ATOM 0 HA VAL A 178 -5.677 -3.867 0.587 1.00 0.00 H new ATOM 0 HB VAL A 178 -8.103 -4.560 0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 178 -8.546 -3.453 -1.633 1.00 0.00 H new ATOM 0 HG12 VAL A 178 -7.247 -2.623 -0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 178 -6.848 -3.704 -2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 178 -8.870 -5.917 -1.377 1.00 0.00 H new ATOM 0 HG22 VAL A 178 -7.178 -6.194 -1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 178 -7.788 -6.854 -0.319 1.00 0.00 H new ATOM 730 N LEU A 179 -6.447 -5.413 2.549 1.00 0.00 N ATOM 731 CA LEU A 179 -6.414 -6.250 3.754 1.00 0.00 C ATOM 732 C LEU A 179 -7.810 -6.710 4.175 1.00 0.00 C ATOM 733 O LEU A 179 -8.341 -7.690 3.653 1.00 0.00 O ATOM 734 CB LEU A 179 -5.787 -5.461 4.918 1.00 0.00 C ATOM 735 CG LEU A 179 -4.260 -5.349 4.756 1.00 0.00 C ATOM 736 CD1 LEU A 179 -3.679 -4.435 5.875 1.00 0.00 C ATOM 737 CD2 LEU A 179 -3.615 -6.761 4.811 1.00 0.00 C ATOM 0 H LEU A 179 -6.888 -4.503 2.681 1.00 0.00 H new ATOM 0 HA LEU A 179 -5.818 -7.132 3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 179 -6.225 -4.464 4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 179 -6.020 -5.954 5.862 1.00 0.00 H new ATOM 0 HG LEU A 179 -4.031 -4.904 3.788 1.00 0.00 H new ATOM 0 HD11 LEU A 179 -2.598 -4.358 5.757 1.00 0.00 H new ATOM 0 HD12 LEU A 179 -4.124 -3.443 5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 179 -3.908 -4.864 6.851 1.00 0.00 H new ATOM 0 HD21 LEU A 179 -2.535 -6.672 4.696 1.00 0.00 H new ATOM 0 HD22 LEU A 179 -3.840 -7.227 5.770 1.00 0.00 H new ATOM 0 HD23 LEU A 179 -4.017 -7.376 4.006 1.00 0.00 H new ATOM 749 N GLU A 180 -8.372 -6.012 5.159 1.00 0.00 N ATOM 750 CA GLU A 180 -9.682 -6.368 5.698 1.00 0.00 C ATOM 751 C GLU A 180 -10.806 -6.037 4.712 1.00 0.00 C ATOM 752 O GLU A 180 -10.724 -5.047 3.986 1.00 0.00 O ATOM 753 CB GLU A 180 -9.918 -5.614 7.007 1.00 0.00 C ATOM 754 CG GLU A 180 -9.006 -6.178 8.097 1.00 0.00 C ATOM 755 CD GLU A 180 -9.009 -5.253 9.309 1.00 0.00 C ATOM 756 OE1 GLU A 180 -10.071 -4.759 9.649 1.00 0.00 O ATOM 757 OE2 GLU A 180 -7.948 -5.051 9.878 1.00 0.00 O ATOM 0 H GLU A 180 -7.942 -5.198 5.599 1.00 0.00 H new ATOM 0 HA GLU A 180 -9.692 -7.444 5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -9.720 -4.551 6.867 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -10.961 -5.706 7.308 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -9.345 -7.173 8.387 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -7.991 -6.286 7.714 1.00 0.00 H new ATOM 764 N PRO A 181 -11.860 -6.831 4.675 1.00 0.00 N ATOM 765 CA PRO A 181 -13.016 -6.590 3.763 1.00 0.00 C ATOM 766 C PRO A 181 -13.978 -5.520 4.293 1.00 0.00 C ATOM 767 O PRO A 181 -14.184 -5.387 5.499 1.00 0.00 O ATOM 768 CB PRO A 181 -13.703 -7.956 3.718 1.00 0.00 C ATOM 769 CG PRO A 181 -13.478 -8.516 5.081 1.00 0.00 C ATOM 770 CD PRO A 181 -12.074 -8.053 5.486 1.00 0.00 C ATOM 0 HA PRO A 181 -12.699 -6.216 2.790 1.00 0.00 H new ATOM 0 HB2 PRO A 181 -14.766 -7.861 3.495 1.00 0.00 H new ATOM 0 HB3 PRO A 181 -13.272 -8.595 2.947 1.00 0.00 H new ATOM 0 HG2 PRO A 181 -14.229 -8.154 5.783 1.00 0.00 H new ATOM 0 HG3 PRO A 181 -13.546 -9.604 5.075 1.00 0.00 H new ATOM 0 HD2 PRO A 181 -12.015 -7.841 6.553 1.00 0.00 H new ATOM 0 HD3 PRO A 181 -11.324 -8.814 5.270 1.00 0.00 H new ATOM 778 N CYS A 182 -14.564 -4.781 3.361 1.00 0.00 N ATOM 779 CA CYS A 182 -15.527 -3.717 3.666 1.00 0.00 C ATOM 780 C CYS A 182 -16.720 -3.867 2.723 1.00 0.00 C ATOM 781 O CYS A 182 -16.843 -4.888 2.047 1.00 0.00 O ATOM 782 CB CYS A 182 -14.874 -2.342 3.501 1.00 0.00 C ATOM 783 SG CYS A 182 -15.690 -1.105 4.538 1.00 0.00 S ATOM 0 H CYS A 182 -14.387 -4.899 2.363 1.00 0.00 H new ATOM 0 HA CYS A 182 -15.862 -3.800 4.700 1.00 0.00 H new ATOM 0 HB2 CYS A 182 -13.818 -2.403 3.765 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -14.924 -2.035 2.456 1.00 0.00 H new ATOM 788 N ALA A 183 -17.602 -2.869 2.702 1.00 0.00 N ATOM 789 CA ALA A 183 -18.794 -2.912 1.845 1.00 0.00 C ATOM 790 C ALA A 183 -18.516 -3.619 0.512 1.00 0.00 C ATOM 791 O ALA A 183 -17.364 -3.783 0.113 1.00 0.00 O ATOM 792 CB ALA A 183 -19.280 -1.489 1.568 1.00 0.00 C ATOM 0 H ALA A 183 -17.518 -2.022 3.265 1.00 0.00 H new ATOM 0 HA ALA A 183 -19.560 -3.479 2.374 1.00 0.00 H new ATOM 0 HB1 ALA A 183 -20.164 -1.524 0.932 1.00 0.00 H new ATOM 0 HB2 ALA A 183 -19.529 -1.000 2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 183 -18.493 -0.927 1.065 1.00 0.00 H new ATOM 798 N LEU A 184 -19.599 -4.041 -0.151 1.00 0.00 N ATOM 799 CA LEU A 184 -19.540 -4.766 -1.436 1.00 0.00 C ATOM 800 C LEU A 184 -18.171 -4.666 -2.124 1.00 0.00 C ATOM 801 O LEU A 184 -17.466 -5.666 -2.250 1.00 0.00 O ATOM 802 CB LEU A 184 -20.633 -4.218 -2.370 1.00 0.00 C ATOM 803 CG LEU A 184 -21.100 -5.289 -3.378 1.00 0.00 C ATOM 804 CD1 LEU A 184 -19.897 -5.852 -4.142 1.00 0.00 C ATOM 805 CD2 LEU A 184 -21.846 -6.434 -2.655 1.00 0.00 C ATOM 0 H LEU A 184 -20.550 -3.891 0.187 1.00 0.00 H new ATOM 0 HA LEU A 184 -19.704 -5.822 -1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -21.483 -3.878 -1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -20.252 -3.350 -2.909 1.00 0.00 H new ATOM 0 HG LEU A 184 -21.786 -4.820 -4.083 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -20.237 -6.607 -4.851 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -19.399 -5.046 -4.681 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -19.198 -6.304 -3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -22.166 -7.178 -3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -21.180 -6.901 -1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -22.719 -6.032 -2.140 1.00 0.00 H new ATOM 817 N ASP A 185 -17.807 -3.465 -2.574 1.00 0.00 N ATOM 818 CA ASP A 185 -16.520 -3.259 -3.258 1.00 0.00 C ATOM 819 C ASP A 185 -15.671 -2.249 -2.500 1.00 0.00 C ATOM 820 O ASP A 185 -15.447 -1.136 -2.973 1.00 0.00 O ATOM 821 CB ASP A 185 -16.766 -2.749 -4.679 1.00 0.00 C ATOM 822 CG ASP A 185 -15.450 -2.694 -5.448 1.00 0.00 C ATOM 823 OD1 ASP A 185 -15.043 -3.724 -5.960 1.00 0.00 O ATOM 824 OD2 ASP A 185 -14.870 -1.623 -5.513 1.00 0.00 O ATOM 0 H ASP A 185 -18.376 -2.624 -2.481 1.00 0.00 H new ATOM 0 HA ASP A 185 -15.990 -4.211 -3.296 1.00 0.00 H new ATOM 0 HB2 ASP A 185 -17.470 -3.404 -5.193 1.00 0.00 H new ATOM 0 HB3 ASP A 185 -17.219 -1.758 -4.645 1.00 0.00 H new ATOM 829 N MET A 186 -15.208 -2.644 -1.317 1.00 0.00 N ATOM 830 CA MET A 186 -14.395 -1.764 -0.487 1.00 0.00 C ATOM 831 C MET A 186 -13.579 -2.566 0.525 1.00 0.00 C ATOM 832 O MET A 186 -13.879 -3.729 0.793 1.00 0.00 O ATOM 833 CB MET A 186 -15.298 -0.757 0.244 1.00 0.00 C ATOM 834 CG MET A 186 -15.839 0.295 -0.732 1.00 0.00 C ATOM 835 SD MET A 186 -16.371 1.751 0.204 1.00 0.00 S ATOM 836 CE MET A 186 -15.982 2.994 -1.053 1.00 0.00 C ATOM 0 H MET A 186 -15.382 -3.565 -0.914 1.00 0.00 H new ATOM 0 HA MET A 186 -13.701 -1.226 -1.133 1.00 0.00 H new ATOM 0 HB2 MET A 186 -16.128 -1.282 0.717 1.00 0.00 H new ATOM 0 HB3 MET A 186 -14.736 -0.267 1.039 1.00 0.00 H new ATOM 0 HG2 MET A 186 -15.069 0.571 -1.452 1.00 0.00 H new ATOM 0 HG3 MET A 186 -16.675 -0.113 -1.300 1.00 0.00 H new ATOM 0 HE1 MET A 186 -16.119 3.991 -0.634 1.00 0.00 H new ATOM 0 HE2 MET A 186 -14.947 2.875 -1.375 1.00 0.00 H new ATOM 0 HE3 MET A 186 -16.645 2.866 -1.909 1.00 0.00 H new ATOM 846 N PHE A 187 -12.544 -1.932 1.088 1.00 0.00 N ATOM 847 CA PHE A 187 -11.680 -2.586 2.081 1.00 0.00 C ATOM 848 C PHE A 187 -11.431 -1.666 3.278 1.00 0.00 C ATOM 849 O PHE A 187 -11.134 -0.483 3.113 1.00 0.00 O ATOM 850 CB PHE A 187 -10.361 -2.963 1.418 1.00 0.00 C ATOM 851 CG PHE A 187 -10.670 -3.906 0.290 1.00 0.00 C ATOM 852 CD1 PHE A 187 -10.767 -5.279 0.534 1.00 0.00 C ATOM 853 CD2 PHE A 187 -10.893 -3.405 -0.998 1.00 0.00 C ATOM 854 CE1 PHE A 187 -11.083 -6.155 -0.508 1.00 0.00 C ATOM 855 CE2 PHE A 187 -11.212 -4.278 -2.041 1.00 0.00 C ATOM 856 CZ PHE A 187 -11.307 -5.655 -1.797 1.00 0.00 C ATOM 0 H PHE A 187 -12.284 -0.969 0.874 1.00 0.00 H new ATOM 0 HA PHE A 187 -12.175 -3.484 2.450 1.00 0.00 H new ATOM 0 HB2 PHE A 187 -9.853 -2.074 1.045 1.00 0.00 H new ATOM 0 HB3 PHE A 187 -9.692 -3.434 2.138 1.00 0.00 H new ATOM 0 HD1 PHE A 187 -10.598 -5.663 1.529 1.00 0.00 H new ATOM 0 HD2 PHE A 187 -10.818 -2.344 -1.185 1.00 0.00 H new ATOM 0 HE1 PHE A 187 -11.154 -7.216 -0.320 1.00 0.00 H new ATOM 0 HE2 PHE A 187 -11.385 -3.892 -3.035 1.00 0.00 H new ATOM 0 HZ PHE A 187 -11.553 -6.330 -2.603 1.00 0.00 H new ATOM 866 N THR A 188 -11.582 -2.218 4.486 1.00 0.00 N ATOM 867 CA THR A 188 -11.399 -1.437 5.710 1.00 0.00 C ATOM 868 C THR A 188 -9.936 -1.029 5.891 1.00 0.00 C ATOM 869 O THR A 188 -9.631 -0.118 6.660 1.00 0.00 O ATOM 870 CB THR A 188 -11.868 -2.229 6.958 1.00 0.00 C ATOM 871 OG1 THR A 188 -10.739 -2.654 7.711 1.00 0.00 O ATOM 872 CG2 THR A 188 -12.683 -3.459 6.547 1.00 0.00 C ATOM 0 H THR A 188 -11.829 -3.196 4.641 1.00 0.00 H new ATOM 0 HA THR A 188 -12.009 -0.540 5.610 1.00 0.00 H new ATOM 0 HB THR A 188 -12.495 -1.572 7.562 1.00 0.00 H new ATOM 0 HG1 THR A 188 -10.982 -3.434 8.253 1.00 0.00 H new ATOM 0 HG21 THR A 188 -13.001 -3.999 7.439 1.00 0.00 H new ATOM 0 HG22 THR A 188 -13.560 -3.142 5.982 1.00 0.00 H new ATOM 0 HG23 THR A 188 -12.069 -4.112 5.927 1.00 0.00 H new ATOM 880 N GLY A 189 -9.037 -1.712 5.193 1.00 0.00 N ATOM 881 CA GLY A 189 -7.615 -1.411 5.307 1.00 0.00 C ATOM 882 C GLY A 189 -6.833 -2.018 4.155 1.00 0.00 C ATOM 883 O GLY A 189 -7.329 -2.902 3.457 1.00 0.00 O ATOM 0 H GLY A 189 -9.263 -2.470 4.549 1.00 0.00 H new ATOM 0 HA2 GLY A 189 -7.469 -0.331 5.321 1.00 0.00 H new ATOM 0 HA3 GLY A 189 -7.233 -1.796 6.253 1.00 0.00 H new ATOM 887 N VAL A 190 -5.606 -1.536 3.951 1.00 0.00 N ATOM 888 CA VAL A 190 -4.769 -2.046 2.864 1.00 0.00 C ATOM 889 C VAL A 190 -3.299 -2.131 3.269 1.00 0.00 C ATOM 890 O VAL A 190 -2.791 -1.280 3.999 1.00 0.00 O ATOM 891 CB VAL A 190 -4.922 -1.143 1.624 1.00 0.00 C ATOM 892 CG1 VAL A 190 -4.482 0.286 1.971 1.00 0.00 C ATOM 893 CG2 VAL A 190 -4.074 -1.681 0.442 1.00 0.00 C ATOM 0 H VAL A 190 -5.174 -0.804 4.515 1.00 0.00 H new ATOM 0 HA VAL A 190 -5.104 -3.056 2.630 1.00 0.00 H new ATOM 0 HB VAL A 190 -5.969 -1.141 1.323 1.00 0.00 H new ATOM 0 HG11 VAL A 190 -4.591 0.923 1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 190 -5.103 0.672 2.779 1.00 0.00 H new ATOM 0 HG13 VAL A 190 -3.439 0.279 2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 190 -4.198 -1.028 -0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 190 -3.023 -1.706 0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 190 -4.404 -2.688 0.186 1.00 0.00 H new ATOM 903 N GLU A 191 -2.619 -3.167 2.772 1.00 0.00 N ATOM 904 CA GLU A 191 -1.196 -3.372 3.057 1.00 0.00 C ATOM 905 C GLU A 191 -0.371 -3.160 1.793 1.00 0.00 C ATOM 906 O GLU A 191 -0.779 -3.561 0.702 1.00 0.00 O ATOM 907 CB GLU A 191 -0.973 -4.788 3.608 1.00 0.00 C ATOM 908 CG GLU A 191 -1.225 -5.858 2.536 1.00 0.00 C ATOM 909 CD GLU A 191 -0.923 -7.239 3.109 1.00 0.00 C ATOM 910 OE1 GLU A 191 -0.052 -7.328 3.960 1.00 0.00 O ATOM 911 OE2 GLU A 191 -1.567 -8.187 2.690 1.00 0.00 O ATOM 0 H GLU A 191 -3.032 -3.879 2.169 1.00 0.00 H new ATOM 0 HA GLU A 191 -0.876 -2.648 3.806 1.00 0.00 H new ATOM 0 HB2 GLU A 191 0.048 -4.878 3.980 1.00 0.00 H new ATOM 0 HB3 GLU A 191 -1.637 -4.958 4.456 1.00 0.00 H new ATOM 0 HG2 GLU A 191 -2.260 -5.812 2.198 1.00 0.00 H new ATOM 0 HG3 GLU A 191 -0.597 -5.669 1.665 1.00 0.00 H new ATOM 918 N PHE A 192 0.793 -2.534 1.941 1.00 0.00 N ATOM 919 CA PHE A 192 1.665 -2.286 0.794 1.00 0.00 C ATOM 920 C PHE A 192 3.121 -2.192 1.227 1.00 0.00 C ATOM 921 O PHE A 192 3.430 -1.709 2.316 1.00 0.00 O ATOM 922 CB PHE A 192 1.256 -1.002 0.067 1.00 0.00 C ATOM 923 CG PHE A 192 1.136 0.153 1.039 1.00 0.00 C ATOM 924 CD1 PHE A 192 0.060 0.209 1.933 1.00 0.00 C ATOM 925 CD2 PHE A 192 2.091 1.179 1.029 1.00 0.00 C ATOM 926 CE1 PHE A 192 -0.059 1.285 2.820 1.00 0.00 C ATOM 927 CE2 PHE A 192 1.970 2.257 1.914 1.00 0.00 C ATOM 928 CZ PHE A 192 0.896 2.308 2.809 1.00 0.00 C ATOM 0 H PHE A 192 1.153 -2.192 2.832 1.00 0.00 H new ATOM 0 HA PHE A 192 1.558 -3.128 0.110 1.00 0.00 H new ATOM 0 HB2 PHE A 192 1.993 -0.763 -0.700 1.00 0.00 H new ATOM 0 HB3 PHE A 192 0.304 -1.155 -0.442 1.00 0.00 H new ATOM 0 HD1 PHE A 192 -0.679 -0.579 1.938 1.00 0.00 H new ATOM 0 HD2 PHE A 192 2.920 1.138 0.338 1.00 0.00 H new ATOM 0 HE1 PHE A 192 -0.887 1.326 3.512 1.00 0.00 H new ATOM 0 HE2 PHE A 192 2.705 3.048 1.906 1.00 0.00 H new ATOM 0 HZ PHE A 192 0.804 3.139 3.493 1.00 0.00 H new ATOM 938 N VAL A 193 4.014 -2.663 0.358 1.00 0.00 N ATOM 939 CA VAL A 193 5.453 -2.638 0.645 1.00 0.00 C ATOM 940 C VAL A 193 6.123 -1.476 -0.074 1.00 0.00 C ATOM 941 O VAL A 193 5.692 -1.069 -1.153 1.00 0.00 O ATOM 942 CB VAL A 193 6.102 -3.951 0.194 1.00 0.00 C ATOM 943 CG1 VAL A 193 7.621 -3.873 0.392 1.00 0.00 C ATOM 944 CG2 VAL A 193 5.541 -5.109 1.021 1.00 0.00 C ATOM 0 H VAL A 193 3.771 -3.065 -0.547 1.00 0.00 H new ATOM 0 HA VAL A 193 5.584 -2.515 1.720 1.00 0.00 H new ATOM 0 HB VAL A 193 5.883 -4.116 -0.861 1.00 0.00 H new ATOM 0 HG11 VAL A 193 8.078 -4.809 0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 193 8.023 -3.050 -0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 193 7.842 -3.705 1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 193 6.003 -6.043 0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 193 5.758 -4.941 2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 193 4.462 -5.170 0.877 1.00 0.00 H new ATOM 954 N CYS A 194 7.186 -0.949 0.531 1.00 0.00 N ATOM 955 CA CYS A 194 7.932 0.168 -0.051 1.00 0.00 C ATOM 956 C CYS A 194 9.373 -0.247 -0.329 1.00 0.00 C ATOM 957 O CYS A 194 9.908 -1.130 0.336 1.00 0.00 O ATOM 958 CB CYS A 194 7.925 1.357 0.912 1.00 0.00 C ATOM 959 SG CYS A 194 6.296 2.144 0.888 1.00 0.00 S ATOM 0 H CYS A 194 7.551 -1.277 1.425 1.00 0.00 H new ATOM 0 HA CYS A 194 7.454 0.454 -0.988 1.00 0.00 H new ATOM 0 HB2 CYS A 194 8.164 1.022 1.921 1.00 0.00 H new ATOM 0 HB3 CYS A 194 8.692 2.076 0.624 1.00 0.00 H new ATOM 964 N CYS A 195 9.999 0.397 -1.317 1.00 0.00 N ATOM 965 CA CYS A 195 11.387 0.082 -1.673 1.00 0.00 C ATOM 966 C CYS A 195 12.155 1.364 -2.037 1.00 0.00 C ATOM 967 O CYS A 195 11.579 2.283 -2.618 1.00 0.00 O ATOM 968 CB CYS A 195 11.399 -0.892 -2.853 1.00 0.00 C ATOM 969 SG CYS A 195 11.021 -2.560 -2.251 1.00 0.00 S ATOM 0 H CYS A 195 9.573 1.133 -1.881 1.00 0.00 H new ATOM 0 HA CYS A 195 11.878 -0.379 -0.816 1.00 0.00 H new ATOM 0 HB2 CYS A 195 10.666 -0.587 -3.600 1.00 0.00 H new ATOM 0 HB3 CYS A 195 12.374 -0.880 -3.340 1.00 0.00 H new ATOM 974 N PRO A 196 13.430 1.455 -1.709 1.00 0.00 N ATOM 975 CA PRO A 196 14.255 2.668 -2.015 1.00 0.00 C ATOM 976 C PRO A 196 14.640 2.756 -3.492 1.00 0.00 C ATOM 977 O PRO A 196 15.428 3.615 -3.886 1.00 0.00 O ATOM 978 CB PRO A 196 15.496 2.478 -1.134 1.00 0.00 C ATOM 979 CG PRO A 196 15.656 0.997 -1.041 1.00 0.00 C ATOM 980 CD PRO A 196 14.236 0.427 -1.013 1.00 0.00 C ATOM 0 HA PRO A 196 13.715 3.594 -1.817 1.00 0.00 H new ATOM 0 HB2 PRO A 196 16.375 2.946 -1.577 1.00 0.00 H new ATOM 0 HB3 PRO A 196 15.358 2.926 -0.150 1.00 0.00 H new ATOM 0 HG2 PRO A 196 16.216 0.610 -1.892 1.00 0.00 H new ATOM 0 HG3 PRO A 196 16.207 0.719 -0.143 1.00 0.00 H new ATOM 0 HD2 PRO A 196 14.181 -0.536 -1.521 1.00 0.00 H new ATOM 0 HD3 PRO A 196 13.888 0.269 0.008 1.00 0.00 H new ATOM 988 N ASN A 197 14.084 1.864 -4.302 1.00 0.00 N ATOM 989 CA ASN A 197 14.380 1.855 -5.729 1.00 0.00 C ATOM 990 C ASN A 197 14.295 3.269 -6.299 1.00 0.00 C ATOM 991 O ASN A 197 15.337 3.866 -6.509 1.00 0.00 O ATOM 992 CB ASN A 197 13.387 0.941 -6.453 1.00 0.00 C ATOM 993 CG ASN A 197 13.777 -0.522 -6.273 1.00 0.00 C ATOM 994 OD1 ASN A 197 14.884 -0.823 -5.830 1.00 0.00 O ATOM 995 ND2 ASN A 197 12.923 -1.452 -6.597 1.00 0.00 N ATOM 996 OXT ASN A 197 13.186 3.732 -6.517 1.00 0.00 O ATOM 0 H ASN A 197 13.430 1.142 -3.998 1.00 0.00 H new ATOM 0 HA ASN A 197 15.393 1.480 -5.878 1.00 0.00 H new ATOM 0 HB2 ASN A 197 12.382 1.106 -6.064 1.00 0.00 H new ATOM 0 HB3 ASN A 197 13.363 1.189 -7.514 1.00 0.00 H new ATOM 0 HD21 ASN A 197 13.172 -2.435 -6.483 1.00 0.00 H new ATOM 0 HD22 ASN A 197 12.006 -1.197 -6.964 1.00 0.00 H new TER 1003 ASN A 197