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= 0.103 F(o=-3.5,f=-1.4) USER MOD Set 1.2: A 141 ASN :FLIP amide:sc= -1.49 F(o=-3.2!,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= 0.0325 USER MOD Single : A 145 GLN : amide:sc= -8.68! C(o=-8.7!,f=-8.9!) USER MOD Single : A 147 ASN : amide:sc= 0.251 K(o=0.25,f=-0.87) 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= -8.71! C(o=-8.7!,f=-9!) 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= -0.0982 X(o=-0.098,f=-0.069) USER MOD Single : A 161 LYS NZ :NH3+ -133:sc= -0.13 (180deg=-2.36!) USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 LYS NZ :NH3+ -162:sc= -0.0554 (180deg=-0.501) USER MOD Single : A 165 SER OG : rot 180:sc= 0 USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 ASN : amide:sc=-0.00541 X(o=-0.0054,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= -0.95 (180deg=-1.59!) USER MOD Single : A 175 SER OG : rot 180:sc= 0 USER MOD Single : A 186 MET CE :methyl -173:sc=-0.00728 (180deg=-0.0801) USER MOD Single : A 188 THR OG1 : rot -158:sc= -0.352 USER MOD Single : A 197 ASN : amide:sc= -0.0785 K(o=-0.078,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 133 17.949 -0.140 5.117 1.00 0.00 N ATOM 2 CA GLU A 133 18.454 -0.017 3.720 1.00 0.00 C ATOM 3 C GLU A 133 17.545 -0.802 2.782 1.00 0.00 C ATOM 4 O GLU A 133 17.066 -0.272 1.779 1.00 0.00 O ATOM 5 CB GLU A 133 19.880 -0.567 3.648 1.00 0.00 C ATOM 6 CG GLU A 133 20.450 -0.329 2.248 1.00 0.00 C ATOM 7 CD GLU A 133 21.915 -0.748 2.202 1.00 0.00 C ATOM 8 OE1 GLU A 133 22.214 -1.835 2.667 1.00 0.00 O ATOM 9 OE2 GLU A 133 22.716 0.024 1.701 1.00 0.00 O ATOM 0 HA GLU A 133 18.458 1.031 3.419 1.00 0.00 H new ATOM 0 HB2 GLU A 133 20.507 -0.080 4.395 1.00 0.00 H new ATOM 0 HB3 GLU A 133 19.882 -1.633 3.876 1.00 0.00 H new ATOM 0 HG2 GLU A 133 19.878 -0.895 1.513 1.00 0.00 H new ATOM 0 HG3 GLU A 133 20.356 0.724 1.983 1.00 0.00 H new ATOM 18 N ALA A 134 17.312 -2.067 3.112 1.00 0.00 N ATOM 19 CA ALA A 134 16.458 -2.917 2.290 1.00 0.00 C ATOM 20 C ALA A 134 15.036 -2.365 2.248 1.00 0.00 C ATOM 21 O ALA A 134 14.723 -1.377 2.914 1.00 0.00 O ATOM 22 CB ALA A 134 16.439 -4.339 2.852 1.00 0.00 C ATOM 0 H ALA A 134 17.699 -2.525 3.937 1.00 0.00 H new ATOM 0 HA ALA A 134 16.860 -2.933 1.277 1.00 0.00 H new ATOM 0 HB1 ALA A 134 15.799 -4.967 2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 134 17.451 -4.743 2.854 1.00 0.00 H new ATOM 0 HB3 ALA A 134 16.053 -4.322 3.871 1.00 0.00 H new ATOM 28 N CYS A 135 14.179 -3.010 1.461 1.00 0.00 N ATOM 29 CA CYS A 135 12.793 -2.573 1.341 1.00 0.00 C ATOM 30 C CYS A 135 12.110 -2.585 2.705 1.00 0.00 C ATOM 31 O CYS A 135 12.502 -3.335 3.600 1.00 0.00 O ATOM 32 CB CYS A 135 12.044 -3.486 0.367 1.00 0.00 C ATOM 33 SG CYS A 135 12.652 -3.186 -1.314 1.00 0.00 S ATOM 0 H CYS A 135 14.417 -3.829 0.902 1.00 0.00 H new ATOM 0 HA CYS A 135 12.778 -1.553 0.957 1.00 0.00 H new ATOM 0 HB2 CYS A 135 12.194 -4.531 0.640 1.00 0.00 H new ATOM 0 HB3 CYS A 135 10.972 -3.293 0.419 1.00 0.00 H new ATOM 38 N GLN A 136 11.089 -1.740 2.860 1.00 0.00 N ATOM 39 CA GLN A 136 10.351 -1.644 4.123 1.00 0.00 C ATOM 40 C GLN A 136 8.877 -1.955 3.898 1.00 0.00 C ATOM 41 O GLN A 136 8.370 -1.817 2.787 1.00 0.00 O ATOM 42 CB GLN A 136 10.490 -0.234 4.699 1.00 0.00 C ATOM 43 CG GLN A 136 11.932 -0.010 5.158 1.00 0.00 C ATOM 44 CD GLN A 136 12.096 1.411 5.689 1.00 0.00 C ATOM 45 OE1 GLN A 136 11.495 1.769 6.702 1.00 0.00 O ATOM 46 NE2 GLN A 136 12.879 2.245 5.061 1.00 0.00 N ATOM 0 H GLN A 136 10.754 -1.113 2.129 1.00 0.00 H new ATOM 0 HA GLN A 136 10.765 -2.368 4.825 1.00 0.00 H new ATOM 0 HB2 GLN A 136 10.218 0.506 3.947 1.00 0.00 H new ATOM 0 HB3 GLN A 136 9.806 -0.103 5.537 1.00 0.00 H new ATOM 0 HG2 GLN A 136 12.191 -0.729 5.935 1.00 0.00 H new ATOM 0 HG3 GLN A 136 12.617 -0.178 4.327 1.00 0.00 H new ATOM 0 HE21 GLN A 136 13.375 1.945 4.222 1.00 0.00 H new ATOM 0 HE22 GLN A 136 12.995 3.197 5.409 1.00 0.00 H new ATOM 55 N PHE A 137 8.193 -2.384 4.957 1.00 0.00 N ATOM 56 CA PHE A 137 6.771 -2.722 4.868 1.00 0.00 C ATOM 57 C PHE A 137 5.923 -1.707 5.635 1.00 0.00 C ATOM 58 O PHE A 137 6.276 -1.296 6.741 1.00 0.00 O ATOM 59 CB PHE A 137 6.542 -4.131 5.435 1.00 0.00 C ATOM 60 CG PHE A 137 5.058 -4.411 5.562 1.00 0.00 C ATOM 61 CD1 PHE A 137 4.224 -4.305 4.441 1.00 0.00 C ATOM 62 CD2 PHE A 137 4.513 -4.772 6.804 1.00 0.00 C ATOM 63 CE1 PHE A 137 2.857 -4.559 4.558 1.00 0.00 C ATOM 64 CE2 PHE A 137 3.142 -5.027 6.920 1.00 0.00 C ATOM 65 CZ PHE A 137 2.313 -4.922 5.797 1.00 0.00 C ATOM 0 H PHE A 137 8.598 -2.506 5.885 1.00 0.00 H new ATOM 0 HA PHE A 137 6.470 -2.697 3.821 1.00 0.00 H new ATOM 0 HB2 PHE A 137 7.005 -4.872 4.783 1.00 0.00 H new ATOM 0 HB3 PHE A 137 7.021 -4.220 6.410 1.00 0.00 H new ATOM 0 HD1 PHE A 137 4.640 -4.026 3.484 1.00 0.00 H new ATOM 0 HD2 PHE A 137 5.152 -4.853 7.671 1.00 0.00 H new ATOM 0 HE1 PHE A 137 2.217 -4.476 3.692 1.00 0.00 H new ATOM 0 HE2 PHE A 137 2.723 -5.305 7.876 1.00 0.00 H new ATOM 0 HZ PHE A 137 1.255 -5.121 5.886 1.00 0.00 H new ATOM 75 N SER A 138 4.800 -1.312 5.036 1.00 0.00 N ATOM 76 CA SER A 138 3.895 -0.347 5.657 1.00 0.00 C ATOM 77 C SER A 138 2.452 -0.630 5.238 1.00 0.00 C ATOM 78 O SER A 138 2.175 -0.888 4.068 1.00 0.00 O ATOM 79 CB SER A 138 4.282 1.071 5.239 1.00 0.00 C ATOM 80 OG SER A 138 3.678 2.004 6.126 1.00 0.00 O ATOM 0 H SER A 138 4.496 -1.646 4.121 1.00 0.00 H new ATOM 0 HA SER A 138 3.974 -0.439 6.740 1.00 0.00 H new ATOM 0 HB2 SER A 138 5.366 1.185 5.256 1.00 0.00 H new ATOM 0 HB3 SER A 138 3.958 1.262 4.216 1.00 0.00 H new ATOM 0 HG SER A 138 3.926 2.914 5.861 1.00 0.00 H new ATOM 86 N HIS A 139 1.536 -0.581 6.208 1.00 0.00 N ATOM 87 CA HIS A 139 0.115 -0.836 5.939 1.00 0.00 C ATOM 88 C HIS A 139 -0.763 0.230 6.591 1.00 0.00 C ATOM 89 O HIS A 139 -0.334 0.930 7.508 1.00 0.00 O ATOM 90 CB HIS A 139 -0.281 -2.216 6.471 1.00 0.00 C ATOM 91 CG HIS A 139 -0.206 -2.221 7.971 1.00 0.00 C ATOM 92 ND1 HIS A 139 -1.114 -1.855 8.934 1.00 0.00 N flip ATOM 93 CD2 HIS A 139 0.923 -2.642 8.656 1.00 0.00 C flip ATOM 94 CE1 HIS A 139 -0.560 -2.046 10.197 1.00 0.00 C flip ATOM 95 NE2 HIS A 139 0.669 -2.521 9.972 1.00 0.00 N flip ATOM 0 H HIS A 139 1.749 -0.368 7.183 1.00 0.00 H new ATOM 0 HA HIS A 139 -0.036 -0.803 4.860 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -1.291 -2.465 6.147 1.00 0.00 H new ATOM 0 HB3 HIS A 139 0.382 -2.978 6.062 1.00 0.00 H new ATOM 0 HD2 HIS A 139 1.840 -3.002 8.214 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -1.024 -1.852 11.153 1.00 0.00 H new ATOM 0 HE2 HIS A 139 1.333 -2.762 10.708 1.00 0.00 H new ATOM 104 N VAL A 140 -1.998 0.343 6.100 1.00 0.00 N ATOM 105 CA VAL A 140 -2.954 1.325 6.622 1.00 0.00 C ATOM 106 C VAL A 140 -4.324 0.669 6.800 1.00 0.00 C ATOM 107 O VAL A 140 -4.954 0.263 5.824 1.00 0.00 O ATOM 108 CB VAL A 140 -3.053 2.503 5.642 1.00 0.00 C ATOM 109 CG1 VAL A 140 -4.235 3.406 6.009 1.00 0.00 C ATOM 110 CG2 VAL A 140 -1.762 3.321 5.704 1.00 0.00 C ATOM 0 H VAL A 140 -2.361 -0.233 5.341 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.614 1.691 7.591 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.203 2.112 4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -4.291 4.236 5.305 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.160 2.830 5.966 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -4.096 3.795 7.018 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -1.828 4.158 5.010 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -1.619 3.699 6.716 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -0.917 2.689 5.431 1.00 0.00 H new ATOM 120 N ASN A 141 -4.781 0.558 8.050 1.00 0.00 N ATOM 121 CA ASN A 141 -6.079 -0.066 8.328 1.00 0.00 C ATOM 122 C ASN A 141 -6.735 0.538 9.574 1.00 0.00 C ATOM 123 O ASN A 141 -6.145 0.548 10.654 1.00 0.00 O ATOM 124 CB ASN A 141 -5.892 -1.575 8.532 1.00 0.00 C ATOM 125 CG ASN A 141 -5.226 -1.857 9.876 1.00 0.00 C ATOM 126 OD1 ASN A 141 -5.945 -1.837 10.965 1.00 0.00 O flip ATOM 127 ND2 ASN A 141 -4.022 -2.105 9.936 1.00 0.00 N flip ATOM 0 H ASN A 141 -4.280 0.887 8.876 1.00 0.00 H new ATOM 0 HA ASN A 141 -6.732 0.119 7.475 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -6.859 -2.076 8.487 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.283 -1.984 7.725 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -3.461 -2.120 9.084 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -3.585 -2.295 10.838 1.00 0.00 H new ATOM 134 N SER A 142 -7.973 1.018 9.419 1.00 0.00 N ATOM 135 CA SER A 142 -8.722 1.596 10.542 1.00 0.00 C ATOM 136 C SER A 142 -10.182 1.156 10.474 1.00 0.00 C ATOM 137 O SER A 142 -10.576 0.416 9.573 1.00 0.00 O ATOM 138 CB SER A 142 -8.632 3.126 10.531 1.00 0.00 C ATOM 139 OG SER A 142 -8.888 3.617 11.840 1.00 0.00 O ATOM 0 H SER A 142 -8.477 1.018 8.532 1.00 0.00 H new ATOM 0 HA SER A 142 -8.281 1.236 11.471 1.00 0.00 H new ATOM 0 HB2 SER A 142 -7.644 3.442 10.198 1.00 0.00 H new ATOM 0 HB3 SER A 142 -9.353 3.540 9.826 1.00 0.00 H new ATOM 0 HG SER A 142 -8.830 4.595 11.840 1.00 0.00 H new ATOM 145 N ARG A 143 -10.981 1.612 11.432 1.00 0.00 N ATOM 146 CA ARG A 143 -12.394 1.254 11.472 1.00 0.00 C ATOM 147 C ARG A 143 -13.186 1.983 10.387 1.00 0.00 C ATOM 148 O ARG A 143 -14.100 1.415 9.790 1.00 0.00 O ATOM 149 CB ARG A 143 -12.979 1.598 12.848 1.00 0.00 C ATOM 150 CG ARG A 143 -14.322 0.868 13.053 1.00 0.00 C ATOM 151 CD ARG A 143 -14.087 -0.533 13.637 1.00 0.00 C ATOM 152 NE ARG A 143 -13.941 -0.456 15.085 1.00 0.00 N ATOM 153 CZ ARG A 143 -13.819 -1.554 15.823 1.00 0.00 C ATOM 154 NH1 ARG A 143 -13.828 -2.728 15.252 1.00 0.00 N ATOM 155 NH2 ARG A 143 -13.691 -1.460 17.120 1.00 0.00 N ATOM 0 H ARG A 143 -10.677 2.227 12.187 1.00 0.00 H new ATOM 0 HA ARG A 143 -12.473 0.182 11.291 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -12.278 1.311 13.632 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -13.126 2.675 12.930 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -14.959 1.446 13.723 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -14.849 0.789 12.102 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -14.922 -1.186 13.382 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -13.192 -0.973 13.197 1.00 0.00 H new ATOM 0 HE ARG A 143 -13.932 0.457 15.540 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -13.929 -2.802 14.240 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -13.734 -3.571 15.818 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -13.685 -0.543 17.567 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -13.597 -2.304 17.686 1.00 0.00 H new ATOM 169 N ASP A 144 -12.843 3.249 10.146 1.00 0.00 N ATOM 170 CA ASP A 144 -13.546 4.053 9.142 1.00 0.00 C ATOM 171 C ASP A 144 -12.853 3.986 7.783 1.00 0.00 C ATOM 172 O ASP A 144 -13.482 4.216 6.749 1.00 0.00 O ATOM 173 CB ASP A 144 -13.609 5.509 9.604 1.00 0.00 C ATOM 174 CG ASP A 144 -14.482 6.321 8.654 1.00 0.00 C ATOM 175 OD1 ASP A 144 -15.432 5.762 8.130 1.00 0.00 O ATOM 176 OD2 ASP A 144 -14.188 7.489 8.462 1.00 0.00 O ATOM 0 H ASP A 144 -12.089 3.738 10.628 1.00 0.00 H new ATOM 0 HA ASP A 144 -14.552 3.647 9.033 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -14.012 5.561 10.615 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -12.605 5.932 9.639 1.00 0.00 H new ATOM 181 N GLN A 145 -11.560 3.685 7.786 1.00 0.00 N ATOM 182 CA GLN A 145 -10.802 3.608 6.541 1.00 0.00 C ATOM 183 C GLN A 145 -11.401 2.556 5.601 1.00 0.00 C ATOM 184 O GLN A 145 -10.865 1.460 5.463 1.00 0.00 O ATOM 185 CB GLN A 145 -9.335 3.264 6.861 1.00 0.00 C ATOM 186 CG GLN A 145 -8.539 4.546 7.154 1.00 0.00 C ATOM 187 CD GLN A 145 -7.064 4.215 7.339 1.00 0.00 C ATOM 188 OE1 GLN A 145 -6.198 4.932 6.837 1.00 0.00 O ATOM 189 NE2 GLN A 145 -6.726 3.170 8.035 1.00 0.00 N ATOM 0 H GLN A 145 -11.017 3.492 8.628 1.00 0.00 H new ATOM 0 HA GLN A 145 -10.850 4.573 6.037 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -9.290 2.595 7.721 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -8.887 2.733 6.021 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -8.661 5.254 6.335 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -8.927 5.027 8.052 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -7.446 2.578 8.449 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -5.741 2.942 8.167 1.00 0.00 H new ATOM 198 N CYS A 146 -12.512 2.915 4.951 1.00 0.00 N ATOM 199 CA CYS A 146 -13.201 2.018 4.013 1.00 0.00 C ATOM 200 C CYS A 146 -13.225 2.642 2.611 1.00 0.00 C ATOM 201 O CYS A 146 -14.003 3.558 2.346 1.00 0.00 O ATOM 202 CB CYS A 146 -14.633 1.783 4.521 1.00 0.00 C ATOM 203 SG CYS A 146 -15.507 0.614 3.450 1.00 0.00 S ATOM 0 H CYS A 146 -12.957 3.826 5.057 1.00 0.00 H new ATOM 0 HA CYS A 146 -12.674 1.066 3.952 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -14.604 1.398 5.541 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -15.173 2.729 4.552 1.00 0.00 H new ATOM 208 N ASN A 147 -12.348 2.151 1.722 1.00 0.00 N ATOM 209 CA ASN A 147 -12.253 2.679 0.349 1.00 0.00 C ATOM 210 C ASN A 147 -12.182 1.548 -0.685 1.00 0.00 C ATOM 211 O ASN A 147 -11.955 0.390 -0.338 1.00 0.00 O ATOM 212 CB ASN A 147 -11.007 3.559 0.219 1.00 0.00 C ATOM 213 CG ASN A 147 -10.873 4.456 1.445 1.00 0.00 C ATOM 214 OD1 ASN A 147 -11.311 5.607 1.422 1.00 0.00 O ATOM 215 ND2 ASN A 147 -10.290 3.997 2.518 1.00 0.00 N ATOM 0 H ASN A 147 -11.697 1.393 1.926 1.00 0.00 H new ATOM 0 HA ASN A 147 -13.150 3.266 0.154 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -10.120 2.935 0.116 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -11.074 4.168 -0.682 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -10.196 4.592 3.341 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -9.928 3.043 2.534 1.00 0.00 H new ATOM 222 N ASP A 148 -12.387 1.901 -1.959 1.00 0.00 N ATOM 223 CA ASP A 148 -12.355 0.921 -3.047 1.00 0.00 C ATOM 224 C ASP A 148 -10.925 0.511 -3.401 1.00 0.00 C ATOM 225 O ASP A 148 -9.966 1.217 -3.099 1.00 0.00 O ATOM 226 CB ASP A 148 -13.061 1.487 -4.284 1.00 0.00 C ATOM 227 CG ASP A 148 -12.624 2.923 -4.543 1.00 0.00 C ATOM 228 OD1 ASP A 148 -13.136 3.808 -3.878 1.00 0.00 O ATOM 229 OD2 ASP A 148 -11.790 3.119 -5.411 1.00 0.00 O ATOM 0 H ASP A 148 -12.576 2.857 -2.260 1.00 0.00 H new ATOM 0 HA ASP A 148 -12.879 0.029 -2.704 1.00 0.00 H new ATOM 0 HB2 ASP A 148 -12.833 0.870 -5.153 1.00 0.00 H new ATOM 0 HB3 ASP A 148 -14.141 1.450 -4.141 1.00 0.00 H new ATOM 234 N TYR A 149 -10.807 -0.653 -4.040 1.00 0.00 N ATOM 235 CA TYR A 149 -9.506 -1.186 -4.438 1.00 0.00 C ATOM 236 C TYR A 149 -8.652 -0.112 -5.106 1.00 0.00 C ATOM 237 O TYR A 149 -7.555 0.197 -4.645 1.00 0.00 O ATOM 238 CB TYR A 149 -9.712 -2.350 -5.412 1.00 0.00 C ATOM 239 CG TYR A 149 -8.389 -3.013 -5.720 1.00 0.00 C ATOM 240 CD1 TYR A 149 -7.916 -4.054 -4.907 1.00 0.00 C ATOM 241 CD2 TYR A 149 -7.640 -2.593 -6.825 1.00 0.00 C ATOM 242 CE1 TYR A 149 -6.696 -4.672 -5.202 1.00 0.00 C ATOM 243 CE2 TYR A 149 -6.419 -3.211 -7.120 1.00 0.00 C ATOM 244 CZ TYR A 149 -5.948 -4.252 -6.309 1.00 0.00 C ATOM 245 OH TYR A 149 -4.744 -4.862 -6.600 1.00 0.00 O ATOM 0 H TYR A 149 -11.598 -1.245 -4.293 1.00 0.00 H new ATOM 0 HA TYR A 149 -8.987 -1.530 -3.544 1.00 0.00 H new ATOM 0 HB2 TYR A 149 -10.400 -3.077 -4.981 1.00 0.00 H new ATOM 0 HB3 TYR A 149 -10.168 -1.987 -6.333 1.00 0.00 H new ATOM 0 HD1 TYR A 149 -8.493 -4.378 -4.054 1.00 0.00 H new ATOM 0 HD2 TYR A 149 -8.004 -1.792 -7.451 1.00 0.00 H new ATOM 0 HE1 TYR A 149 -6.331 -5.473 -4.576 1.00 0.00 H new ATOM 0 HE2 TYR A 149 -5.841 -2.886 -7.972 1.00 0.00 H new ATOM 0 HH TYR A 149 -4.011 -4.344 -6.206 1.00 0.00 H new ATOM 255 N GLN A 150 -9.163 0.449 -6.199 1.00 0.00 N ATOM 256 CA GLN A 150 -8.435 1.481 -6.928 1.00 0.00 C ATOM 257 C GLN A 150 -8.052 2.629 -6.001 1.00 0.00 C ATOM 258 O GLN A 150 -6.902 3.066 -5.981 1.00 0.00 O ATOM 259 CB GLN A 150 -9.293 2.013 -8.078 1.00 0.00 C ATOM 260 CG GLN A 150 -8.553 3.152 -8.791 1.00 0.00 C ATOM 261 CD GLN A 150 -9.116 3.347 -10.190 1.00 0.00 C ATOM 262 OE1 GLN A 150 -9.948 4.228 -10.413 1.00 0.00 O ATOM 263 NE2 GLN A 150 -8.706 2.571 -11.151 1.00 0.00 N ATOM 0 H GLN A 150 -10.071 0.208 -6.596 1.00 0.00 H new ATOM 0 HA GLN A 150 -7.524 1.038 -7.330 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -9.511 1.211 -8.783 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -10.249 2.371 -7.696 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -8.652 4.075 -8.219 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.488 2.925 -8.848 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -8.017 1.843 -10.960 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -9.074 2.690 -12.095 1.00 0.00 H new ATOM 272 N HIS A 151 -9.023 3.115 -5.236 1.00 0.00 N ATOM 273 CA HIS A 151 -8.775 4.213 -4.313 1.00 0.00 C ATOM 274 C HIS A 151 -7.570 3.896 -3.433 1.00 0.00 C ATOM 275 O HIS A 151 -6.678 4.729 -3.268 1.00 0.00 O ATOM 276 CB HIS A 151 -10.014 4.453 -3.433 1.00 0.00 C ATOM 277 CG HIS A 151 -11.010 5.313 -4.169 1.00 0.00 C ATOM 278 ND1 HIS A 151 -12.059 5.948 -3.523 1.00 0.00 N ATOM 279 CD2 HIS A 151 -11.126 5.654 -5.495 1.00 0.00 C ATOM 280 CE1 HIS A 151 -12.754 6.632 -4.451 1.00 0.00 C ATOM 281 NE2 HIS A 151 -12.227 6.486 -5.671 1.00 0.00 N ATOM 0 H HIS A 151 -9.982 2.768 -5.237 1.00 0.00 H new ATOM 0 HA HIS A 151 -8.567 5.115 -4.889 1.00 0.00 H new ATOM 0 HB2 HIS A 151 -10.471 3.500 -3.166 1.00 0.00 H new ATOM 0 HB3 HIS A 151 -9.721 4.938 -2.502 1.00 0.00 H new ATOM 0 HD2 HIS A 151 -10.463 5.326 -6.282 1.00 0.00 H new ATOM 0 HE1 HIS A 151 -13.630 7.226 -4.236 1.00 0.00 H new ATOM 0 HE2 HIS A 151 -12.560 6.896 -6.543 1.00 0.00 H new ATOM 290 N TRP A 152 -7.550 2.696 -2.864 1.00 0.00 N ATOM 291 CA TRP A 152 -6.443 2.309 -2.001 1.00 0.00 C ATOM 292 C TRP A 152 -5.125 2.347 -2.777 1.00 0.00 C ATOM 293 O TRP A 152 -4.130 2.880 -2.297 1.00 0.00 O ATOM 294 CB TRP A 152 -6.670 0.894 -1.423 1.00 0.00 C ATOM 295 CG TRP A 152 -7.452 0.948 -0.143 1.00 0.00 C ATOM 296 CD1 TRP A 152 -8.555 0.204 0.110 1.00 0.00 C ATOM 297 CD2 TRP A 152 -7.209 1.745 1.063 1.00 0.00 C ATOM 298 NE1 TRP A 152 -9.013 0.498 1.380 1.00 0.00 N ATOM 299 CE2 TRP A 152 -8.222 1.442 2.004 1.00 0.00 C ATOM 300 CE3 TRP A 152 -6.229 2.698 1.434 1.00 0.00 C ATOM 301 CZ2 TRP A 152 -8.264 2.055 3.254 1.00 0.00 C ATOM 302 CZ3 TRP A 152 -6.272 3.310 2.691 1.00 0.00 C ATOM 303 CH2 TRP A 152 -7.285 2.994 3.598 1.00 0.00 C ATOM 0 H TRP A 152 -8.274 1.987 -2.982 1.00 0.00 H new ATOM 0 HA TRP A 152 -6.391 3.019 -1.176 1.00 0.00 H new ATOM 0 HB2 TRP A 152 -7.202 0.282 -2.151 1.00 0.00 H new ATOM 0 HB3 TRP A 152 -5.708 0.413 -1.244 1.00 0.00 H new ATOM 0 HD1 TRP A 152 -9.004 -0.504 -0.571 1.00 0.00 H new ATOM 0 HE1 TRP A 152 -9.835 0.070 1.805 1.00 0.00 H new ATOM 0 HE3 TRP A 152 -5.442 2.954 0.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 152 -9.048 1.807 3.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 152 -5.516 4.032 2.962 1.00 0.00 H new ATOM 0 HH2 TRP A 152 -7.313 3.474 4.565 1.00 0.00 H new ATOM 314 N LYS A 153 -5.127 1.768 -3.971 1.00 0.00 N ATOM 315 CA LYS A 153 -3.926 1.731 -4.799 1.00 0.00 C ATOM 316 C LYS A 153 -3.279 3.110 -4.875 1.00 0.00 C ATOM 317 O LYS A 153 -2.056 3.234 -4.815 1.00 0.00 O ATOM 318 CB LYS A 153 -4.299 1.224 -6.208 1.00 0.00 C ATOM 319 CG LYS A 153 -3.121 0.476 -6.867 1.00 0.00 C ATOM 320 CD LYS A 153 -3.652 -0.460 -7.964 1.00 0.00 C ATOM 321 CE LYS A 153 -4.299 0.357 -9.087 1.00 0.00 C ATOM 322 NZ LYS A 153 -4.328 -0.456 -10.335 1.00 0.00 N ATOM 0 H LYS A 153 -5.943 1.319 -4.387 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.201 1.051 -4.352 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -5.161 0.561 -6.141 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -4.593 2.067 -6.834 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -2.417 1.190 -7.294 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -2.577 -0.098 -6.117 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -2.837 -1.062 -8.365 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -4.381 -1.152 -7.541 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -5.311 0.647 -8.805 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -3.739 1.277 -9.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -4.767 0.096 -11.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -3.357 -0.711 -10.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -4.881 -1.322 -10.172 1.00 0.00 H new ATOM 336 N ASP A 154 -4.101 4.141 -5.001 1.00 0.00 N ATOM 337 CA ASP A 154 -3.583 5.500 -5.076 1.00 0.00 C ATOM 338 C ASP A 154 -3.111 5.971 -3.703 1.00 0.00 C ATOM 339 O ASP A 154 -2.006 6.489 -3.566 1.00 0.00 O ATOM 340 CB ASP A 154 -4.666 6.444 -5.598 1.00 0.00 C ATOM 341 CG ASP A 154 -4.970 6.131 -7.058 1.00 0.00 C ATOM 342 OD1 ASP A 154 -5.020 4.960 -7.395 1.00 0.00 O ATOM 343 OD2 ASP A 154 -5.148 7.068 -7.820 1.00 0.00 O ATOM 0 H ASP A 154 -5.117 4.066 -5.053 1.00 0.00 H new ATOM 0 HA ASP A 154 -2.735 5.508 -5.761 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -5.571 6.340 -4.999 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -4.337 7.478 -5.500 1.00 0.00 H new ATOM 348 N GLU A 155 -3.956 5.785 -2.691 1.00 0.00 N ATOM 349 CA GLU A 155 -3.616 6.204 -1.333 1.00 0.00 C ATOM 350 C GLU A 155 -2.319 5.544 -0.860 1.00 0.00 C ATOM 351 O GLU A 155 -1.401 6.229 -0.408 1.00 0.00 O ATOM 352 CB GLU A 155 -4.769 5.862 -0.378 1.00 0.00 C ATOM 353 CG GLU A 155 -4.335 6.061 1.089 1.00 0.00 C ATOM 354 CD GLU A 155 -5.537 6.430 1.957 1.00 0.00 C ATOM 355 OE1 GLU A 155 -6.608 5.903 1.707 1.00 0.00 O ATOM 356 OE2 GLU A 155 -5.368 7.237 2.856 1.00 0.00 O ATOM 0 H GLU A 155 -4.874 5.350 -2.784 1.00 0.00 H new ATOM 0 HA GLU A 155 -3.460 7.283 -1.335 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -5.630 6.494 -0.597 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -5.083 4.830 -0.533 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -3.874 5.148 1.465 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -3.581 6.846 1.148 1.00 0.00 H new ATOM 363 N ALA A 156 -2.239 4.221 -0.971 1.00 0.00 N ATOM 364 CA ALA A 156 -1.035 3.510 -0.550 1.00 0.00 C ATOM 365 C ALA A 156 0.174 4.097 -1.265 1.00 0.00 C ATOM 366 O ALA A 156 1.277 4.138 -0.719 1.00 0.00 O ATOM 367 CB ALA A 156 -1.153 2.016 -0.873 1.00 0.00 C ATOM 0 H ALA A 156 -2.980 3.627 -1.343 1.00 0.00 H new ATOM 0 HA ALA A 156 -0.916 3.623 0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -0.247 1.502 -0.552 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -2.012 1.597 -0.349 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -1.284 1.885 -1.947 1.00 0.00 H new ATOM 373 N GLY A 157 -0.049 4.566 -2.489 1.00 0.00 N ATOM 374 CA GLY A 157 1.023 5.166 -3.273 1.00 0.00 C ATOM 375 C GLY A 157 1.502 6.463 -2.625 1.00 0.00 C ATOM 376 O GLY A 157 2.703 6.674 -2.456 1.00 0.00 O ATOM 0 H GLY A 157 -0.956 4.542 -2.956 1.00 0.00 H new ATOM 0 HA2 GLY A 157 1.855 4.466 -3.357 1.00 0.00 H new ATOM 0 HA3 GLY A 157 0.672 5.367 -4.285 1.00 0.00 H new ATOM 380 N LYS A 158 0.557 7.329 -2.268 1.00 0.00 N ATOM 381 CA LYS A 158 0.903 8.603 -1.642 1.00 0.00 C ATOM 382 C LYS A 158 1.522 8.383 -0.266 1.00 0.00 C ATOM 383 O LYS A 158 2.429 9.110 0.135 1.00 0.00 O ATOM 384 CB LYS A 158 -0.340 9.489 -1.498 1.00 0.00 C ATOM 385 CG LYS A 158 -1.129 9.519 -2.819 1.00 0.00 C ATOM 386 CD LYS A 158 -1.936 10.818 -2.918 1.00 0.00 C ATOM 387 CE LYS A 158 -2.955 10.876 -1.776 1.00 0.00 C ATOM 388 NZ LYS A 158 -3.922 11.979 -2.028 1.00 0.00 N ATOM 0 H LYS A 158 -0.443 7.175 -2.399 1.00 0.00 H new ATOM 0 HA LYS A 158 1.630 9.099 -2.285 1.00 0.00 H new ATOM 0 HB2 LYS A 158 -0.974 9.111 -0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -0.044 10.501 -1.220 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -0.444 9.442 -3.663 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -1.798 8.660 -2.872 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -1.268 11.678 -2.867 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -2.448 10.868 -3.879 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -3.483 9.926 -1.698 1.00 0.00 H new ATOM 0 HE3 LYS A 158 -2.444 11.036 -0.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 -4.614 12.018 -1.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 -3.411 12.883 -2.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 -4.418 11.807 -2.926 1.00 0.00 H new ATOM 402 N GLN A 159 1.023 7.385 0.459 1.00 0.00 N ATOM 403 CA GLN A 159 1.541 7.101 1.795 1.00 0.00 C ATOM 404 C GLN A 159 3.039 6.798 1.733 1.00 0.00 C ATOM 405 O GLN A 159 3.810 7.247 2.580 1.00 0.00 O ATOM 406 CB GLN A 159 0.781 5.909 2.421 1.00 0.00 C ATOM 407 CG GLN A 159 0.645 6.108 3.938 1.00 0.00 C ATOM 408 CD GLN A 159 -0.470 7.105 4.239 1.00 0.00 C ATOM 409 OE1 GLN A 159 -0.216 8.169 4.804 1.00 0.00 O ATOM 410 NE2 GLN A 159 -1.696 6.822 3.894 1.00 0.00 N ATOM 0 H GLN A 159 0.272 6.768 0.150 1.00 0.00 H new ATOM 0 HA GLN A 159 1.390 7.981 2.420 1.00 0.00 H new ATOM 0 HB2 GLN A 159 -0.206 5.819 1.968 1.00 0.00 H new ATOM 0 HB3 GLN A 159 1.312 4.980 2.214 1.00 0.00 H new ATOM 0 HG2 GLN A 159 0.430 5.154 4.420 1.00 0.00 H new ATOM 0 HG3 GLN A 159 1.587 6.469 4.351 1.00 0.00 H new ATOM 0 HE21 GLN A 159 -1.903 5.940 3.426 1.00 0.00 H new ATOM 0 HE22 GLN A 159 -2.447 7.483 4.092 1.00 0.00 H new ATOM 419 N CYS A 160 3.438 6.026 0.730 1.00 0.00 N ATOM 420 CA CYS A 160 4.840 5.662 0.568 1.00 0.00 C ATOM 421 C CYS A 160 5.645 6.825 -0.005 1.00 0.00 C ATOM 422 O CYS A 160 6.755 7.107 0.447 1.00 0.00 O ATOM 423 CB CYS A 160 4.949 4.461 -0.366 1.00 0.00 C ATOM 424 SG CYS A 160 6.601 3.737 -0.228 1.00 0.00 S ATOM 0 H CYS A 160 2.815 5.642 0.020 1.00 0.00 H new ATOM 0 HA CYS A 160 5.246 5.411 1.548 1.00 0.00 H new ATOM 0 HB2 CYS A 160 4.193 3.719 -0.111 1.00 0.00 H new ATOM 0 HB3 CYS A 160 4.760 4.768 -1.395 1.00 0.00 H new ATOM 429 N LYS A 161 5.085 7.487 -1.010 1.00 0.00 N ATOM 430 CA LYS A 161 5.764 8.609 -1.650 1.00 0.00 C ATOM 431 C LYS A 161 6.006 9.741 -0.657 1.00 0.00 C ATOM 432 O LYS A 161 7.126 10.233 -0.525 1.00 0.00 O ATOM 433 CB LYS A 161 4.923 9.130 -2.822 1.00 0.00 C ATOM 434 CG LYS A 161 4.837 8.062 -3.930 1.00 0.00 C ATOM 435 CD LYS A 161 6.063 8.142 -4.848 1.00 0.00 C ATOM 436 CE LYS A 161 5.876 7.190 -6.030 1.00 0.00 C ATOM 437 NZ LYS A 161 5.738 5.794 -5.527 1.00 0.00 N ATOM 0 H LYS A 161 4.167 7.269 -1.398 1.00 0.00 H new ATOM 0 HA LYS A 161 6.728 8.256 -2.017 1.00 0.00 H new ATOM 0 HB2 LYS A 161 3.922 9.387 -2.475 1.00 0.00 H new ATOM 0 HB3 LYS A 161 5.366 10.043 -3.220 1.00 0.00 H new ATOM 0 HG2 LYS A 161 4.774 7.070 -3.483 1.00 0.00 H new ATOM 0 HG3 LYS A 161 3.928 8.207 -4.514 1.00 0.00 H new ATOM 0 HD2 LYS A 161 6.196 9.163 -5.207 1.00 0.00 H new ATOM 0 HD3 LYS A 161 6.964 7.879 -4.294 1.00 0.00 H new ATOM 0 HE2 LYS A 161 4.991 7.471 -6.601 1.00 0.00 H new ATOM 0 HE3 LYS A 161 6.728 7.262 -6.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 6.352 5.163 -6.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 6.017 5.757 -4.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 4.749 5.487 -5.623 1.00 0.00 H new ATOM 451 N THR A 162 4.951 10.155 0.037 1.00 0.00 N ATOM 452 CA THR A 162 5.074 11.236 1.010 1.00 0.00 C ATOM 453 C THR A 162 6.041 10.844 2.125 1.00 0.00 C ATOM 454 O THR A 162 6.702 11.699 2.715 1.00 0.00 O ATOM 455 CB THR A 162 3.698 11.582 1.599 1.00 0.00 C ATOM 456 OG1 THR A 162 3.777 12.828 2.274 1.00 0.00 O ATOM 457 CG2 THR A 162 3.254 10.495 2.582 1.00 0.00 C ATOM 0 H THR A 162 4.013 9.765 -0.053 1.00 0.00 H new ATOM 0 HA THR A 162 5.469 12.115 0.501 1.00 0.00 H new ATOM 0 HB THR A 162 2.970 11.645 0.791 1.00 0.00 H new ATOM 0 HG1 THR A 162 2.900 13.053 2.650 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.277 10.752 2.992 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.189 9.539 2.062 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.979 10.419 3.392 1.00 0.00 H new ATOM 465 N LYS A 163 6.120 9.547 2.404 1.00 0.00 N ATOM 466 CA LYS A 163 7.013 9.056 3.445 1.00 0.00 C ATOM 467 C LYS A 163 8.451 9.033 2.940 1.00 0.00 C ATOM 468 O LYS A 163 8.697 8.925 1.737 1.00 0.00 O ATOM 469 CB LYS A 163 6.588 7.644 3.878 1.00 0.00 C ATOM 470 CG LYS A 163 5.394 7.734 4.843 1.00 0.00 C ATOM 471 CD LYS A 163 5.857 8.212 6.256 1.00 0.00 C ATOM 472 CE LYS A 163 5.150 9.518 6.644 1.00 0.00 C ATOM 473 NZ LYS A 163 5.382 9.795 8.090 1.00 0.00 N ATOM 0 H LYS A 163 5.581 8.823 1.928 1.00 0.00 H new ATOM 0 HA LYS A 163 6.953 9.726 4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 163 6.318 7.051 3.004 1.00 0.00 H new ATOM 0 HB3 LYS A 163 7.422 7.136 4.362 1.00 0.00 H new ATOM 0 HG2 LYS A 163 4.651 8.426 4.446 1.00 0.00 H new ATOM 0 HG3 LYS A 163 4.912 6.760 4.924 1.00 0.00 H new ATOM 0 HD2 LYS A 163 5.640 7.441 6.996 1.00 0.00 H new ATOM 0 HD3 LYS A 163 6.937 8.362 6.259 1.00 0.00 H new ATOM 0 HE2 LYS A 163 5.528 10.343 6.039 1.00 0.00 H new ATOM 0 HE3 LYS A 163 4.081 9.439 6.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 4.904 10.680 8.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 5.002 9.012 8.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 6.403 9.887 8.266 1.00 0.00 H new ATOM 487 N LYS A 164 9.400 9.138 3.869 1.00 0.00 N ATOM 488 CA LYS A 164 10.818 9.134 3.515 1.00 0.00 C ATOM 489 C LYS A 164 11.633 8.425 4.591 1.00 0.00 C ATOM 490 O LYS A 164 11.146 8.175 5.693 1.00 0.00 O ATOM 491 CB LYS A 164 11.323 10.575 3.365 1.00 0.00 C ATOM 492 CG LYS A 164 10.852 11.438 4.559 1.00 0.00 C ATOM 493 CD LYS A 164 9.532 12.150 4.228 1.00 0.00 C ATOM 494 CE LYS A 164 9.164 13.098 5.371 1.00 0.00 C ATOM 495 NZ LYS A 164 8.995 12.315 6.629 1.00 0.00 N ATOM 0 H LYS A 164 9.214 9.226 4.868 1.00 0.00 H new ATOM 0 HA LYS A 164 10.936 8.604 2.570 1.00 0.00 H new ATOM 0 HB2 LYS A 164 12.412 10.582 3.310 1.00 0.00 H new ATOM 0 HB3 LYS A 164 10.954 11.001 2.432 1.00 0.00 H new ATOM 0 HG2 LYS A 164 10.721 10.809 5.439 1.00 0.00 H new ATOM 0 HG3 LYS A 164 11.616 12.175 4.805 1.00 0.00 H new ATOM 0 HD2 LYS A 164 9.631 12.707 3.296 1.00 0.00 H new ATOM 0 HD3 LYS A 164 8.739 11.418 4.079 1.00 0.00 H new ATOM 0 HE2 LYS A 164 9.943 13.850 5.499 1.00 0.00 H new ATOM 0 HE3 LYS A 164 8.243 13.630 5.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 8.461 12.880 7.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 8.476 11.437 6.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 9.930 12.081 7.021 1.00 0.00 H new ATOM 509 N SER A 165 12.881 8.105 4.261 1.00 0.00 N ATOM 510 CA SER A 165 13.762 7.429 5.203 1.00 0.00 C ATOM 511 C SER A 165 14.319 8.428 6.216 1.00 0.00 C ATOM 512 O SER A 165 13.848 9.562 6.303 1.00 0.00 O ATOM 513 CB SER A 165 14.910 6.755 4.448 1.00 0.00 C ATOM 514 OG SER A 165 14.424 5.585 3.804 1.00 0.00 O ATOM 0 H SER A 165 13.302 8.302 3.353 1.00 0.00 H new ATOM 0 HA SER A 165 13.191 6.670 5.738 1.00 0.00 H new ATOM 0 HB2 SER A 165 15.330 7.441 3.713 1.00 0.00 H new ATOM 0 HB3 SER A 165 15.713 6.497 5.138 1.00 0.00 H new ATOM 0 HG SER A 165 15.156 5.151 3.318 1.00 0.00 H new ATOM 520 N LYS A 166 15.321 8.002 6.975 1.00 0.00 N ATOM 521 CA LYS A 166 15.928 8.871 7.977 1.00 0.00 C ATOM 522 C LYS A 166 16.688 10.012 7.304 1.00 0.00 C ATOM 523 O LYS A 166 16.776 11.115 7.844 1.00 0.00 O ATOM 524 CB LYS A 166 16.886 8.062 8.862 1.00 0.00 C ATOM 525 CG LYS A 166 16.087 7.237 9.879 1.00 0.00 C ATOM 526 CD LYS A 166 15.028 6.403 9.151 1.00 0.00 C ATOM 527 CE LYS A 166 14.525 5.293 10.078 1.00 0.00 C ATOM 528 NZ LYS A 166 13.472 4.502 9.378 1.00 0.00 N ATOM 0 H LYS A 166 15.728 7.069 6.918 1.00 0.00 H new ATOM 0 HA LYS A 166 15.136 9.293 8.596 1.00 0.00 H new ATOM 0 HB2 LYS A 166 17.496 7.402 8.245 1.00 0.00 H new ATOM 0 HB3 LYS A 166 17.569 8.734 9.382 1.00 0.00 H new ATOM 0 HG2 LYS A 166 16.757 6.584 10.438 1.00 0.00 H new ATOM 0 HG3 LYS A 166 15.609 7.898 10.602 1.00 0.00 H new ATOM 0 HD2 LYS A 166 14.198 7.039 8.844 1.00 0.00 H new ATOM 0 HD3 LYS A 166 15.451 5.970 8.244 1.00 0.00 H new ATOM 0 HE2 LYS A 166 15.351 4.643 10.367 1.00 0.00 H new ATOM 0 HE3 LYS A 166 14.122 5.724 10.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 13.129 3.748 10.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 12.680 5.127 9.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 13.871 4.079 8.516 1.00 0.00 H new ATOM 542 N GLY A 167 17.237 9.737 6.122 1.00 0.00 N ATOM 543 CA GLY A 167 17.992 10.745 5.379 1.00 0.00 C ATOM 544 C GLY A 167 17.095 11.488 4.393 1.00 0.00 C ATOM 545 O GLY A 167 17.523 11.839 3.295 1.00 0.00 O ATOM 0 H GLY A 167 17.174 8.830 5.660 1.00 0.00 H new ATOM 0 HA2 GLY A 167 18.439 11.455 6.075 1.00 0.00 H new ATOM 0 HA3 GLY A 167 18.811 10.267 4.841 1.00 0.00 H new ATOM 549 N ASN A 168 15.848 11.724 4.792 1.00 0.00 N ATOM 550 CA ASN A 168 14.901 12.427 3.931 1.00 0.00 C ATOM 551 C ASN A 168 14.974 11.893 2.503 1.00 0.00 C ATOM 552 O ASN A 168 14.922 12.655 1.539 1.00 0.00 O ATOM 553 CB ASN A 168 15.209 13.927 3.932 1.00 0.00 C ATOM 554 CG ASN A 168 15.136 14.472 5.354 1.00 0.00 C ATOM 555 OD1 ASN A 168 16.099 15.065 5.841 1.00 0.00 O ATOM 556 ND2 ASN A 168 14.046 14.307 6.051 1.00 0.00 N ATOM 0 H ASN A 168 15.472 11.442 5.697 1.00 0.00 H new ATOM 0 HA ASN A 168 13.896 12.261 4.318 1.00 0.00 H new ATOM 0 HB2 ASN A 168 16.201 14.103 3.516 1.00 0.00 H new ATOM 0 HB3 ASN A 168 14.498 14.453 3.295 1.00 0.00 H new ATOM 0 HD21 ASN A 168 13.989 14.670 7.003 1.00 0.00 H new ATOM 0 HD22 ASN A 168 13.250 13.815 5.644 1.00 0.00 H new ATOM 563 N LYS A 169 15.095 10.573 2.380 1.00 0.00 N ATOM 564 CA LYS A 169 15.178 9.932 1.069 1.00 0.00 C ATOM 565 C LYS A 169 13.770 9.682 0.515 1.00 0.00 C ATOM 566 O LYS A 169 12.787 10.198 1.044 1.00 0.00 O ATOM 567 CB LYS A 169 15.962 8.604 1.198 1.00 0.00 C ATOM 568 CG LYS A 169 16.929 8.425 0.014 1.00 0.00 C ATOM 569 CD LYS A 169 17.350 6.955 -0.093 1.00 0.00 C ATOM 570 CE LYS A 169 18.129 6.556 1.163 1.00 0.00 C ATOM 571 NZ LYS A 169 18.816 5.254 0.927 1.00 0.00 N ATOM 0 H LYS A 169 15.138 9.928 3.169 1.00 0.00 H new ATOM 0 HA LYS A 169 15.704 10.586 0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 169 16.520 8.595 2.134 1.00 0.00 H new ATOM 0 HB3 LYS A 169 15.265 7.767 1.234 1.00 0.00 H new ATOM 0 HG2 LYS A 169 16.449 8.744 -0.911 1.00 0.00 H new ATOM 0 HG3 LYS A 169 17.807 9.056 0.151 1.00 0.00 H new ATOM 0 HD2 LYS A 169 16.471 6.321 -0.206 1.00 0.00 H new ATOM 0 HD3 LYS A 169 17.966 6.805 -0.979 1.00 0.00 H new ATOM 0 HE2 LYS A 169 18.860 7.326 1.411 1.00 0.00 H new ATOM 0 HE3 LYS A 169 17.452 6.474 2.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 19.346 4.981 1.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 18.109 4.523 0.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 19.473 5.348 0.126 1.00 0.00 H new ATOM 585 N ASP A 170 13.682 8.888 -0.552 1.00 0.00 N ATOM 586 CA ASP A 170 12.393 8.571 -1.175 1.00 0.00 C ATOM 587 C ASP A 170 12.248 7.066 -1.354 1.00 0.00 C ATOM 588 O ASP A 170 13.240 6.337 -1.394 1.00 0.00 O ATOM 589 CB ASP A 170 12.294 9.260 -2.538 1.00 0.00 C ATOM 590 CG ASP A 170 10.849 9.249 -3.026 1.00 0.00 C ATOM 591 OD1 ASP A 170 10.042 9.953 -2.442 1.00 0.00 O ATOM 592 OD2 ASP A 170 10.572 8.539 -3.978 1.00 0.00 O ATOM 0 H ASP A 170 14.486 8.452 -1.004 1.00 0.00 H new ATOM 0 HA ASP A 170 11.593 8.929 -0.526 1.00 0.00 H new ATOM 0 HB2 ASP A 170 12.653 10.286 -2.462 1.00 0.00 H new ATOM 0 HB3 ASP A 170 12.934 8.751 -3.259 1.00 0.00 H new ATOM 597 N MET A 171 11.004 6.600 -1.462 1.00 0.00 N ATOM 598 CA MET A 171 10.737 5.172 -1.635 1.00 0.00 C ATOM 599 C MET A 171 9.471 4.955 -2.458 1.00 0.00 C ATOM 600 O MET A 171 8.465 5.635 -2.259 1.00 0.00 O ATOM 601 CB MET A 171 10.568 4.501 -0.268 1.00 0.00 C ATOM 602 CG MET A 171 11.800 4.769 0.599 1.00 0.00 C ATOM 603 SD MET A 171 11.739 3.730 2.082 1.00 0.00 S ATOM 604 CE MET A 171 11.940 2.123 1.270 1.00 0.00 C ATOM 0 H MET A 171 10.170 7.186 -1.433 1.00 0.00 H new ATOM 0 HA MET A 171 11.583 4.730 -2.161 1.00 0.00 H new ATOM 0 HB2 MET A 171 9.675 4.883 0.226 1.00 0.00 H new ATOM 0 HB3 MET A 171 10.428 3.427 -0.395 1.00 0.00 H new ATOM 0 HG2 MET A 171 12.708 4.559 0.033 1.00 0.00 H new ATOM 0 HG3 MET A 171 11.836 5.821 0.881 1.00 0.00 H new ATOM 0 HE1 MET A 171 12.247 1.380 2.006 1.00 0.00 H new ATOM 0 HE2 MET A 171 10.993 1.821 0.822 1.00 0.00 H new ATOM 0 HE3 MET A 171 12.701 2.201 0.493 1.00 0.00 H new ATOM 614 N ILE A 172 9.527 3.992 -3.376 1.00 0.00 N ATOM 615 CA ILE A 172 8.377 3.671 -4.219 1.00 0.00 C ATOM 616 C ILE A 172 7.548 2.580 -3.559 1.00 0.00 C ATOM 617 O ILE A 172 7.807 2.210 -2.416 1.00 0.00 O ATOM 618 CB ILE A 172 8.847 3.202 -5.606 1.00 0.00 C ATOM 619 CG1 ILE A 172 9.647 1.891 -5.498 1.00 0.00 C ATOM 620 CG2 ILE A 172 9.744 4.277 -6.224 1.00 0.00 C ATOM 621 CD1 ILE A 172 9.931 1.352 -6.901 1.00 0.00 C ATOM 0 H ILE A 172 10.354 3.422 -3.555 1.00 0.00 H new ATOM 0 HA ILE A 172 7.767 4.566 -4.340 1.00 0.00 H new ATOM 0 HB ILE A 172 7.969 3.031 -6.229 1.00 0.00 H new ATOM 0 HG12 ILE A 172 10.583 2.066 -4.967 1.00 0.00 H new ATOM 0 HG13 ILE A 172 9.086 1.156 -4.921 1.00 0.00 H new ATOM 0 HG21 ILE A 172 10.080 3.949 -7.208 1.00 0.00 H new ATOM 0 HG22 ILE A 172 9.183 5.206 -6.323 1.00 0.00 H new ATOM 0 HG23 ILE A 172 10.609 4.442 -5.582 1.00 0.00 H new ATOM 0 HD11 ILE A 172 10.497 0.424 -6.826 1.00 0.00 H new ATOM 0 HD12 ILE A 172 8.989 1.162 -7.415 1.00 0.00 H new ATOM 0 HD13 ILE A 172 10.509 2.086 -7.462 1.00 0.00 H new ATOM 633 N VAL A 173 6.567 2.050 -4.288 1.00 0.00 N ATOM 634 CA VAL A 173 5.719 0.971 -3.773 1.00 0.00 C ATOM 635 C VAL A 173 5.973 -0.300 -4.576 1.00 0.00 C ATOM 636 O VAL A 173 5.597 -0.400 -5.745 1.00 0.00 O ATOM 637 CB VAL A 173 4.238 1.368 -3.853 1.00 0.00 C ATOM 638 CG1 VAL A 173 3.359 0.151 -3.537 1.00 0.00 C ATOM 639 CG2 VAL A 173 3.947 2.484 -2.836 1.00 0.00 C ATOM 0 H VAL A 173 6.338 2.348 -5.236 1.00 0.00 H new ATOM 0 HA VAL A 173 5.966 0.790 -2.727 1.00 0.00 H new ATOM 0 HB VAL A 173 4.017 1.725 -4.859 1.00 0.00 H new ATOM 0 HG11 VAL A 173 2.309 0.436 -3.595 1.00 0.00 H new ATOM 0 HG12 VAL A 173 3.560 -0.640 -4.259 1.00 0.00 H new ATOM 0 HG13 VAL A 173 3.583 -0.209 -2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 173 2.895 2.764 -2.894 1.00 0.00 H new ATOM 0 HG22 VAL A 173 4.172 2.128 -1.831 1.00 0.00 H new ATOM 0 HG23 VAL A 173 4.567 3.352 -3.061 1.00 0.00 H new ATOM 649 N ARG A 174 6.632 -1.258 -3.937 1.00 0.00 N ATOM 650 CA ARG A 174 6.962 -2.521 -4.584 1.00 0.00 C ATOM 651 C ARG A 174 5.725 -3.418 -4.691 1.00 0.00 C ATOM 652 O ARG A 174 5.354 -3.843 -5.786 1.00 0.00 O ATOM 653 CB ARG A 174 8.095 -3.208 -3.785 1.00 0.00 C ATOM 654 CG ARG A 174 8.014 -4.738 -3.895 1.00 0.00 C ATOM 655 CD ARG A 174 9.352 -5.353 -3.484 1.00 0.00 C ATOM 656 NE ARG A 174 10.380 -5.037 -4.469 1.00 0.00 N ATOM 657 CZ ARG A 174 11.639 -5.429 -4.301 1.00 0.00 C ATOM 658 NH1 ARG A 174 11.972 -6.114 -3.240 1.00 0.00 N ATOM 659 NH2 ARG A 174 12.540 -5.131 -5.194 1.00 0.00 N ATOM 0 H ARG A 174 6.949 -1.184 -2.970 1.00 0.00 H new ATOM 0 HA ARG A 174 7.307 -2.335 -5.601 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.062 -2.866 -4.155 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.033 -2.914 -2.737 1.00 0.00 H new ATOM 0 HG2 ARG A 174 7.216 -5.117 -3.256 1.00 0.00 H new ATOM 0 HG3 ARG A 174 7.768 -5.027 -4.917 1.00 0.00 H new ATOM 0 HD2 ARG A 174 9.648 -4.975 -2.506 1.00 0.00 H new ATOM 0 HD3 ARG A 174 9.249 -6.434 -3.390 1.00 0.00 H new ATOM 0 HE ARG A 174 10.128 -4.505 -5.302 1.00 0.00 H new ATOM 0 HH11 ARG A 174 11.266 -6.348 -2.542 1.00 0.00 H new ATOM 0 HH12 ARG A 174 12.938 -6.415 -3.110 1.00 0.00 H new ATOM 0 HH21 ARG A 174 12.279 -4.596 -6.023 1.00 0.00 H new ATOM 0 HH22 ARG A 174 13.506 -5.432 -5.064 1.00 0.00 H new ATOM 673 N SER A 175 5.098 -3.712 -3.552 1.00 0.00 N ATOM 674 CA SER A 175 3.908 -4.572 -3.529 1.00 0.00 C ATOM 675 C SER A 175 2.681 -3.792 -3.071 1.00 0.00 C ATOM 676 O SER A 175 2.799 -2.685 -2.543 1.00 0.00 O ATOM 677 CB SER A 175 4.142 -5.755 -2.586 1.00 0.00 C ATOM 678 OG SER A 175 3.217 -6.789 -2.893 1.00 0.00 O ATOM 0 H SER A 175 5.390 -3.371 -2.636 1.00 0.00 H new ATOM 0 HA SER A 175 3.730 -4.937 -4.541 1.00 0.00 H new ATOM 0 HB2 SER A 175 5.163 -6.122 -2.690 1.00 0.00 H new ATOM 0 HB3 SER A 175 4.021 -5.439 -1.550 1.00 0.00 H new ATOM 0 HG SER A 175 3.365 -7.549 -2.292 1.00 0.00 H new ATOM 684 N PHE A 176 1.504 -4.376 -3.274 1.00 0.00 N ATOM 685 CA PHE A 176 0.265 -3.725 -2.874 1.00 0.00 C ATOM 686 C PHE A 176 -0.917 -4.693 -2.983 1.00 0.00 C ATOM 687 O PHE A 176 -1.091 -5.375 -3.991 1.00 0.00 O ATOM 688 CB PHE A 176 0.043 -2.469 -3.743 1.00 0.00 C ATOM 689 CG PHE A 176 -1.418 -2.068 -3.760 1.00 0.00 C ATOM 690 CD1 PHE A 176 -1.939 -1.279 -2.731 1.00 0.00 C ATOM 691 CD2 PHE A 176 -2.252 -2.488 -4.802 1.00 0.00 C ATOM 692 CE1 PHE A 176 -3.283 -0.914 -2.736 1.00 0.00 C ATOM 693 CE2 PHE A 176 -3.602 -2.117 -4.810 1.00 0.00 C ATOM 694 CZ PHE A 176 -4.119 -1.330 -3.773 1.00 0.00 C ATOM 0 H PHE A 176 1.384 -5.291 -3.709 1.00 0.00 H new ATOM 0 HA PHE A 176 0.339 -3.420 -1.830 1.00 0.00 H new ATOM 0 HB2 PHE A 176 0.645 -1.646 -3.358 1.00 0.00 H new ATOM 0 HB3 PHE A 176 0.382 -2.663 -4.761 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.296 -0.951 -1.928 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -1.855 -3.098 -5.600 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -3.679 -0.307 -1.935 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -4.245 -2.438 -5.616 1.00 0.00 H new ATOM 0 HZ PHE A 176 -5.161 -1.046 -3.776 1.00 0.00 H new ATOM 704 N ALA A 177 -1.719 -4.732 -1.924 1.00 0.00 N ATOM 705 CA ALA A 177 -2.893 -5.606 -1.875 1.00 0.00 C ATOM 706 C ALA A 177 -3.781 -5.201 -0.704 1.00 0.00 C ATOM 707 O ALA A 177 -3.274 -4.848 0.352 1.00 0.00 O ATOM 708 CB ALA A 177 -2.457 -7.061 -1.704 1.00 0.00 C ATOM 0 H ALA A 177 -1.580 -4.169 -1.085 1.00 0.00 H new ATOM 0 HA ALA A 177 -3.449 -5.508 -2.808 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -3.337 -7.703 -1.669 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.828 -7.354 -2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -1.894 -7.166 -0.776 1.00 0.00 H new ATOM 714 N VAL A 178 -5.099 -5.244 -0.889 1.00 0.00 N ATOM 715 CA VAL A 178 -6.007 -4.849 0.190 1.00 0.00 C ATOM 716 C VAL A 178 -5.948 -5.845 1.344 1.00 0.00 C ATOM 717 O VAL A 178 -5.423 -6.950 1.195 1.00 0.00 O ATOM 718 CB VAL A 178 -7.446 -4.718 -0.325 1.00 0.00 C ATOM 719 CG1 VAL A 178 -7.536 -3.527 -1.286 1.00 0.00 C ATOM 720 CG2 VAL A 178 -7.869 -6.002 -1.052 1.00 0.00 C ATOM 0 H VAL A 178 -5.555 -5.540 -1.752 1.00 0.00 H new ATOM 0 HA VAL A 178 -5.682 -3.876 0.557 1.00 0.00 H new ATOM 0 HB VAL A 178 -8.114 -4.558 0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 178 -8.558 -3.432 -1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 178 -7.253 -2.614 -0.762 1.00 0.00 H new ATOM 0 HG13 VAL A 178 -6.862 -3.687 -2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 178 -8.892 -5.896 -1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 178 -7.203 -6.178 -1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 178 -7.813 -6.845 -0.364 1.00 0.00 H new ATOM 730 N LEU A 179 -6.456 -5.431 2.511 1.00 0.00 N ATOM 731 CA LEU A 179 -6.424 -6.277 3.709 1.00 0.00 C ATOM 732 C LEU A 179 -7.820 -6.735 4.132 1.00 0.00 C ATOM 733 O LEU A 179 -8.354 -7.713 3.608 1.00 0.00 O ATOM 734 CB LEU A 179 -5.789 -5.499 4.876 1.00 0.00 C ATOM 735 CG LEU A 179 -4.260 -5.392 4.710 1.00 0.00 C ATOM 736 CD1 LEU A 179 -3.673 -4.486 5.832 1.00 0.00 C ATOM 737 CD2 LEU A 179 -3.622 -6.808 4.754 1.00 0.00 C ATOM 0 H LEU A 179 -6.892 -4.520 2.651 1.00 0.00 H new ATOM 0 HA LEU A 179 -5.834 -7.160 3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 179 -6.222 -4.500 4.929 1.00 0.00 H new ATOM 0 HB3 LEU A 179 -6.021 -5.997 5.817 1.00 0.00 H new ATOM 0 HG LEU A 179 -4.030 -4.942 3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 179 -2.592 -4.412 5.712 1.00 0.00 H new ATOM 0 HD12 LEU A 179 -4.114 -3.492 5.765 1.00 0.00 H new ATOM 0 HD13 LEU A 179 -3.901 -4.919 6.806 1.00 0.00 H new ATOM 0 HD21 LEU A 179 -2.542 -6.724 4.636 1.00 0.00 H new ATOM 0 HD22 LEU A 179 -3.847 -7.279 5.711 1.00 0.00 H new ATOM 0 HD23 LEU A 179 -4.029 -7.416 3.946 1.00 0.00 H new ATOM 749 N GLU A 180 -8.376 -6.038 5.119 1.00 0.00 N ATOM 750 CA GLU A 180 -9.686 -6.393 5.660 1.00 0.00 C ATOM 751 C GLU A 180 -10.815 -6.047 4.681 1.00 0.00 C ATOM 752 O GLU A 180 -10.728 -5.052 3.960 1.00 0.00 O ATOM 753 CB GLU A 180 -9.913 -5.650 6.977 1.00 0.00 C ATOM 754 CG GLU A 180 -9.004 -6.235 8.060 1.00 0.00 C ATOM 755 CD GLU A 180 -8.995 -5.322 9.281 1.00 0.00 C ATOM 756 OE1 GLU A 180 -10.049 -4.817 9.628 1.00 0.00 O ATOM 757 OE2 GLU A 180 -7.931 -5.141 9.851 1.00 0.00 O ATOM 0 H GLU A 180 -7.942 -5.227 5.560 1.00 0.00 H new ATOM 0 HA GLU A 180 -9.700 -7.470 5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -9.704 -4.588 6.848 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -10.957 -5.735 7.279 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -9.352 -7.229 8.341 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -7.991 -6.350 7.674 1.00 0.00 H new ATOM 764 N PRO A 181 -11.874 -6.833 4.647 1.00 0.00 N ATOM 765 CA PRO A 181 -13.032 -6.577 3.741 1.00 0.00 C ATOM 766 C PRO A 181 -13.985 -5.504 4.283 1.00 0.00 C ATOM 767 O PRO A 181 -14.188 -5.379 5.490 1.00 0.00 O ATOM 768 CB PRO A 181 -13.729 -7.939 3.691 1.00 0.00 C ATOM 769 CG PRO A 181 -13.501 -8.505 5.051 1.00 0.00 C ATOM 770 CD PRO A 181 -12.093 -8.057 5.452 1.00 0.00 C ATOM 0 HA PRO A 181 -12.717 -6.198 2.769 1.00 0.00 H new ATOM 0 HB2 PRO A 181 -14.792 -7.837 3.473 1.00 0.00 H new ATOM 0 HB3 PRO A 181 -13.305 -8.577 2.916 1.00 0.00 H new ATOM 0 HG2 PRO A 181 -14.245 -8.139 5.758 1.00 0.00 H new ATOM 0 HG3 PRO A 181 -13.579 -9.592 5.041 1.00 0.00 H new ATOM 0 HD2 PRO A 181 -12.027 -7.851 6.520 1.00 0.00 H new ATOM 0 HD3 PRO A 181 -11.350 -8.822 5.228 1.00 0.00 H new ATOM 778 N CYS A 182 -14.568 -4.753 3.359 1.00 0.00 N ATOM 779 CA CYS A 182 -15.524 -3.685 3.673 1.00 0.00 C ATOM 780 C CYS A 182 -16.719 -3.821 2.731 1.00 0.00 C ATOM 781 O CYS A 182 -16.849 -4.837 2.049 1.00 0.00 O ATOM 782 CB CYS A 182 -14.863 -2.313 3.516 1.00 0.00 C ATOM 783 SG CYS A 182 -15.677 -1.076 4.554 1.00 0.00 S ATOM 0 H CYS A 182 -14.393 -4.864 2.360 1.00 0.00 H new ATOM 0 HA CYS A 182 -15.858 -3.773 4.707 1.00 0.00 H new ATOM 0 HB2 CYS A 182 -13.809 -2.381 3.785 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -14.907 -2.002 2.472 1.00 0.00 H new ATOM 788 N ALA A 183 -17.596 -2.818 2.717 1.00 0.00 N ATOM 789 CA ALA A 183 -18.789 -2.851 1.861 1.00 0.00 C ATOM 790 C ALA A 183 -18.515 -3.553 0.523 1.00 0.00 C ATOM 791 O ALA A 183 -17.364 -3.715 0.122 1.00 0.00 O ATOM 792 CB ALA A 183 -19.267 -1.423 1.591 1.00 0.00 C ATOM 0 H ALA A 183 -17.507 -1.975 3.284 1.00 0.00 H new ATOM 0 HA ALA A 183 -19.558 -3.416 2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 183 -20.152 -1.450 0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 183 -19.512 -0.937 2.535 1.00 0.00 H new ATOM 0 HB3 ALA A 183 -18.477 -0.864 1.089 1.00 0.00 H new ATOM 798 N LEU A 184 -19.600 -3.971 -0.137 1.00 0.00 N ATOM 799 CA LEU A 184 -19.544 -4.691 -1.425 1.00 0.00 C ATOM 800 C LEU A 184 -18.179 -4.589 -2.118 1.00 0.00 C ATOM 801 O LEU A 184 -17.472 -5.589 -2.249 1.00 0.00 O ATOM 802 CB LEU A 184 -20.642 -4.141 -2.353 1.00 0.00 C ATOM 803 CG LEU A 184 -21.109 -5.209 -3.365 1.00 0.00 C ATOM 804 CD1 LEU A 184 -19.906 -5.762 -4.139 1.00 0.00 C ATOM 805 CD2 LEU A 184 -21.846 -6.361 -2.647 1.00 0.00 C ATOM 0 H LEU A 184 -20.549 -3.821 0.204 1.00 0.00 H new ATOM 0 HA LEU A 184 -19.705 -5.748 -1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -21.491 -3.806 -1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -20.265 -3.270 -2.889 1.00 0.00 H new ATOM 0 HG LEU A 184 -21.801 -4.739 -4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -20.246 -6.515 -4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -19.415 -4.951 -4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -19.201 -6.214 -3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -22.166 -7.101 -3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -21.175 -6.830 -1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -22.718 -5.966 -2.126 1.00 0.00 H new ATOM 817 N ASP A 185 -17.814 -3.387 -2.565 1.00 0.00 N ATOM 818 CA ASP A 185 -16.532 -3.178 -3.254 1.00 0.00 C ATOM 819 C ASP A 185 -15.672 -2.181 -2.489 1.00 0.00 C ATOM 820 O ASP A 185 -15.438 -1.066 -2.954 1.00 0.00 O ATOM 821 CB ASP A 185 -16.782 -2.650 -4.667 1.00 0.00 C ATOM 822 CG ASP A 185 -17.496 -1.304 -4.602 1.00 0.00 C ATOM 823 OD1 ASP A 185 -18.677 -1.295 -4.301 1.00 0.00 O ATOM 824 OD2 ASP A 185 -16.849 -0.301 -4.853 1.00 0.00 O ATOM 0 H ASP A 185 -18.381 -2.545 -2.465 1.00 0.00 H new ATOM 0 HA ASP A 185 -16.008 -4.133 -3.306 1.00 0.00 H new ATOM 0 HB2 ASP A 185 -15.836 -2.544 -5.197 1.00 0.00 H new ATOM 0 HB3 ASP A 185 -17.384 -3.364 -5.230 1.00 0.00 H new ATOM 829 N MET A 186 -15.212 -2.588 -1.309 1.00 0.00 N ATOM 830 CA MET A 186 -14.393 -1.719 -0.474 1.00 0.00 C ATOM 831 C MET A 186 -13.578 -2.533 0.530 1.00 0.00 C ATOM 832 O MET A 186 -13.883 -3.697 0.791 1.00 0.00 O ATOM 833 CB MET A 186 -15.285 -0.712 0.267 1.00 0.00 C ATOM 834 CG MET A 186 -15.825 0.349 -0.701 1.00 0.00 C ATOM 835 SD MET A 186 -16.358 1.799 0.246 1.00 0.00 S ATOM 836 CE MET A 186 -15.962 3.051 -1.000 1.00 0.00 C ATOM 0 H MET A 186 -15.392 -3.510 -0.912 1.00 0.00 H new ATOM 0 HA MET A 186 -13.699 -1.180 -1.119 1.00 0.00 H new ATOM 0 HB2 MET A 186 -16.115 -1.235 0.742 1.00 0.00 H new ATOM 0 HB3 MET A 186 -14.716 -0.230 1.062 1.00 0.00 H new ATOM 0 HG2 MET A 186 -15.054 0.631 -1.418 1.00 0.00 H new ATOM 0 HG3 MET A 186 -16.660 -0.054 -1.273 1.00 0.00 H new ATOM 0 HE1 MET A 186 -16.099 4.045 -0.574 1.00 0.00 H new ATOM 0 HE2 MET A 186 -14.926 2.932 -1.319 1.00 0.00 H new ATOM 0 HE3 MET A 186 -16.622 2.931 -1.859 1.00 0.00 H new ATOM 846 N PHE A 187 -12.537 -1.908 1.095 1.00 0.00 N ATOM 847 CA PHE A 187 -11.675 -2.574 2.081 1.00 0.00 C ATOM 848 C PHE A 187 -11.416 -1.664 3.285 1.00 0.00 C ATOM 849 O PHE A 187 -11.114 -0.480 3.129 1.00 0.00 O ATOM 850 CB PHE A 187 -10.359 -2.954 1.412 1.00 0.00 C ATOM 851 CG PHE A 187 -10.677 -3.887 0.277 1.00 0.00 C ATOM 852 CD1 PHE A 187 -10.786 -5.262 0.515 1.00 0.00 C ATOM 853 CD2 PHE A 187 -10.897 -3.377 -1.006 1.00 0.00 C ATOM 854 CE1 PHE A 187 -11.108 -6.127 -0.533 1.00 0.00 C ATOM 855 CE2 PHE A 187 -11.224 -4.241 -2.054 1.00 0.00 C ATOM 856 CZ PHE A 187 -11.330 -5.617 -1.819 1.00 0.00 C ATOM 0 H PHE A 187 -12.272 -0.945 0.887 1.00 0.00 H new ATOM 0 HA PHE A 187 -12.176 -3.471 2.445 1.00 0.00 H new ATOM 0 HB2 PHE A 187 -9.846 -2.065 1.044 1.00 0.00 H new ATOM 0 HB3 PHE A 187 -9.691 -3.435 2.127 1.00 0.00 H new ATOM 0 HD1 PHE A 187 -10.621 -5.654 1.508 1.00 0.00 H new ATOM 0 HD2 PHE A 187 -10.814 -2.315 -1.187 1.00 0.00 H new ATOM 0 HE1 PHE A 187 -11.186 -7.189 -0.352 1.00 0.00 H new ATOM 0 HE2 PHE A 187 -11.395 -3.848 -3.045 1.00 0.00 H new ATOM 0 HZ PHE A 187 -11.583 -6.285 -2.629 1.00 0.00 H new ATOM 866 N THR A 188 -11.566 -2.225 4.488 1.00 0.00 N ATOM 867 CA THR A 188 -11.377 -1.453 5.719 1.00 0.00 C ATOM 868 C THR A 188 -9.912 -1.053 5.897 1.00 0.00 C ATOM 869 O THR A 188 -9.600 -0.150 6.673 1.00 0.00 O ATOM 870 CB THR A 188 -11.843 -2.253 6.963 1.00 0.00 C ATOM 871 OG1 THR A 188 -10.714 -2.691 7.707 1.00 0.00 O ATOM 872 CG2 THR A 188 -12.669 -3.475 6.546 1.00 0.00 C ATOM 0 H THR A 188 -11.816 -3.203 4.636 1.00 0.00 H new ATOM 0 HA THR A 188 -11.986 -0.553 5.629 1.00 0.00 H new ATOM 0 HB THR A 188 -12.462 -1.597 7.576 1.00 0.00 H new ATOM 0 HG1 THR A 188 -10.968 -3.454 8.268 1.00 0.00 H new ATOM 0 HG21 THR A 188 -12.985 -4.021 7.435 1.00 0.00 H new ATOM 0 HG22 THR A 188 -13.547 -3.148 5.990 1.00 0.00 H new ATOM 0 HG23 THR A 188 -12.063 -4.126 5.917 1.00 0.00 H new ATOM 880 N GLY A 189 -9.018 -1.736 5.190 1.00 0.00 N ATOM 881 CA GLY A 189 -7.595 -1.442 5.301 1.00 0.00 C ATOM 882 C GLY A 189 -6.821 -2.046 4.140 1.00 0.00 C ATOM 883 O GLY A 189 -7.324 -2.922 3.439 1.00 0.00 O ATOM 0 H GLY A 189 -9.250 -2.488 4.541 1.00 0.00 H new ATOM 0 HA2 GLY A 189 -7.444 -0.363 5.321 1.00 0.00 H new ATOM 0 HA3 GLY A 189 -7.211 -1.835 6.242 1.00 0.00 H new ATOM 887 N VAL A 190 -5.593 -1.569 3.936 1.00 0.00 N ATOM 888 CA VAL A 190 -4.760 -2.075 2.843 1.00 0.00 C ATOM 889 C VAL A 190 -3.290 -2.169 3.243 1.00 0.00 C ATOM 890 O VAL A 190 -2.776 -1.325 3.978 1.00 0.00 O ATOM 891 CB VAL A 190 -4.914 -1.162 1.612 1.00 0.00 C ATOM 892 CG1 VAL A 190 -4.469 0.262 1.966 1.00 0.00 C ATOM 893 CG2 VAL A 190 -4.071 -1.694 0.422 1.00 0.00 C ATOM 0 H VAL A 190 -5.157 -0.843 4.504 1.00 0.00 H new ATOM 0 HA VAL A 190 -5.098 -3.083 2.602 1.00 0.00 H new ATOM 0 HB VAL A 190 -5.963 -1.154 1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 190 -4.579 0.905 1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 190 -5.086 0.645 2.779 1.00 0.00 H new ATOM 0 HG13 VAL A 190 -3.425 0.250 2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 190 -4.195 -1.033 -0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 190 -3.019 -1.725 0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 190 -4.406 -2.697 0.159 1.00 0.00 H new ATOM 903 N GLU A 191 -2.616 -3.204 2.736 1.00 0.00 N ATOM 904 CA GLU A 191 -1.194 -3.420 3.015 1.00 0.00 C ATOM 905 C GLU A 191 -0.371 -3.200 1.750 1.00 0.00 C ATOM 906 O GLU A 191 -0.787 -3.586 0.658 1.00 0.00 O ATOM 907 CB GLU A 191 -0.975 -4.842 3.553 1.00 0.00 C ATOM 908 CG GLU A 191 -1.237 -5.900 2.473 1.00 0.00 C ATOM 909 CD GLU A 191 -0.938 -7.288 3.032 1.00 0.00 C ATOM 910 OE1 GLU A 191 -0.060 -7.389 3.873 1.00 0.00 O ATOM 911 OE2 GLU A 191 -1.591 -8.228 2.609 1.00 0.00 O ATOM 0 H GLU A 191 -3.034 -3.908 2.128 1.00 0.00 H new ATOM 0 HA GLU A 191 -0.869 -2.705 3.770 1.00 0.00 H new ATOM 0 HB2 GLU A 191 0.047 -4.940 3.919 1.00 0.00 H new ATOM 0 HB3 GLU A 191 -1.636 -5.016 4.402 1.00 0.00 H new ATOM 0 HG2 GLU A 191 -2.274 -5.846 2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 191 -0.613 -5.706 1.601 1.00 0.00 H new ATOM 918 N PHE A 192 0.799 -2.584 1.900 1.00 0.00 N ATOM 919 CA PHE A 192 1.667 -2.331 0.753 1.00 0.00 C ATOM 920 C PHE A 192 3.124 -2.246 1.181 1.00 0.00 C ATOM 921 O PHE A 192 3.439 -1.777 2.273 1.00 0.00 O ATOM 922 CB PHE A 192 1.260 -1.039 0.037 1.00 0.00 C ATOM 923 CG PHE A 192 1.146 0.107 1.017 1.00 0.00 C ATOM 924 CD1 PHE A 192 0.067 0.163 1.910 1.00 0.00 C ATOM 925 CD2 PHE A 192 2.107 1.128 1.020 1.00 0.00 C ATOM 926 CE1 PHE A 192 -0.047 1.232 2.804 1.00 0.00 C ATOM 927 CE2 PHE A 192 1.990 2.199 1.913 1.00 0.00 C ATOM 928 CZ PHE A 192 0.914 2.249 2.807 1.00 0.00 C ATOM 0 H PHE A 192 1.165 -2.254 2.793 1.00 0.00 H new ATOM 0 HA PHE A 192 1.554 -3.167 0.063 1.00 0.00 H new ATOM 0 HB2 PHE A 192 1.996 -0.796 -0.729 1.00 0.00 H new ATOM 0 HB3 PHE A 192 0.307 -1.185 -0.471 1.00 0.00 H new ATOM 0 HD1 PHE A 192 -0.677 -0.620 1.907 1.00 0.00 H new ATOM 0 HD2 PHE A 192 2.939 1.088 0.332 1.00 0.00 H new ATOM 0 HE1 PHE A 192 -0.878 1.273 3.493 1.00 0.00 H new ATOM 0 HE2 PHE A 192 2.729 2.986 1.912 1.00 0.00 H new ATOM 0 HZ PHE A 192 0.826 3.073 3.499 1.00 0.00 H new ATOM 938 N VAL A 193 4.012 -2.712 0.303 1.00 0.00 N ATOM 939 CA VAL A 193 5.452 -2.697 0.584 1.00 0.00 C ATOM 940 C VAL A 193 6.125 -1.529 -0.125 1.00 0.00 C ATOM 941 O VAL A 193 5.690 -1.105 -1.195 1.00 0.00 O ATOM 942 CB VAL A 193 6.093 -4.008 0.114 1.00 0.00 C ATOM 943 CG1 VAL A 193 7.614 -3.939 0.304 1.00 0.00 C ATOM 944 CG2 VAL A 193 5.532 -5.171 0.935 1.00 0.00 C ATOM 0 H VAL A 193 3.764 -3.103 -0.606 1.00 0.00 H new ATOM 0 HA VAL A 193 5.588 -2.587 1.660 1.00 0.00 H new ATOM 0 HB VAL A 193 5.868 -4.161 -0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 193 8.065 -4.873 -0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 193 8.016 -3.111 -0.280 1.00 0.00 H new ATOM 0 HG13 VAL A 193 7.842 -3.784 1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 193 5.987 -6.104 0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 193 5.757 -5.014 1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 193 4.452 -5.225 0.799 1.00 0.00 H new ATOM 954 N CYS A 194 7.195 -1.018 0.480 1.00 0.00 N ATOM 955 CA CYS A 194 7.947 0.102 -0.092 1.00 0.00 C ATOM 956 C CYS A 194 9.383 -0.319 -0.381 1.00 0.00 C ATOM 957 O CYS A 194 9.919 -1.208 0.276 1.00 0.00 O ATOM 958 CB CYS A 194 7.952 1.280 0.883 1.00 0.00 C ATOM 959 SG CYS A 194 6.326 2.073 0.882 1.00 0.00 S ATOM 0 H CYS A 194 7.563 -1.361 1.367 1.00 0.00 H new ATOM 0 HA CYS A 194 7.467 0.402 -1.023 1.00 0.00 H new ATOM 0 HB2 CYS A 194 8.199 0.934 1.887 1.00 0.00 H new ATOM 0 HB3 CYS A 194 8.719 1.999 0.597 1.00 0.00 H new ATOM 964 N CYS A 195 10.008 0.329 -1.367 1.00 0.00 N ATOM 965 CA CYS A 195 11.392 0.010 -1.732 1.00 0.00 C ATOM 966 C CYS A 195 12.167 1.294 -2.077 1.00 0.00 C ATOM 967 O CYS A 195 11.590 2.235 -2.619 1.00 0.00 O ATOM 968 CB CYS A 195 11.393 -0.944 -2.931 1.00 0.00 C ATOM 969 SG CYS A 195 11.015 -2.621 -2.356 1.00 0.00 S ATOM 0 H CYS A 195 9.583 1.071 -1.923 1.00 0.00 H new ATOM 0 HA CYS A 195 11.883 -0.470 -0.885 1.00 0.00 H new ATOM 0 HB2 CYS A 195 10.655 -0.624 -3.667 1.00 0.00 H new ATOM 0 HB3 CYS A 195 12.365 -0.926 -3.425 1.00 0.00 H new ATOM 974 N PRO A 196 13.451 1.359 -1.774 1.00 0.00 N ATOM 975 CA PRO A 196 14.283 2.572 -2.063 1.00 0.00 C ATOM 976 C PRO A 196 14.654 2.689 -3.542 1.00 0.00 C ATOM 977 O PRO A 196 15.441 3.553 -3.926 1.00 0.00 O ATOM 978 CB PRO A 196 15.530 2.348 -1.202 1.00 0.00 C ATOM 979 CG PRO A 196 15.682 0.864 -1.156 1.00 0.00 C ATOM 980 CD PRO A 196 14.258 0.304 -1.126 1.00 0.00 C ATOM 0 HA PRO A 196 13.754 3.499 -1.839 1.00 0.00 H new ATOM 0 HB2 PRO A 196 16.407 2.825 -1.640 1.00 0.00 H new ATOM 0 HB3 PRO A 196 15.405 2.767 -0.203 1.00 0.00 H new ATOM 0 HG2 PRO A 196 16.228 0.499 -2.026 1.00 0.00 H new ATOM 0 HG3 PRO A 196 16.243 0.555 -0.274 1.00 0.00 H new ATOM 0 HD2 PRO A 196 14.188 -0.641 -1.665 1.00 0.00 H new ATOM 0 HD3 PRO A 196 13.924 0.115 -0.106 1.00 0.00 H new ATOM 988 N ASN A 197 14.082 1.818 -4.364 1.00 0.00 N ATOM 989 CA ASN A 197 14.365 1.839 -5.794 1.00 0.00 C ATOM 990 C ASN A 197 14.271 3.264 -6.334 1.00 0.00 C ATOM 991 O ASN A 197 13.466 4.020 -5.816 1.00 0.00 O ATOM 992 CB ASN A 197 13.367 0.938 -6.526 1.00 0.00 C ATOM 993 CG ASN A 197 13.758 -0.527 -6.374 1.00 0.00 C ATOM 994 OD1 ASN A 197 14.869 -0.837 -5.943 1.00 0.00 O ATOM 995 ND2 ASN A 197 12.902 -1.453 -6.705 1.00 0.00 N ATOM 996 OXT ASN A 197 15.005 3.577 -7.257 1.00 0.00 O ATOM 0 H ASN A 197 13.426 1.095 -4.069 1.00 0.00 H new ATOM 0 HA ASN A 197 15.377 1.471 -5.960 1.00 0.00 H new ATOM 0 HB2 ASN A 197 12.365 1.096 -6.127 1.00 0.00 H new ATOM 0 HB3 ASN A 197 13.335 1.204 -7.583 1.00 0.00 H new ATOM 0 HD21 ASN A 197 13.152 -2.437 -6.607 1.00 0.00 H new ATOM 0 HD22 ASN A 197 11.982 -1.193 -7.062 1.00 0.00 H new TER 1003 ASN A 197