USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=14 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 : no HD1:sc= -0.283 K(o=-3.4,f=-1.4) USER MOD Set 1.2: A 141 ASN : amide:sc= -3.13! K(o=-3.4!,f=-1.4) USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= 0.0319 USER MOD Single : A 145 GLN : amide:sc= -8.65! C(o=-8.6!,f=-8.8!) USER MOD Single : A 147 ASN : amide:sc= 0.343 K(o=0.34,f=-0.78) USER MOD Single : A 149 TYR OH : rot -101:sc= 0.0288 USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 151 HIS : no HD1:sc= -8.7! C(o=-8.7!,f=-9!) USER MOD Single : A 153 LYS NZ :NH3+ 157:sc= -0.0469 (180deg=-0.395) USER MOD Single : A 158 LYS NZ :NH3+ 143:sc= -3.52! (180deg=-6.03!) USER MOD Single : A 159 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.072) USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 LYS NZ :NH3+ 155:sc= -0.0466 (180deg=-0.335) USER MOD Single : A 164 LYS NZ :NH3+ 139:sc= 0.00983 (180deg=0) USER MOD Single : A 165 SER OG : rot 180:sc= -0.194! USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 ASN : amide:sc= -0.0321 X(o=-0.032,f=0) USER MOD Single : A 169 LYS NZ :NH3+ -157:sc= -0.231 (180deg=-1.01) USER MOD Single : A 171 MET CE :methyl 162:sc= -0.783 (180deg=-1.58!) USER MOD Single : A 175 SER OG : rot 180:sc= 0 USER MOD Single : A 186 MET CE :methyl -173:sc=-0.00695 (180deg=-0.0737) USER MOD Single : A 188 THR OG1 : rot 180:sc= -0.587 USER MOD Single : A 197 ASN : amide:sc= -0.0739 K(o=-0.074,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 133 18.909 0.428 3.048 1.00 0.00 N ATOM 2 CA GLU A 133 19.542 -0.883 3.367 1.00 0.00 C ATOM 3 C GLU A 133 18.688 -2.010 2.795 1.00 0.00 C ATOM 4 O GLU A 133 19.208 -3.029 2.343 1.00 0.00 O ATOM 5 CB GLU A 133 19.658 -1.034 4.885 1.00 0.00 C ATOM 6 CG GLU A 133 20.633 0.012 5.429 1.00 0.00 C ATOM 7 CD GLU A 133 20.021 1.404 5.315 1.00 0.00 C ATOM 8 OE1 GLU A 133 18.879 1.562 5.716 1.00 0.00 O ATOM 9 OE2 GLU A 133 20.703 2.291 4.829 1.00 0.00 O ATOM 0 HA GLU A 133 20.537 -0.929 2.925 1.00 0.00 H new ATOM 0 HB2 GLU A 133 18.680 -0.911 5.349 1.00 0.00 H new ATOM 0 HB3 GLU A 133 20.006 -2.036 5.136 1.00 0.00 H new ATOM 0 HG2 GLU A 133 20.870 -0.206 6.470 1.00 0.00 H new ATOM 0 HG3 GLU A 133 21.570 -0.029 4.874 1.00 0.00 H new ATOM 18 N ALA A 134 17.373 -1.819 2.820 1.00 0.00 N ATOM 19 CA ALA A 134 16.454 -2.827 2.300 1.00 0.00 C ATOM 20 C ALA A 134 15.033 -2.277 2.242 1.00 0.00 C ATOM 21 O ALA A 134 14.735 -1.240 2.835 1.00 0.00 O ATOM 22 CB ALA A 134 16.487 -4.070 3.190 1.00 0.00 C ATOM 0 H ALA A 134 16.922 -0.983 3.191 1.00 0.00 H new ATOM 0 HA ALA A 134 16.769 -3.094 1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 134 15.799 -4.818 2.796 1.00 0.00 H new ATOM 0 HB2 ALA A 134 17.497 -4.479 3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 134 16.188 -3.800 4.203 1.00 0.00 H new ATOM 28 N CYS A 135 14.159 -2.978 1.526 1.00 0.00 N ATOM 29 CA CYS A 135 12.774 -2.548 1.400 1.00 0.00 C ATOM 30 C CYS A 135 12.086 -2.555 2.761 1.00 0.00 C ATOM 31 O CYS A 135 12.479 -3.299 3.659 1.00 0.00 O ATOM 32 CB CYS A 135 12.030 -3.467 0.426 1.00 0.00 C ATOM 33 SG CYS A 135 12.642 -3.171 -1.255 1.00 0.00 S ATOM 0 H CYS A 135 14.384 -3.839 1.028 1.00 0.00 H new ATOM 0 HA CYS A 135 12.757 -1.530 1.012 1.00 0.00 H new ATOM 0 HB2 CYS A 135 12.182 -4.510 0.703 1.00 0.00 H new ATOM 0 HB3 CYS A 135 10.958 -3.277 0.475 1.00 0.00 H new ATOM 38 N GLN A 136 11.062 -1.713 2.910 1.00 0.00 N ATOM 39 CA GLN A 136 10.321 -1.612 4.169 1.00 0.00 C ATOM 40 C GLN A 136 8.848 -1.926 3.945 1.00 0.00 C ATOM 41 O GLN A 136 8.341 -1.792 2.832 1.00 0.00 O ATOM 42 CB GLN A 136 10.460 -0.200 4.740 1.00 0.00 C ATOM 43 CG GLN A 136 11.911 0.045 5.154 1.00 0.00 C ATOM 44 CD GLN A 136 12.077 1.473 5.663 1.00 0.00 C ATOM 45 OE1 GLN A 136 11.373 1.889 6.583 1.00 0.00 O ATOM 46 NE2 GLN A 136 12.969 2.252 5.117 1.00 0.00 N ATOM 0 H GLN A 136 10.727 -1.091 2.174 1.00 0.00 H new ATOM 0 HA GLN A 136 10.733 -2.333 4.874 1.00 0.00 H new ATOM 0 HB2 GLN A 136 10.154 0.536 3.996 1.00 0.00 H new ATOM 0 HB3 GLN A 136 9.800 -0.078 5.599 1.00 0.00 H new ATOM 0 HG2 GLN A 136 12.200 -0.662 5.931 1.00 0.00 H new ATOM 0 HG3 GLN A 136 12.573 -0.126 4.305 1.00 0.00 H new ATOM 0 HE21 GLN A 136 13.551 1.905 4.355 1.00 0.00 H new ATOM 0 HE22 GLN A 136 13.085 3.208 5.452 1.00 0.00 H new ATOM 55 N PHE A 137 8.166 -2.351 5.007 1.00 0.00 N ATOM 56 CA PHE A 137 6.743 -2.692 4.920 1.00 0.00 C ATOM 57 C PHE A 137 5.894 -1.665 5.669 1.00 0.00 C ATOM 58 O PHE A 137 6.246 -1.233 6.766 1.00 0.00 O ATOM 59 CB PHE A 137 6.516 -4.090 5.510 1.00 0.00 C ATOM 60 CG PHE A 137 5.031 -4.372 5.636 1.00 0.00 C ATOM 61 CD1 PHE A 137 4.204 -4.292 4.508 1.00 0.00 C ATOM 62 CD2 PHE A 137 4.483 -4.709 6.882 1.00 0.00 C ATOM 63 CE1 PHE A 137 2.836 -4.547 4.624 1.00 0.00 C ATOM 64 CE2 PHE A 137 3.111 -4.966 6.996 1.00 0.00 C ATOM 65 CZ PHE A 137 2.287 -4.886 5.868 1.00 0.00 C ATOM 0 H PHE A 137 8.572 -2.468 5.935 1.00 0.00 H new ATOM 0 HA PHE A 137 6.443 -2.685 3.872 1.00 0.00 H new ATOM 0 HB2 PHE A 137 6.983 -4.841 4.873 1.00 0.00 H new ATOM 0 HB3 PHE A 137 6.991 -4.161 6.488 1.00 0.00 H new ATOM 0 HD1 PHE A 137 4.625 -4.033 3.548 1.00 0.00 H new ATOM 0 HD2 PHE A 137 5.118 -4.770 7.753 1.00 0.00 H new ATOM 0 HE1 PHE A 137 2.200 -4.483 3.754 1.00 0.00 H new ATOM 0 HE2 PHE A 137 2.689 -5.226 7.955 1.00 0.00 H new ATOM 0 HZ PHE A 137 1.229 -5.085 5.956 1.00 0.00 H new ATOM 75 N SER A 138 4.772 -1.280 5.061 1.00 0.00 N ATOM 76 CA SER A 138 3.865 -0.304 5.664 1.00 0.00 C ATOM 77 C SER A 138 2.422 -0.592 5.253 1.00 0.00 C ATOM 78 O SER A 138 2.143 -0.858 4.084 1.00 0.00 O ATOM 79 CB SER A 138 4.253 1.105 5.222 1.00 0.00 C ATOM 80 OG SER A 138 3.644 2.056 6.086 1.00 0.00 O ATOM 0 H SER A 138 4.470 -1.629 4.152 1.00 0.00 H new ATOM 0 HA SER A 138 3.943 -0.379 6.749 1.00 0.00 H new ATOM 0 HB2 SER A 138 5.337 1.219 5.244 1.00 0.00 H new ATOM 0 HB3 SER A 138 3.935 1.276 4.193 1.00 0.00 H new ATOM 0 HG SER A 138 3.894 2.961 5.804 1.00 0.00 H new ATOM 86 N HIS A 139 1.509 -0.542 6.224 1.00 0.00 N ATOM 87 CA HIS A 139 0.088 -0.802 5.962 1.00 0.00 C ATOM 88 C HIS A 139 -0.792 0.264 6.609 1.00 0.00 C ATOM 89 O HIS A 139 -0.364 0.971 7.520 1.00 0.00 O ATOM 90 CB HIS A 139 -0.304 -2.180 6.503 1.00 0.00 C ATOM 91 CG HIS A 139 -0.212 -2.177 8.003 1.00 0.00 C ATOM 92 ND1 HIS A 139 0.936 -2.563 8.677 1.00 0.00 N ATOM 93 CD2 HIS A 139 -1.119 -1.835 8.974 1.00 0.00 C ATOM 94 CE1 HIS A 139 0.692 -2.446 9.995 1.00 0.00 C ATOM 95 NE2 HIS A 139 -0.547 -2.005 10.232 1.00 0.00 N ATOM 0 H HIS A 139 1.725 -0.325 7.197 1.00 0.00 H new ATOM 0 HA HIS A 139 -0.065 -0.775 4.883 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -1.318 -2.429 6.191 1.00 0.00 H new ATOM 0 HB3 HIS A 139 0.354 -2.945 6.090 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -2.125 -1.487 8.790 1.00 0.00 H new ATOM 0 HE1 HIS A 139 1.410 -2.680 10.767 1.00 0.00 H new ATOM 0 HE2 HIS A 139 -0.980 -1.831 11.139 1.00 0.00 H new ATOM 104 N VAL A 140 -2.027 0.369 6.120 1.00 0.00 N ATOM 105 CA VAL A 140 -2.989 1.350 6.638 1.00 0.00 C ATOM 106 C VAL A 140 -4.357 0.690 6.813 1.00 0.00 C ATOM 107 O VAL A 140 -4.978 0.271 5.839 1.00 0.00 O ATOM 108 CB VAL A 140 -3.087 2.525 5.654 1.00 0.00 C ATOM 109 CG1 VAL A 140 -4.271 3.426 6.015 1.00 0.00 C ATOM 110 CG2 VAL A 140 -1.798 3.345 5.716 1.00 0.00 C ATOM 0 H VAL A 140 -2.389 -0.213 5.364 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.654 1.719 7.607 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.233 2.131 4.648 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -4.327 4.254 5.308 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.194 2.848 5.971 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -4.136 3.818 7.023 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -1.864 4.180 5.019 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -1.658 3.727 6.727 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -0.952 2.713 5.446 1.00 0.00 H new ATOM 120 N ASN A 141 -4.821 0.590 8.063 1.00 0.00 N ATOM 121 CA ASN A 141 -6.116 -0.037 8.340 1.00 0.00 C ATOM 122 C ASN A 141 -6.781 0.571 9.578 1.00 0.00 C ATOM 123 O ASN A 141 -6.198 0.586 10.662 1.00 0.00 O ATOM 124 CB ASN A 141 -5.922 -1.545 8.554 1.00 0.00 C ATOM 125 CG ASN A 141 -5.268 -1.815 9.907 1.00 0.00 C ATOM 126 OD1 ASN A 141 -4.063 -2.048 9.982 1.00 0.00 O ATOM 127 ND2 ASN A 141 -6.001 -1.799 10.987 1.00 0.00 N ATOM 0 H ASN A 141 -4.327 0.930 8.888 1.00 0.00 H new ATOM 0 HA ASN A 141 -6.766 0.140 7.483 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -6.885 -2.052 8.502 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.302 -1.954 7.756 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -5.574 -1.980 11.896 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -7.000 -1.605 10.922 1.00 0.00 H new ATOM 134 N SER A 142 -8.019 1.049 9.415 1.00 0.00 N ATOM 135 CA SER A 142 -8.775 1.630 10.531 1.00 0.00 C ATOM 136 C SER A 142 -10.235 1.188 10.457 1.00 0.00 C ATOM 137 O SER A 142 -10.623 0.446 9.554 1.00 0.00 O ATOM 138 CB SER A 142 -8.687 3.160 10.515 1.00 0.00 C ATOM 139 OG SER A 142 -8.950 3.654 11.821 1.00 0.00 O ATOM 0 H SER A 142 -8.518 1.046 8.525 1.00 0.00 H new ATOM 0 HA SER A 142 -8.338 1.273 11.464 1.00 0.00 H new ATOM 0 HB2 SER A 142 -7.697 3.476 10.185 1.00 0.00 H new ATOM 0 HB3 SER A 142 -9.406 3.571 9.806 1.00 0.00 H new ATOM 0 HG SER A 142 -8.894 4.632 11.818 1.00 0.00 H new ATOM 145 N ARG A 143 -11.037 1.644 11.411 1.00 0.00 N ATOM 146 CA ARG A 143 -12.451 1.283 11.444 1.00 0.00 C ATOM 147 C ARG A 143 -13.237 2.011 10.354 1.00 0.00 C ATOM 148 O ARG A 143 -14.147 1.441 9.750 1.00 0.00 O ATOM 149 CB ARG A 143 -13.041 1.630 12.818 1.00 0.00 C ATOM 150 CG ARG A 143 -14.432 0.988 12.982 1.00 0.00 C ATOM 151 CD ARG A 143 -14.300 -0.455 13.491 1.00 0.00 C ATOM 152 NE ARG A 143 -15.619 -1.008 13.776 1.00 0.00 N ATOM 153 CZ ARG A 143 -16.286 -0.663 14.871 1.00 0.00 C ATOM 154 NH1 ARG A 143 -15.765 0.185 15.714 1.00 0.00 N ATOM 155 NH2 ARG A 143 -17.466 -1.171 15.105 1.00 0.00 N ATOM 0 H ARG A 143 -10.737 2.260 12.167 1.00 0.00 H new ATOM 0 HA ARG A 143 -12.530 0.211 11.264 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -12.376 1.278 13.606 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -13.118 2.712 12.925 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -15.029 1.573 13.681 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -14.958 0.997 12.028 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -13.794 -1.067 12.745 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -13.686 -0.477 14.391 1.00 0.00 H new ATOM 0 HE ARG A 143 -16.036 -1.671 13.123 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -14.844 0.584 15.532 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -16.279 0.449 16.555 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -17.876 -1.833 14.446 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -17.978 -0.906 15.946 1.00 0.00 H new ATOM 169 N ASP A 144 -12.897 3.276 10.115 1.00 0.00 N ATOM 170 CA ASP A 144 -13.596 4.078 9.106 1.00 0.00 C ATOM 171 C ASP A 144 -12.898 4.007 7.748 1.00 0.00 C ATOM 172 O ASP A 144 -13.523 4.230 6.711 1.00 0.00 O ATOM 173 CB ASP A 144 -13.659 5.536 9.562 1.00 0.00 C ATOM 174 CG ASP A 144 -14.516 6.347 8.596 1.00 0.00 C ATOM 175 OD1 ASP A 144 -15.695 6.054 8.491 1.00 0.00 O ATOM 176 OD2 ASP A 144 -13.980 7.253 7.977 1.00 0.00 O ATOM 0 H ASP A 144 -12.147 3.768 10.601 1.00 0.00 H new ATOM 0 HA ASP A 144 -14.602 3.672 8.996 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -14.076 5.594 10.567 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -12.654 5.955 9.609 1.00 0.00 H new ATOM 181 N GLN A 145 -11.605 3.706 7.757 1.00 0.00 N ATOM 182 CA GLN A 145 -10.842 3.623 6.515 1.00 0.00 C ATOM 183 C GLN A 145 -11.437 2.569 5.577 1.00 0.00 C ATOM 184 O GLN A 145 -10.902 1.470 5.449 1.00 0.00 O ATOM 185 CB GLN A 145 -9.377 3.283 6.841 1.00 0.00 C ATOM 186 CG GLN A 145 -8.583 4.567 7.132 1.00 0.00 C ATOM 187 CD GLN A 145 -7.108 4.240 7.324 1.00 0.00 C ATOM 188 OE1 GLN A 145 -6.242 4.955 6.821 1.00 0.00 O ATOM 189 NE2 GLN A 145 -6.772 3.199 8.026 1.00 0.00 N ATOM 0 H GLN A 145 -11.066 3.517 8.602 1.00 0.00 H new ATOM 0 HA GLN A 145 -10.888 4.586 6.007 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -9.334 2.618 7.703 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -8.925 2.750 6.004 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -8.703 5.272 6.309 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -8.975 5.051 8.026 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -7.493 2.609 8.441 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -5.787 2.972 8.162 1.00 0.00 H new ATOM 198 N CYS A 146 -12.545 2.924 4.920 1.00 0.00 N ATOM 199 CA CYS A 146 -13.229 2.022 3.983 1.00 0.00 C ATOM 200 C CYS A 146 -13.246 2.641 2.578 1.00 0.00 C ATOM 201 O CYS A 146 -14.017 3.562 2.308 1.00 0.00 O ATOM 202 CB CYS A 146 -14.664 1.789 4.486 1.00 0.00 C ATOM 203 SG CYS A 146 -15.534 0.616 3.418 1.00 0.00 S ATOM 0 H CYS A 146 -12.991 3.836 5.020 1.00 0.00 H new ATOM 0 HA CYS A 146 -12.702 1.069 3.928 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -14.639 1.409 5.507 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -15.204 2.735 4.511 1.00 0.00 H new ATOM 208 N ASN A 147 -12.374 2.140 1.692 1.00 0.00 N ATOM 209 CA ASN A 147 -12.272 2.661 0.315 1.00 0.00 C ATOM 210 C ASN A 147 -12.187 1.527 -0.713 1.00 0.00 C ATOM 211 O ASN A 147 -11.956 0.372 -0.360 1.00 0.00 O ATOM 212 CB ASN A 147 -11.029 3.548 0.192 1.00 0.00 C ATOM 213 CG ASN A 147 -10.910 4.454 1.414 1.00 0.00 C ATOM 214 OD1 ASN A 147 -11.349 5.603 1.380 1.00 0.00 O ATOM 215 ND2 ASN A 147 -10.340 4.001 2.496 1.00 0.00 N ATOM 0 H ASN A 147 -11.730 1.377 1.900 1.00 0.00 H new ATOM 0 HA ASN A 147 -13.172 3.241 0.109 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -10.137 2.928 0.101 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -11.091 4.152 -0.714 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -10.257 4.600 3.318 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -9.977 3.048 2.521 1.00 0.00 H new ATOM 222 N ASP A 148 -12.386 1.874 -1.989 1.00 0.00 N ATOM 223 CA ASP A 148 -12.341 0.889 -3.074 1.00 0.00 C ATOM 224 C ASP A 148 -10.908 0.483 -3.416 1.00 0.00 C ATOM 225 O ASP A 148 -9.952 1.188 -3.093 1.00 0.00 O ATOM 226 CB ASP A 148 -13.041 1.448 -4.319 1.00 0.00 C ATOM 227 CG ASP A 148 -12.607 2.885 -4.580 1.00 0.00 C ATOM 228 OD1 ASP A 148 -13.129 3.771 -3.924 1.00 0.00 O ATOM 229 OD2 ASP A 148 -11.766 3.079 -5.442 1.00 0.00 O ATOM 0 H ASP A 148 -12.579 2.828 -2.295 1.00 0.00 H new ATOM 0 HA ASP A 148 -12.863 -0.004 -2.732 1.00 0.00 H new ATOM 0 HB2 ASP A 148 -12.805 0.829 -5.184 1.00 0.00 H new ATOM 0 HB3 ASP A 148 -14.122 1.408 -4.184 1.00 0.00 H new ATOM 234 N TYR A 149 -10.779 -0.672 -4.066 1.00 0.00 N ATOM 235 CA TYR A 149 -9.472 -1.200 -4.452 1.00 0.00 C ATOM 236 C TYR A 149 -8.621 -0.123 -5.119 1.00 0.00 C ATOM 237 O TYR A 149 -7.528 0.197 -4.649 1.00 0.00 O ATOM 238 CB TYR A 149 -9.662 -2.368 -5.426 1.00 0.00 C ATOM 239 CG TYR A 149 -8.345 -3.071 -5.657 1.00 0.00 C ATOM 240 CD1 TYR A 149 -7.954 -4.122 -4.816 1.00 0.00 C ATOM 241 CD2 TYR A 149 -7.517 -2.680 -6.718 1.00 0.00 C ATOM 242 CE1 TYR A 149 -6.735 -4.779 -5.036 1.00 0.00 C ATOM 243 CE2 TYR A 149 -6.301 -3.337 -6.935 1.00 0.00 C ATOM 244 CZ TYR A 149 -5.910 -4.386 -6.096 1.00 0.00 C ATOM 245 OH TYR A 149 -4.710 -5.034 -6.311 1.00 0.00 O ATOM 0 H TYR A 149 -11.566 -1.262 -4.337 1.00 0.00 H new ATOM 0 HA TYR A 149 -8.959 -1.539 -3.552 1.00 0.00 H new ATOM 0 HB2 TYR A 149 -10.393 -3.071 -5.025 1.00 0.00 H new ATOM 0 HB3 TYR A 149 -10.058 -2.001 -6.373 1.00 0.00 H new ATOM 0 HD1 TYR A 149 -8.591 -4.426 -3.999 1.00 0.00 H new ATOM 0 HD2 TYR A 149 -7.818 -1.872 -7.368 1.00 0.00 H new ATOM 0 HE1 TYR A 149 -6.433 -5.588 -4.388 1.00 0.00 H new ATOM 0 HE2 TYR A 149 -5.663 -3.034 -7.752 1.00 0.00 H new ATOM 0 HH TYR A 149 -3.976 -4.487 -5.963 1.00 0.00 H new ATOM 255 N GLN A 150 -9.126 0.429 -6.217 1.00 0.00 N ATOM 256 CA GLN A 150 -8.399 1.466 -6.943 1.00 0.00 C ATOM 257 C GLN A 150 -8.026 2.613 -6.013 1.00 0.00 C ATOM 258 O GLN A 150 -6.876 3.053 -5.984 1.00 0.00 O ATOM 259 CB GLN A 150 -9.254 1.994 -8.096 1.00 0.00 C ATOM 260 CG GLN A 150 -8.513 3.131 -8.809 1.00 0.00 C ATOM 261 CD GLN A 150 -9.079 3.331 -10.206 1.00 0.00 C ATOM 262 OE1 GLN A 150 -9.895 4.224 -10.431 1.00 0.00 O ATOM 263 NE2 GLN A 150 -8.689 2.541 -11.164 1.00 0.00 N ATOM 0 H GLN A 150 -10.028 0.179 -6.622 1.00 0.00 H new ATOM 0 HA GLN A 150 -7.484 1.029 -7.342 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -9.470 1.190 -8.800 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -10.211 2.352 -7.717 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -8.607 4.053 -8.235 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.449 2.900 -8.869 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -8.012 1.802 -10.972 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -9.060 2.661 -12.107 1.00 0.00 H new ATOM 272 N HIS A 151 -9.004 3.096 -5.254 1.00 0.00 N ATOM 273 CA HIS A 151 -8.764 4.193 -4.328 1.00 0.00 C ATOM 274 C HIS A 151 -7.564 3.878 -3.442 1.00 0.00 C ATOM 275 O HIS A 151 -6.670 4.710 -3.278 1.00 0.00 O ATOM 276 CB HIS A 151 -10.010 4.429 -3.457 1.00 0.00 C ATOM 277 CG HIS A 151 -11.006 5.282 -4.200 1.00 0.00 C ATOM 278 ND1 HIS A 151 -12.061 5.915 -3.561 1.00 0.00 N ATOM 279 CD2 HIS A 151 -11.117 5.617 -5.526 1.00 0.00 C ATOM 280 CE1 HIS A 151 -12.754 6.591 -4.495 1.00 0.00 C ATOM 281 NE2 HIS A 151 -12.221 6.444 -5.711 1.00 0.00 N ATOM 0 H HIS A 151 -9.963 2.747 -5.262 1.00 0.00 H new ATOM 0 HA HIS A 151 -8.554 5.097 -4.900 1.00 0.00 H new ATOM 0 HB2 HIS A 151 -10.464 3.474 -3.191 1.00 0.00 H new ATOM 0 HB3 HIS A 151 -9.725 4.917 -2.525 1.00 0.00 H new ATOM 0 HD2 HIS A 151 -10.449 5.288 -6.308 1.00 0.00 H new ATOM 0 HE1 HIS A 151 -13.634 7.181 -4.287 1.00 0.00 H new ATOM 0 HE2 HIS A 151 -12.552 6.850 -6.586 1.00 0.00 H new ATOM 290 N TRP A 152 -7.548 2.680 -2.867 1.00 0.00 N ATOM 291 CA TRP A 152 -6.446 2.295 -2.001 1.00 0.00 C ATOM 292 C TRP A 152 -5.127 2.328 -2.776 1.00 0.00 C ATOM 293 O TRP A 152 -4.132 2.863 -2.298 1.00 0.00 O ATOM 294 CB TRP A 152 -6.674 0.883 -1.417 1.00 0.00 C ATOM 295 CG TRP A 152 -7.464 0.942 -0.141 1.00 0.00 C ATOM 296 CD1 TRP A 152 -8.567 0.199 0.109 1.00 0.00 C ATOM 297 CD2 TRP A 152 -7.226 1.743 1.062 1.00 0.00 C ATOM 298 NE1 TRP A 152 -9.030 0.496 1.376 1.00 0.00 N ATOM 299 CE2 TRP A 152 -8.243 1.444 2.000 1.00 0.00 C ATOM 300 CE3 TRP A 152 -6.247 2.696 1.435 1.00 0.00 C ATOM 301 CZ2 TRP A 152 -8.291 2.060 3.248 1.00 0.00 C ATOM 302 CZ3 TRP A 152 -6.296 3.313 2.689 1.00 0.00 C ATOM 303 CH2 TRP A 152 -7.313 3.001 3.592 1.00 0.00 C ATOM 0 H TRP A 152 -8.273 1.972 -2.983 1.00 0.00 H new ATOM 0 HA TRP A 152 -6.396 3.008 -1.178 1.00 0.00 H new ATOM 0 HB2 TRP A 152 -7.201 0.266 -2.145 1.00 0.00 H new ATOM 0 HB3 TRP A 152 -5.713 0.405 -1.230 1.00 0.00 H new ATOM 0 HD1 TRP A 152 -9.013 -0.511 -0.572 1.00 0.00 H new ATOM 0 HE1 TRP A 152 -9.853 0.067 1.799 1.00 0.00 H new ATOM 0 HE3 TRP A 152 -5.456 2.948 0.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 152 -9.077 1.813 3.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 152 -5.541 4.036 2.961 1.00 0.00 H new ATOM 0 HH2 TRP A 152 -7.346 3.486 4.557 1.00 0.00 H new ATOM 314 N LYS A 153 -5.132 1.744 -3.966 1.00 0.00 N ATOM 315 CA LYS A 153 -3.930 1.703 -4.796 1.00 0.00 C ATOM 316 C LYS A 153 -3.284 3.082 -4.878 1.00 0.00 C ATOM 317 O LYS A 153 -2.060 3.205 -4.836 1.00 0.00 O ATOM 318 CB LYS A 153 -4.307 1.195 -6.202 1.00 0.00 C ATOM 319 CG LYS A 153 -3.106 0.502 -6.890 1.00 0.00 C ATOM 320 CD LYS A 153 -3.593 -0.468 -7.980 1.00 0.00 C ATOM 321 CE LYS A 153 -4.051 0.316 -9.211 1.00 0.00 C ATOM 322 NZ LYS A 153 -2.866 0.901 -9.896 1.00 0.00 N ATOM 0 H LYS A 153 -5.949 1.294 -4.379 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.205 1.024 -4.348 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -5.139 0.495 -6.127 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -4.647 2.031 -6.814 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -2.449 1.252 -7.330 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -2.519 -0.040 -6.149 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -2.791 -1.154 -8.253 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -4.415 -1.074 -7.598 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -4.591 -0.340 -9.893 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -4.741 1.107 -8.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -3.098 1.086 -10.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -2.601 1.792 -9.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -2.070 0.233 -9.844 1.00 0.00 H new ATOM 336 N ASP A 154 -4.107 4.114 -4.990 1.00 0.00 N ATOM 337 CA ASP A 154 -3.591 5.472 -5.070 1.00 0.00 C ATOM 338 C ASP A 154 -3.124 5.950 -3.698 1.00 0.00 C ATOM 339 O ASP A 154 -2.018 6.470 -3.560 1.00 0.00 O ATOM 340 CB ASP A 154 -4.673 6.413 -5.601 1.00 0.00 C ATOM 341 CG ASP A 154 -4.986 6.079 -7.056 1.00 0.00 C ATOM 342 OD1 ASP A 154 -4.171 6.399 -7.905 1.00 0.00 O ATOM 343 OD2 ASP A 154 -6.038 5.510 -7.299 1.00 0.00 O ATOM 0 H ASP A 154 -5.124 4.039 -5.027 1.00 0.00 H new ATOM 0 HA ASP A 154 -2.741 5.477 -5.752 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -5.575 6.322 -4.996 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -4.339 7.447 -5.520 1.00 0.00 H new ATOM 348 N GLU A 155 -3.971 5.772 -2.689 1.00 0.00 N ATOM 349 CA GLU A 155 -3.634 6.197 -1.332 1.00 0.00 C ATOM 350 C GLU A 155 -2.338 5.540 -0.853 1.00 0.00 C ATOM 351 O GLU A 155 -1.422 6.226 -0.401 1.00 0.00 O ATOM 352 CB GLU A 155 -4.791 5.861 -0.377 1.00 0.00 C ATOM 353 CG GLU A 155 -4.357 6.064 1.090 1.00 0.00 C ATOM 354 CD GLU A 155 -5.559 6.436 1.956 1.00 0.00 C ATOM 355 OE1 GLU A 155 -6.621 5.877 1.734 1.00 0.00 O ATOM 356 OE2 GLU A 155 -5.400 7.277 2.827 1.00 0.00 O ATOM 0 H GLU A 155 -4.890 5.340 -2.782 1.00 0.00 H new ATOM 0 HA GLU A 155 -3.478 7.276 -1.339 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -5.650 6.495 -0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -5.108 4.829 -0.529 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -3.897 5.152 1.469 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -3.603 6.849 1.147 1.00 0.00 H new ATOM 363 N ALA A 156 -2.259 4.217 -0.959 1.00 0.00 N ATOM 364 CA ALA A 156 -1.057 3.508 -0.536 1.00 0.00 C ATOM 365 C ALA A 156 0.153 4.092 -1.251 1.00 0.00 C ATOM 366 O ALA A 156 1.255 4.134 -0.702 1.00 0.00 O ATOM 367 CB ALA A 156 -1.176 2.011 -0.854 1.00 0.00 C ATOM 0 H ALA A 156 -3.001 3.622 -1.328 1.00 0.00 H new ATOM 0 HA ALA A 156 -0.938 3.625 0.541 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -0.270 1.497 -0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -2.036 1.595 -0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -1.307 1.876 -1.928 1.00 0.00 H new ATOM 373 N GLY A 157 -0.069 4.553 -2.478 1.00 0.00 N ATOM 374 CA GLY A 157 1.004 5.149 -3.262 1.00 0.00 C ATOM 375 C GLY A 157 1.485 6.447 -2.621 1.00 0.00 C ATOM 376 O GLY A 157 2.685 6.656 -2.449 1.00 0.00 O ATOM 0 H GLY A 157 -0.975 4.525 -2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 157 1.835 4.448 -3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 157 0.654 5.346 -4.275 1.00 0.00 H new ATOM 380 N LYS A 158 0.541 7.318 -2.266 1.00 0.00 N ATOM 381 CA LYS A 158 0.892 8.592 -1.645 1.00 0.00 C ATOM 382 C LYS A 158 1.506 8.376 -0.266 1.00 0.00 C ATOM 383 O LYS A 158 2.418 9.097 0.132 1.00 0.00 O ATOM 384 CB LYS A 158 -0.348 9.486 -1.510 1.00 0.00 C ATOM 385 CG LYS A 158 -1.137 9.504 -2.831 1.00 0.00 C ATOM 386 CD LYS A 158 -1.944 10.801 -2.946 1.00 0.00 C ATOM 387 CE LYS A 158 -2.979 10.857 -1.822 1.00 0.00 C ATOM 388 NZ LYS A 158 -2.302 11.191 -0.538 1.00 0.00 N ATOM 0 H LYS A 158 -0.459 7.167 -2.396 1.00 0.00 H new ATOM 0 HA LYS A 158 1.624 9.081 -2.288 1.00 0.00 H new ATOM 0 HB2 LYS A 158 -0.983 9.120 -0.704 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -0.047 10.499 -1.244 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -0.451 9.417 -3.674 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -1.807 8.645 -2.875 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -1.279 11.663 -2.886 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -2.441 10.849 -3.915 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -3.739 11.605 -2.050 1.00 0.00 H new ATOM 0 HE3 LYS A 158 -3.491 9.898 -1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 -2.916 11.811 0.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 -2.112 10.317 -0.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 -1.405 11.679 -0.735 1.00 0.00 H new ATOM 402 N GLN A 159 0.996 7.387 0.464 1.00 0.00 N ATOM 403 CA GLN A 159 1.508 7.107 1.802 1.00 0.00 C ATOM 404 C GLN A 159 3.007 6.803 1.748 1.00 0.00 C ATOM 405 O GLN A 159 3.774 7.245 2.602 1.00 0.00 O ATOM 406 CB GLN A 159 0.745 5.919 2.430 1.00 0.00 C ATOM 407 CG GLN A 159 0.610 6.121 3.947 1.00 0.00 C ATOM 408 CD GLN A 159 -0.498 7.124 4.247 1.00 0.00 C ATOM 409 OE1 GLN A 159 -0.238 8.190 4.805 1.00 0.00 O ATOM 410 NE2 GLN A 159 -1.726 6.845 3.905 1.00 0.00 N ATOM 0 H GLN A 159 0.240 6.775 0.157 1.00 0.00 H new ATOM 0 HA GLN A 159 1.354 7.990 2.423 1.00 0.00 H new ATOM 0 HB2 GLN A 159 -0.243 5.831 1.978 1.00 0.00 H new ATOM 0 HB3 GLN A 159 1.273 4.988 2.225 1.00 0.00 H new ATOM 0 HG2 GLN A 159 0.390 5.169 4.430 1.00 0.00 H new ATOM 0 HG3 GLN A 159 1.554 6.477 4.360 1.00 0.00 H new ATOM 0 HE21 GLN A 159 -1.938 5.961 3.443 1.00 0.00 H new ATOM 0 HE22 GLN A 159 -2.474 7.511 4.100 1.00 0.00 H new ATOM 419 N CYS A 160 3.412 6.038 0.743 1.00 0.00 N ATOM 420 CA CYS A 160 4.814 5.673 0.587 1.00 0.00 C ATOM 421 C CYS A 160 5.629 6.836 0.026 1.00 0.00 C ATOM 422 O CYS A 160 6.728 7.121 0.501 1.00 0.00 O ATOM 423 CB CYS A 160 4.927 4.476 -0.352 1.00 0.00 C ATOM 424 SG CYS A 160 6.578 3.751 -0.212 1.00 0.00 S ATOM 0 H CYS A 160 2.793 5.659 0.026 1.00 0.00 H new ATOM 0 HA CYS A 160 5.211 5.418 1.569 1.00 0.00 H new ATOM 0 HB2 CYS A 160 4.170 3.733 -0.103 1.00 0.00 H new ATOM 0 HB3 CYS A 160 4.741 4.788 -1.380 1.00 0.00 H new ATOM 429 N LYS A 161 5.088 7.496 -0.992 1.00 0.00 N ATOM 430 CA LYS A 161 5.780 8.617 -1.619 1.00 0.00 C ATOM 431 C LYS A 161 6.004 9.749 -0.620 1.00 0.00 C ATOM 432 O LYS A 161 7.122 10.238 -0.467 1.00 0.00 O ATOM 433 CB LYS A 161 4.968 9.136 -2.811 1.00 0.00 C ATOM 434 CG LYS A 161 5.074 8.151 -3.981 1.00 0.00 C ATOM 435 CD LYS A 161 4.407 8.752 -5.223 1.00 0.00 C ATOM 436 CE LYS A 161 2.904 8.934 -4.979 1.00 0.00 C ATOM 437 NZ LYS A 161 2.196 9.012 -6.287 1.00 0.00 N ATOM 0 H LYS A 161 4.179 7.277 -1.399 1.00 0.00 H new ATOM 0 HA LYS A 161 6.751 8.264 -1.966 1.00 0.00 H new ATOM 0 HB2 LYS A 161 3.924 9.263 -2.524 1.00 0.00 H new ATOM 0 HB3 LYS A 161 5.336 10.116 -3.114 1.00 0.00 H new ATOM 0 HG2 LYS A 161 6.121 7.930 -4.189 1.00 0.00 H new ATOM 0 HG3 LYS A 161 4.595 7.208 -3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 161 4.863 9.713 -5.461 1.00 0.00 H new ATOM 0 HD3 LYS A 161 4.567 8.101 -6.082 1.00 0.00 H new ATOM 0 HE2 LYS A 161 2.516 8.101 -4.392 1.00 0.00 H new ATOM 0 HE3 LYS A 161 2.725 9.841 -4.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 1.176 9.135 -6.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 2.560 9.820 -6.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 2.357 8.135 -6.822 1.00 0.00 H new ATOM 451 N THR A 162 4.937 10.163 0.054 1.00 0.00 N ATOM 452 CA THR A 162 5.043 11.242 1.029 1.00 0.00 C ATOM 453 C THR A 162 6.001 10.853 2.150 1.00 0.00 C ATOM 454 O THR A 162 6.657 11.708 2.746 1.00 0.00 O ATOM 455 CB THR A 162 3.659 11.579 1.604 1.00 0.00 C ATOM 456 OG1 THR A 162 3.726 12.823 2.287 1.00 0.00 O ATOM 457 CG2 THR A 162 3.212 10.487 2.582 1.00 0.00 C ATOM 0 H THR A 162 4.000 9.774 -0.054 1.00 0.00 H new ATOM 0 HA THR A 162 5.437 12.126 0.527 1.00 0.00 H new ATOM 0 HB THR A 162 2.939 11.641 0.788 1.00 0.00 H new ATOM 0 HG1 THR A 162 2.844 13.042 2.654 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.230 10.737 2.983 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.158 9.531 2.061 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.930 10.415 3.399 1.00 0.00 H new ATOM 465 N LYS A 163 6.080 9.554 2.430 1.00 0.00 N ATOM 466 CA LYS A 163 6.966 9.063 3.479 1.00 0.00 C ATOM 467 C LYS A 163 8.407 9.029 2.977 1.00 0.00 C ATOM 468 O LYS A 163 8.653 8.916 1.776 1.00 0.00 O ATOM 469 CB LYS A 163 6.533 7.657 3.919 1.00 0.00 C ATOM 470 CG LYS A 163 5.338 7.758 4.883 1.00 0.00 C ATOM 471 CD LYS A 163 5.799 8.269 6.283 1.00 0.00 C ATOM 472 CE LYS A 163 5.073 9.572 6.645 1.00 0.00 C ATOM 473 NZ LYS A 163 3.608 9.317 6.737 1.00 0.00 N ATOM 0 H LYS A 163 5.546 8.830 1.950 1.00 0.00 H new ATOM 0 HA LYS A 163 6.905 9.737 4.333 1.00 0.00 H new ATOM 0 HB2 LYS A 163 6.260 7.061 3.048 1.00 0.00 H new ATOM 0 HB3 LYS A 163 7.363 7.147 4.407 1.00 0.00 H new ATOM 0 HG2 LYS A 163 4.589 8.435 4.472 1.00 0.00 H new ATOM 0 HG3 LYS A 163 4.863 6.782 4.985 1.00 0.00 H new ATOM 0 HD2 LYS A 163 5.596 7.510 7.039 1.00 0.00 H new ATOM 0 HD3 LYS A 163 6.876 8.435 6.280 1.00 0.00 H new ATOM 0 HE2 LYS A 163 5.446 9.957 7.594 1.00 0.00 H new ATOM 0 HE3 LYS A 163 5.273 10.334 5.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 3.171 10.023 7.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 3.184 9.385 5.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 3.445 8.365 7.121 1.00 0.00 H new ATOM 487 N LYS A 164 9.352 9.134 3.907 1.00 0.00 N ATOM 488 CA LYS A 164 10.771 9.120 3.557 1.00 0.00 C ATOM 489 C LYS A 164 11.587 8.432 4.645 1.00 0.00 C ATOM 490 O LYS A 164 11.097 8.199 5.750 1.00 0.00 O ATOM 491 CB LYS A 164 11.276 10.558 3.377 1.00 0.00 C ATOM 492 CG LYS A 164 10.822 11.439 4.565 1.00 0.00 C ATOM 493 CD LYS A 164 9.497 12.146 4.243 1.00 0.00 C ATOM 494 CE LYS A 164 9.153 13.115 5.374 1.00 0.00 C ATOM 495 NZ LYS A 164 7.885 13.829 5.050 1.00 0.00 N ATOM 0 H LYS A 164 9.163 9.229 4.905 1.00 0.00 H new ATOM 0 HA LYS A 164 10.890 8.568 2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 164 12.364 10.563 3.307 1.00 0.00 H new ATOM 0 HB3 LYS A 164 10.895 10.970 2.443 1.00 0.00 H new ATOM 0 HG2 LYS A 164 10.704 10.823 5.456 1.00 0.00 H new ATOM 0 HG3 LYS A 164 11.590 12.180 4.789 1.00 0.00 H new ATOM 0 HD2 LYS A 164 9.579 12.685 3.299 1.00 0.00 H new ATOM 0 HD3 LYS A 164 8.700 11.412 4.122 1.00 0.00 H new ATOM 0 HE2 LYS A 164 9.047 12.572 6.313 1.00 0.00 H new ATOM 0 HE3 LYS A 164 9.962 13.833 5.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 7.300 13.904 5.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 8.104 14.782 4.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 7.365 13.300 4.322 1.00 0.00 H new ATOM 509 N SER A 165 12.836 8.115 4.324 1.00 0.00 N ATOM 510 CA SER A 165 13.720 7.460 5.280 1.00 0.00 C ATOM 511 C SER A 165 14.275 8.479 6.270 1.00 0.00 C ATOM 512 O SER A 165 13.825 9.624 6.311 1.00 0.00 O ATOM 513 CB SER A 165 14.870 6.774 4.539 1.00 0.00 C ATOM 514 OG SER A 165 15.845 6.342 5.477 1.00 0.00 O ATOM 0 H SER A 165 13.258 8.300 3.414 1.00 0.00 H new ATOM 0 HA SER A 165 13.150 6.711 5.830 1.00 0.00 H new ATOM 0 HB2 SER A 165 14.495 5.923 3.970 1.00 0.00 H new ATOM 0 HB3 SER A 165 15.318 7.463 3.823 1.00 0.00 H new ATOM 0 HG SER A 165 16.581 5.901 5.004 1.00 0.00 H new ATOM 520 N LYS A 166 15.253 8.059 7.066 1.00 0.00 N ATOM 521 CA LYS A 166 15.855 8.950 8.051 1.00 0.00 C ATOM 522 C LYS A 166 16.627 10.071 7.361 1.00 0.00 C ATOM 523 O LYS A 166 16.715 11.185 7.877 1.00 0.00 O ATOM 524 CB LYS A 166 16.803 8.161 8.961 1.00 0.00 C ATOM 525 CG LYS A 166 16.031 7.041 9.682 1.00 0.00 C ATOM 526 CD LYS A 166 15.328 7.594 10.928 1.00 0.00 C ATOM 527 CE LYS A 166 14.707 6.439 11.715 1.00 0.00 C ATOM 528 NZ LYS A 166 14.076 6.966 12.958 1.00 0.00 N ATOM 0 H LYS A 166 15.643 7.116 7.049 1.00 0.00 H new ATOM 0 HA LYS A 166 15.057 9.389 8.650 1.00 0.00 H new ATOM 0 HB2 LYS A 166 17.614 7.733 8.372 1.00 0.00 H new ATOM 0 HB3 LYS A 166 17.258 8.829 9.692 1.00 0.00 H new ATOM 0 HG2 LYS A 166 15.296 6.603 9.006 1.00 0.00 H new ATOM 0 HG3 LYS A 166 16.717 6.243 9.967 1.00 0.00 H new ATOM 0 HD2 LYS A 166 16.041 8.132 11.553 1.00 0.00 H new ATOM 0 HD3 LYS A 166 14.556 8.307 10.638 1.00 0.00 H new ATOM 0 HE2 LYS A 166 13.962 5.928 11.105 1.00 0.00 H new ATOM 0 HE3 LYS A 166 15.471 5.704 11.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 13.654 6.180 13.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 14.798 7.434 13.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 13.335 7.652 12.707 1.00 0.00 H new ATOM 542 N GLY A 167 17.188 9.768 6.192 1.00 0.00 N ATOM 543 CA GLY A 167 17.956 10.755 5.435 1.00 0.00 C ATOM 544 C GLY A 167 17.070 11.496 4.439 1.00 0.00 C ATOM 545 O GLY A 167 17.513 11.850 3.346 1.00 0.00 O ATOM 0 H GLY A 167 17.126 8.851 5.750 1.00 0.00 H new ATOM 0 HA2 GLY A 167 18.413 11.469 6.121 1.00 0.00 H new ATOM 0 HA3 GLY A 167 18.768 10.259 4.904 1.00 0.00 H new ATOM 549 N ASN A 168 15.817 11.727 4.820 1.00 0.00 N ATOM 550 CA ASN A 168 14.881 12.428 3.946 1.00 0.00 C ATOM 551 C ASN A 168 14.964 11.881 2.524 1.00 0.00 C ATOM 552 O ASN A 168 14.920 12.636 1.553 1.00 0.00 O ATOM 553 CB ASN A 168 15.196 13.925 3.938 1.00 0.00 C ATOM 554 CG ASN A 168 15.145 14.476 5.358 1.00 0.00 C ATOM 555 OD1 ASN A 168 16.098 15.108 5.814 1.00 0.00 O ATOM 556 ND2 ASN A 168 14.082 14.275 6.089 1.00 0.00 N ATOM 0 H ASN A 168 15.429 11.442 5.719 1.00 0.00 H new ATOM 0 HA ASN A 168 13.871 12.271 4.325 1.00 0.00 H new ATOM 0 HB2 ASN A 168 16.183 14.095 3.508 1.00 0.00 H new ATOM 0 HB3 ASN A 168 14.479 14.452 3.308 1.00 0.00 H new ATOM 0 HD21 ASN A 168 14.040 14.642 7.040 1.00 0.00 H new ATOM 0 HD22 ASN A 168 13.294 13.751 5.709 1.00 0.00 H new ATOM 563 N LYS A 169 15.086 10.561 2.413 1.00 0.00 N ATOM 564 CA LYS A 169 15.179 9.910 1.107 1.00 0.00 C ATOM 565 C LYS A 169 13.776 9.671 0.537 1.00 0.00 C ATOM 566 O LYS A 169 12.792 10.203 1.049 1.00 0.00 O ATOM 567 CB LYS A 169 15.946 8.573 1.255 1.00 0.00 C ATOM 568 CG LYS A 169 16.912 8.360 0.072 1.00 0.00 C ATOM 569 CD LYS A 169 18.224 9.112 0.324 1.00 0.00 C ATOM 570 CE LYS A 169 19.208 8.815 -0.808 1.00 0.00 C ATOM 571 NZ LYS A 169 19.420 7.343 -0.907 1.00 0.00 N ATOM 0 H LYS A 169 15.123 9.922 3.207 1.00 0.00 H new ATOM 0 HA LYS A 169 15.721 10.554 0.415 1.00 0.00 H new ATOM 0 HB2 LYS A 169 16.505 8.571 2.191 1.00 0.00 H new ATOM 0 HB3 LYS A 169 15.238 7.746 1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 169 17.112 7.296 -0.058 1.00 0.00 H new ATOM 0 HG3 LYS A 169 16.453 8.713 -0.851 1.00 0.00 H new ATOM 0 HD2 LYS A 169 18.035 10.184 0.384 1.00 0.00 H new ATOM 0 HD3 LYS A 169 18.651 8.809 1.280 1.00 0.00 H new ATOM 0 HE2 LYS A 169 18.822 9.202 -1.751 1.00 0.00 H new ATOM 0 HE3 LYS A 169 20.157 9.318 -0.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 20.332 7.154 -1.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 19.424 6.928 0.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 18.653 6.919 -1.466 1.00 0.00 H new ATOM 585 N ASP A 170 13.694 8.870 -0.526 1.00 0.00 N ATOM 586 CA ASP A 170 12.410 8.564 -1.164 1.00 0.00 C ATOM 587 C ASP A 170 12.252 7.057 -1.339 1.00 0.00 C ATOM 588 O ASP A 170 13.239 6.322 -1.375 1.00 0.00 O ATOM 589 CB ASP A 170 12.337 9.246 -2.532 1.00 0.00 C ATOM 590 CG ASP A 170 10.899 9.241 -3.042 1.00 0.00 C ATOM 591 OD1 ASP A 170 10.502 8.248 -3.629 1.00 0.00 O ATOM 592 OD2 ASP A 170 10.218 10.232 -2.838 1.00 0.00 O ATOM 0 H ASP A 170 14.499 8.421 -0.964 1.00 0.00 H new ATOM 0 HA ASP A 170 11.606 8.934 -0.528 1.00 0.00 H new ATOM 0 HB2 ASP A 170 12.701 10.271 -2.457 1.00 0.00 H new ATOM 0 HB3 ASP A 170 12.984 8.729 -3.240 1.00 0.00 H new ATOM 597 N MET A 171 11.005 6.601 -1.443 1.00 0.00 N ATOM 598 CA MET A 171 10.728 5.174 -1.611 1.00 0.00 C ATOM 599 C MET A 171 9.463 4.962 -2.437 1.00 0.00 C ATOM 600 O MET A 171 8.458 5.645 -2.241 1.00 0.00 O ATOM 601 CB MET A 171 10.548 4.510 -0.243 1.00 0.00 C ATOM 602 CG MET A 171 11.770 4.790 0.635 1.00 0.00 C ATOM 603 SD MET A 171 11.694 3.762 2.127 1.00 0.00 S ATOM 604 CE MET A 171 11.912 2.149 1.330 1.00 0.00 C ATOM 0 H MET A 171 10.175 7.193 -1.414 1.00 0.00 H new ATOM 0 HA MET A 171 11.573 4.725 -2.132 1.00 0.00 H new ATOM 0 HB2 MET A 171 9.647 4.890 0.240 1.00 0.00 H new ATOM 0 HB3 MET A 171 10.415 3.435 -0.365 1.00 0.00 H new ATOM 0 HG2 MET A 171 12.685 4.578 0.081 1.00 0.00 H new ATOM 0 HG3 MET A 171 11.800 5.845 0.909 1.00 0.00 H new ATOM 0 HE1 MET A 171 12.213 1.413 2.075 1.00 0.00 H new ATOM 0 HE2 MET A 171 10.972 1.839 0.872 1.00 0.00 H new ATOM 0 HE3 MET A 171 12.682 2.224 0.562 1.00 0.00 H new ATOM 614 N ILE A 172 9.518 3.994 -3.350 1.00 0.00 N ATOM 615 CA ILE A 172 8.370 3.672 -4.195 1.00 0.00 C ATOM 616 C ILE A 172 7.540 2.581 -3.533 1.00 0.00 C ATOM 617 O ILE A 172 7.798 2.215 -2.390 1.00 0.00 O ATOM 618 CB ILE A 172 8.845 3.200 -5.580 1.00 0.00 C ATOM 619 CG1 ILE A 172 9.649 1.893 -5.463 1.00 0.00 C ATOM 620 CG2 ILE A 172 9.738 4.277 -6.199 1.00 0.00 C ATOM 621 CD1 ILE A 172 9.937 1.348 -6.863 1.00 0.00 C ATOM 0 H ILE A 172 10.343 3.420 -3.523 1.00 0.00 H new ATOM 0 HA ILE A 172 7.759 4.566 -4.321 1.00 0.00 H new ATOM 0 HB ILE A 172 7.971 3.023 -6.207 1.00 0.00 H new ATOM 0 HG12 ILE A 172 10.583 2.074 -4.932 1.00 0.00 H new ATOM 0 HG13 ILE A 172 9.089 1.159 -4.883 1.00 0.00 H new ATOM 0 HG21 ILE A 172 10.078 3.948 -7.181 1.00 0.00 H new ATOM 0 HG22 ILE A 172 9.173 5.203 -6.302 1.00 0.00 H new ATOM 0 HG23 ILE A 172 10.601 4.448 -5.555 1.00 0.00 H new ATOM 0 HD11 ILE A 172 10.507 0.422 -6.783 1.00 0.00 H new ATOM 0 HD12 ILE A 172 8.996 1.152 -7.378 1.00 0.00 H new ATOM 0 HD13 ILE A 172 10.514 2.081 -7.427 1.00 0.00 H new ATOM 633 N VAL A 173 6.560 2.050 -4.263 1.00 0.00 N ATOM 634 CA VAL A 173 5.714 0.970 -3.745 1.00 0.00 C ATOM 635 C VAL A 173 5.969 -0.302 -4.545 1.00 0.00 C ATOM 636 O VAL A 173 5.595 -0.407 -5.714 1.00 0.00 O ATOM 637 CB VAL A 173 4.232 1.365 -3.829 1.00 0.00 C ATOM 638 CG1 VAL A 173 3.353 0.148 -3.516 1.00 0.00 C ATOM 639 CG2 VAL A 173 3.937 2.481 -2.812 1.00 0.00 C ATOM 0 H VAL A 173 6.331 2.347 -5.212 1.00 0.00 H new ATOM 0 HA VAL A 173 5.961 0.792 -2.699 1.00 0.00 H new ATOM 0 HB VAL A 173 4.013 1.721 -4.836 1.00 0.00 H new ATOM 0 HG11 VAL A 173 2.303 0.433 -3.577 1.00 0.00 H new ATOM 0 HG12 VAL A 173 3.557 -0.643 -4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 173 3.574 -0.212 -2.511 1.00 0.00 H new ATOM 0 HG21 VAL A 173 2.885 2.760 -2.873 1.00 0.00 H new ATOM 0 HG22 VAL A 173 4.160 2.125 -1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 173 4.556 3.350 -3.035 1.00 0.00 H new ATOM 649 N ARG A 174 6.630 -1.257 -3.903 1.00 0.00 N ATOM 650 CA ARG A 174 6.964 -2.521 -4.545 1.00 0.00 C ATOM 651 C ARG A 174 5.728 -3.418 -4.657 1.00 0.00 C ATOM 652 O ARG A 174 5.363 -3.844 -5.753 1.00 0.00 O ATOM 653 CB ARG A 174 8.092 -3.207 -3.737 1.00 0.00 C ATOM 654 CG ARG A 174 8.010 -4.738 -3.841 1.00 0.00 C ATOM 655 CD ARG A 174 9.343 -5.354 -3.414 1.00 0.00 C ATOM 656 NE ARG A 174 10.380 -5.043 -4.390 1.00 0.00 N ATOM 657 CZ ARG A 174 11.636 -5.437 -4.208 1.00 0.00 C ATOM 658 NH1 ARG A 174 11.958 -6.119 -3.144 1.00 0.00 N ATOM 659 NH2 ARG A 174 12.548 -5.144 -5.095 1.00 0.00 N ATOM 0 H ARG A 174 6.946 -1.179 -2.936 1.00 0.00 H new ATOM 0 HA ARG A 174 7.315 -2.337 -5.560 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.061 -2.868 -4.103 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.025 -2.908 -2.691 1.00 0.00 H new ATOM 0 HG2 ARG A 174 7.206 -5.113 -3.208 1.00 0.00 H new ATOM 0 HG3 ARG A 174 7.774 -5.031 -4.864 1.00 0.00 H new ATOM 0 HD2 ARG A 174 9.630 -4.973 -2.434 1.00 0.00 H new ATOM 0 HD3 ARG A 174 9.238 -6.435 -3.317 1.00 0.00 H new ATOM 0 HE ARG A 174 10.137 -4.514 -5.227 1.00 0.00 H new ATOM 0 HH11 ARG A 174 11.246 -6.350 -2.451 1.00 0.00 H new ATOM 0 HH12 ARG A 174 12.922 -6.421 -3.004 1.00 0.00 H new ATOM 0 HH21 ARG A 174 12.297 -4.612 -5.928 1.00 0.00 H new ATOM 0 HH22 ARG A 174 13.512 -5.447 -4.955 1.00 0.00 H new ATOM 673 N SER A 175 5.095 -3.711 -3.520 1.00 0.00 N ATOM 674 CA SER A 175 3.904 -4.572 -3.502 1.00 0.00 C ATOM 675 C SER A 175 2.678 -3.794 -3.039 1.00 0.00 C ATOM 676 O SER A 175 2.797 -2.697 -2.494 1.00 0.00 O ATOM 677 CB SER A 175 4.138 -5.759 -2.567 1.00 0.00 C ATOM 678 OG SER A 175 3.202 -6.786 -2.869 1.00 0.00 O ATOM 0 H SER A 175 5.382 -3.369 -2.603 1.00 0.00 H new ATOM 0 HA SER A 175 3.726 -4.931 -4.516 1.00 0.00 H new ATOM 0 HB2 SER A 175 5.155 -6.133 -2.683 1.00 0.00 H new ATOM 0 HB3 SER A 175 4.029 -5.446 -1.529 1.00 0.00 H new ATOM 0 HG SER A 175 3.350 -7.549 -2.273 1.00 0.00 H new ATOM 684 N PHE A 176 1.499 -4.371 -3.258 1.00 0.00 N ATOM 685 CA PHE A 176 0.260 -3.720 -2.854 1.00 0.00 C ATOM 686 C PHE A 176 -0.919 -4.692 -2.958 1.00 0.00 C ATOM 687 O PHE A 176 -1.095 -5.377 -3.966 1.00 0.00 O ATOM 688 CB PHE A 176 0.035 -2.467 -3.725 1.00 0.00 C ATOM 689 CG PHE A 176 -1.429 -2.068 -3.742 1.00 0.00 C ATOM 690 CD1 PHE A 176 -1.949 -1.284 -2.711 1.00 0.00 C ATOM 691 CD2 PHE A 176 -2.262 -2.488 -4.784 1.00 0.00 C ATOM 692 CE1 PHE A 176 -3.294 -0.924 -2.712 1.00 0.00 C ATOM 693 CE2 PHE A 176 -3.614 -2.122 -4.790 1.00 0.00 C ATOM 694 CZ PHE A 176 -4.130 -1.341 -3.749 1.00 0.00 C ATOM 0 H PHE A 176 1.378 -5.278 -3.708 1.00 0.00 H new ATOM 0 HA PHE A 176 0.335 -3.411 -1.811 1.00 0.00 H new ATOM 0 HB2 PHE A 176 0.635 -1.642 -3.342 1.00 0.00 H new ATOM 0 HB3 PHE A 176 0.374 -2.662 -4.743 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.305 -0.955 -1.909 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -1.863 -3.094 -5.584 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -3.691 -0.321 -1.909 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -4.257 -2.442 -5.596 1.00 0.00 H new ATOM 0 HZ PHE A 176 -5.173 -1.062 -3.748 1.00 0.00 H new ATOM 704 N ALA A 177 -1.720 -4.732 -1.895 1.00 0.00 N ATOM 705 CA ALA A 177 -2.891 -5.607 -1.842 1.00 0.00 C ATOM 706 C ALA A 177 -3.777 -5.201 -0.672 1.00 0.00 C ATOM 707 O ALA A 177 -3.269 -4.847 0.386 1.00 0.00 O ATOM 708 CB ALA A 177 -2.451 -7.062 -1.669 1.00 0.00 C ATOM 0 H ALA A 177 -1.580 -4.168 -1.057 1.00 0.00 H new ATOM 0 HA ALA A 177 -3.449 -5.512 -2.774 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -3.330 -7.706 -1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.823 -7.355 -2.511 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -1.886 -7.164 -0.742 1.00 0.00 H new ATOM 714 N VAL A 178 -5.095 -5.245 -0.856 1.00 0.00 N ATOM 715 CA VAL A 178 -6.003 -4.848 0.220 1.00 0.00 C ATOM 716 C VAL A 178 -5.946 -5.841 1.378 1.00 0.00 C ATOM 717 O VAL A 178 -5.414 -6.942 1.237 1.00 0.00 O ATOM 718 CB VAL A 178 -7.440 -4.720 -0.297 1.00 0.00 C ATOM 719 CG1 VAL A 178 -7.525 -3.533 -1.264 1.00 0.00 C ATOM 720 CG2 VAL A 178 -7.862 -6.007 -1.019 1.00 0.00 C ATOM 0 H VAL A 178 -5.551 -5.544 -1.718 1.00 0.00 H new ATOM 0 HA VAL A 178 -5.678 -3.874 0.585 1.00 0.00 H new ATOM 0 HB VAL A 178 -8.111 -4.557 0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 178 -8.546 -3.438 -1.635 1.00 0.00 H new ATOM 0 HG12 VAL A 178 -7.241 -2.618 -0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 178 -6.848 -3.698 -2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 178 -8.885 -5.902 -1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 178 -7.195 -6.187 -1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 178 -7.806 -6.847 -0.327 1.00 0.00 H new ATOM 730 N LEU A 179 -6.468 -5.427 2.539 1.00 0.00 N ATOM 731 CA LEU A 179 -6.439 -6.271 3.739 1.00 0.00 C ATOM 732 C LEU A 179 -7.836 -6.727 4.156 1.00 0.00 C ATOM 733 O LEU A 179 -8.368 -7.707 3.632 1.00 0.00 O ATOM 734 CB LEU A 179 -5.811 -5.489 4.908 1.00 0.00 C ATOM 735 CG LEU A 179 -4.283 -5.379 4.746 1.00 0.00 C ATOM 736 CD1 LEU A 179 -3.699 -4.470 5.869 1.00 0.00 C ATOM 737 CD2 LEU A 179 -3.640 -6.794 4.794 1.00 0.00 C ATOM 0 H LEU A 179 -6.913 -4.519 2.672 1.00 0.00 H new ATOM 0 HA LEU A 179 -5.846 -7.154 3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 179 -6.247 -4.491 4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 179 -6.045 -5.986 5.849 1.00 0.00 H new ATOM 0 HG LEU A 179 -4.053 -4.930 3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 179 -2.618 -4.395 5.751 1.00 0.00 H new ATOM 0 HD12 LEU A 179 -4.142 -3.476 5.800 1.00 0.00 H new ATOM 0 HD13 LEU A 179 -3.928 -4.902 6.843 1.00 0.00 H new ATOM 0 HD21 LEU A 179 -2.560 -6.707 4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 179 -3.866 -7.264 5.751 1.00 0.00 H new ATOM 0 HD23 LEU A 179 -4.043 -7.404 3.986 1.00 0.00 H new ATOM 749 N GLU A 180 -8.401 -6.029 5.139 1.00 0.00 N ATOM 750 CA GLU A 180 -9.713 -6.384 5.671 1.00 0.00 C ATOM 751 C GLU A 180 -10.836 -6.042 4.685 1.00 0.00 C ATOM 752 O GLU A 180 -10.747 -5.050 3.961 1.00 0.00 O ATOM 753 CB GLU A 180 -9.951 -5.639 6.985 1.00 0.00 C ATOM 754 CG GLU A 180 -9.044 -6.216 8.074 1.00 0.00 C ATOM 755 CD GLU A 180 -9.045 -5.301 9.293 1.00 0.00 C ATOM 756 OE1 GLU A 180 -9.974 -5.394 10.079 1.00 0.00 O ATOM 757 OE2 GLU A 180 -8.117 -4.519 9.424 1.00 0.00 O ATOM 0 H GLU A 180 -7.971 -5.217 5.582 1.00 0.00 H new ATOM 0 HA GLU A 180 -9.725 -7.461 5.839 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -9.748 -4.576 6.854 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -10.996 -5.730 7.282 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -9.388 -7.211 8.356 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -8.029 -6.326 7.693 1.00 0.00 H new ATOM 764 N PRO A 181 -11.896 -6.828 4.649 1.00 0.00 N ATOM 765 CA PRO A 181 -13.051 -6.574 3.738 1.00 0.00 C ATOM 766 C PRO A 181 -14.006 -5.500 4.272 1.00 0.00 C ATOM 767 O PRO A 181 -14.212 -5.368 5.479 1.00 0.00 O ATOM 768 CB PRO A 181 -13.748 -7.936 3.691 1.00 0.00 C ATOM 769 CG PRO A 181 -13.525 -8.498 5.054 1.00 0.00 C ATOM 770 CD PRO A 181 -12.119 -8.047 5.457 1.00 0.00 C ATOM 0 HA PRO A 181 -12.732 -6.198 2.766 1.00 0.00 H new ATOM 0 HB2 PRO A 181 -14.810 -7.834 3.469 1.00 0.00 H new ATOM 0 HB3 PRO A 181 -13.322 -8.577 2.919 1.00 0.00 H new ATOM 0 HG2 PRO A 181 -14.272 -8.130 5.757 1.00 0.00 H new ATOM 0 HG3 PRO A 181 -13.602 -9.585 5.048 1.00 0.00 H new ATOM 0 HD2 PRO A 181 -12.057 -7.837 6.525 1.00 0.00 H new ATOM 0 HD3 PRO A 181 -11.375 -8.813 5.239 1.00 0.00 H new ATOM 778 N CYS A 182 -14.588 -4.753 3.344 1.00 0.00 N ATOM 779 CA CYS A 182 -15.544 -3.685 3.654 1.00 0.00 C ATOM 780 C CYS A 182 -16.739 -3.823 2.711 1.00 0.00 C ATOM 781 O CYS A 182 -16.867 -4.840 2.030 1.00 0.00 O ATOM 782 CB CYS A 182 -14.886 -2.311 3.495 1.00 0.00 C ATOM 783 SG CYS A 182 -15.703 -1.072 4.526 1.00 0.00 S ATOM 0 H CYS A 182 -14.412 -4.868 2.346 1.00 0.00 H new ATOM 0 HA CYS A 182 -15.877 -3.772 4.688 1.00 0.00 H new ATOM 0 HB2 CYS A 182 -13.832 -2.376 3.766 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -14.928 -2.003 2.450 1.00 0.00 H new ATOM 788 N ALA A 183 -17.616 -2.822 2.693 1.00 0.00 N ATOM 789 CA ALA A 183 -18.810 -2.856 1.836 1.00 0.00 C ATOM 790 C ALA A 183 -18.531 -3.558 0.499 1.00 0.00 C ATOM 791 O ALA A 183 -17.378 -3.725 0.103 1.00 0.00 O ATOM 792 CB ALA A 183 -19.291 -1.429 1.566 1.00 0.00 C ATOM 0 H ALA A 183 -17.527 -1.978 3.258 1.00 0.00 H new ATOM 0 HA ALA A 183 -19.580 -3.421 2.362 1.00 0.00 H new ATOM 0 HB1 ALA A 183 -20.176 -1.458 0.930 1.00 0.00 H new ATOM 0 HB2 ALA A 183 -19.538 -0.943 2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 183 -18.502 -0.868 1.065 1.00 0.00 H new ATOM 798 N LEU A 184 -19.613 -3.973 -0.169 1.00 0.00 N ATOM 799 CA LEU A 184 -19.550 -4.691 -1.456 1.00 0.00 C ATOM 800 C LEU A 184 -18.183 -4.596 -2.141 1.00 0.00 C ATOM 801 O LEU A 184 -17.482 -5.600 -2.274 1.00 0.00 O ATOM 802 CB LEU A 184 -20.611 -4.127 -2.408 1.00 0.00 C ATOM 803 CG LEU A 184 -20.786 -5.059 -3.633 1.00 0.00 C ATOM 804 CD1 LEU A 184 -21.867 -6.107 -3.344 1.00 0.00 C ATOM 805 CD2 LEU A 184 -21.200 -4.236 -4.859 1.00 0.00 C ATOM 0 H LEU A 184 -20.564 -3.821 0.166 1.00 0.00 H new ATOM 0 HA LEU A 184 -19.731 -5.742 -1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -21.561 -4.023 -1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -20.319 -3.131 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 184 -19.838 -5.559 -3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -21.984 -6.758 -4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -21.574 -6.703 -2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -22.813 -5.606 -3.136 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -21.321 -4.897 -5.717 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -22.143 -3.729 -4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -20.430 -3.496 -5.077 1.00 0.00 H new ATOM 817 N ASP A 185 -17.816 -3.396 -2.587 1.00 0.00 N ATOM 818 CA ASP A 185 -16.536 -3.190 -3.276 1.00 0.00 C ATOM 819 C ASP A 185 -15.677 -2.189 -2.514 1.00 0.00 C ATOM 820 O ASP A 185 -15.443 -1.076 -2.981 1.00 0.00 O ATOM 821 CB ASP A 185 -16.801 -2.668 -4.693 1.00 0.00 C ATOM 822 CG ASP A 185 -15.562 -2.853 -5.564 1.00 0.00 C ATOM 823 OD1 ASP A 185 -15.400 -3.932 -6.108 1.00 0.00 O ATOM 824 OD2 ASP A 185 -14.794 -1.911 -5.674 1.00 0.00 O ATOM 0 H ASP A 185 -18.381 -2.553 -2.486 1.00 0.00 H new ATOM 0 HA ASP A 185 -16.003 -4.140 -3.326 1.00 0.00 H new ATOM 0 HB2 ASP A 185 -17.645 -3.199 -5.132 1.00 0.00 H new ATOM 0 HB3 ASP A 185 -17.073 -1.613 -4.655 1.00 0.00 H new ATOM 829 N MET A 186 -15.220 -2.594 -1.332 1.00 0.00 N ATOM 830 CA MET A 186 -14.402 -1.725 -0.495 1.00 0.00 C ATOM 831 C MET A 186 -13.591 -2.538 0.511 1.00 0.00 C ATOM 832 O MET A 186 -13.899 -3.701 0.775 1.00 0.00 O ATOM 833 CB MET A 186 -15.297 -0.718 0.241 1.00 0.00 C ATOM 834 CG MET A 186 -15.837 0.341 -0.729 1.00 0.00 C ATOM 835 SD MET A 186 -16.371 1.792 0.214 1.00 0.00 S ATOM 836 CE MET A 186 -15.988 3.039 -1.041 1.00 0.00 C ATOM 0 H MET A 186 -15.402 -3.515 -0.934 1.00 0.00 H new ATOM 0 HA MET A 186 -13.704 -1.187 -1.137 1.00 0.00 H new ATOM 0 HB2 MET A 186 -16.128 -1.241 0.715 1.00 0.00 H new ATOM 0 HB3 MET A 186 -14.730 -0.234 1.036 1.00 0.00 H new ATOM 0 HG2 MET A 186 -15.066 0.622 -1.446 1.00 0.00 H new ATOM 0 HG3 MET A 186 -16.672 -0.064 -1.301 1.00 0.00 H new ATOM 0 HE1 MET A 186 -16.127 4.034 -0.619 1.00 0.00 H new ATOM 0 HE2 MET A 186 -14.954 2.923 -1.365 1.00 0.00 H new ATOM 0 HE3 MET A 186 -16.653 2.911 -1.895 1.00 0.00 H new ATOM 846 N PHE A 187 -12.552 -1.912 1.079 1.00 0.00 N ATOM 847 CA PHE A 187 -11.692 -2.577 2.069 1.00 0.00 C ATOM 848 C PHE A 187 -11.440 -1.663 3.273 1.00 0.00 C ATOM 849 O PHE A 187 -11.142 -0.480 3.114 1.00 0.00 O ATOM 850 CB PHE A 187 -10.372 -2.955 1.407 1.00 0.00 C ATOM 851 CG PHE A 187 -10.683 -3.890 0.269 1.00 0.00 C ATOM 852 CD1 PHE A 187 -10.799 -5.263 0.509 1.00 0.00 C ATOM 853 CD2 PHE A 187 -10.887 -3.382 -1.018 1.00 0.00 C ATOM 854 CE1 PHE A 187 -11.113 -6.132 -0.540 1.00 0.00 C ATOM 855 CE2 PHE A 187 -11.206 -4.248 -2.068 1.00 0.00 C ATOM 856 CZ PHE A 187 -11.319 -5.624 -1.830 1.00 0.00 C ATOM 0 H PHE A 187 -12.286 -0.949 0.871 1.00 0.00 H new ATOM 0 HA PHE A 187 -12.192 -3.476 2.430 1.00 0.00 H new ATOM 0 HB2 PHE A 187 -9.859 -2.066 1.042 1.00 0.00 H new ATOM 0 HB3 PHE A 187 -9.707 -3.435 2.125 1.00 0.00 H new ATOM 0 HD1 PHE A 187 -10.646 -5.652 1.505 1.00 0.00 H new ATOM 0 HD2 PHE A 187 -10.798 -2.321 -1.201 1.00 0.00 H new ATOM 0 HE1 PHE A 187 -11.197 -7.193 -0.357 1.00 0.00 H new ATOM 0 HE2 PHE A 187 -11.365 -3.857 -3.062 1.00 0.00 H new ATOM 0 HZ PHE A 187 -11.565 -6.294 -2.641 1.00 0.00 H new ATOM 866 N THR A 188 -11.591 -2.223 4.477 1.00 0.00 N ATOM 867 CA THR A 188 -11.406 -1.447 5.705 1.00 0.00 C ATOM 868 C THR A 188 -9.943 -1.047 5.891 1.00 0.00 C ATOM 869 O THR A 188 -9.635 -0.141 6.666 1.00 0.00 O ATOM 870 CB THR A 188 -11.881 -2.243 6.950 1.00 0.00 C ATOM 871 OG1 THR A 188 -10.756 -2.674 7.704 1.00 0.00 O ATOM 872 CG2 THR A 188 -12.700 -3.467 6.534 1.00 0.00 C ATOM 0 H THR A 188 -11.838 -3.201 4.626 1.00 0.00 H new ATOM 0 HA THR A 188 -12.012 -0.546 5.607 1.00 0.00 H new ATOM 0 HB THR A 188 -12.507 -1.586 7.555 1.00 0.00 H new ATOM 0 HG1 THR A 188 -11.061 -3.174 8.490 1.00 0.00 H new ATOM 0 HG21 THR A 188 -13.022 -4.009 7.423 1.00 0.00 H new ATOM 0 HG22 THR A 188 -13.575 -3.145 5.969 1.00 0.00 H new ATOM 0 HG23 THR A 188 -12.088 -4.121 5.913 1.00 0.00 H new ATOM 880 N GLY A 189 -9.045 -1.730 5.192 1.00 0.00 N ATOM 881 CA GLY A 189 -7.623 -1.437 5.311 1.00 0.00 C ATOM 882 C GLY A 189 -6.841 -2.041 4.156 1.00 0.00 C ATOM 883 O GLY A 189 -7.338 -2.923 3.455 1.00 0.00 O ATOM 0 H GLY A 189 -9.273 -2.483 4.543 1.00 0.00 H new ATOM 0 HA2 GLY A 189 -7.471 -0.358 5.332 1.00 0.00 H new ATOM 0 HA3 GLY A 189 -7.245 -1.830 6.255 1.00 0.00 H new ATOM 887 N VAL A 190 -5.612 -1.564 3.956 1.00 0.00 N ATOM 888 CA VAL A 190 -4.775 -2.071 2.869 1.00 0.00 C ATOM 889 C VAL A 190 -3.305 -2.161 3.274 1.00 0.00 C ATOM 890 O VAL A 190 -2.795 -1.314 4.007 1.00 0.00 O ATOM 891 CB VAL A 190 -4.927 -1.163 1.634 1.00 0.00 C ATOM 892 CG1 VAL A 190 -4.488 0.264 1.986 1.00 0.00 C ATOM 893 CG2 VAL A 190 -4.077 -1.697 0.449 1.00 0.00 C ATOM 0 H VAL A 190 -5.178 -0.837 4.525 1.00 0.00 H new ATOM 0 HA VAL A 190 -5.110 -3.080 2.631 1.00 0.00 H new ATOM 0 HB VAL A 190 -5.975 -1.160 1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 190 -4.596 0.904 1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 190 -5.110 0.647 2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 190 -3.445 0.256 2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 190 -4.200 -1.040 -0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 190 -3.026 -1.724 0.738 1.00 0.00 H new ATOM 0 HG23 VAL A 190 -4.407 -2.702 0.188 1.00 0.00 H new ATOM 903 N GLU A 191 -2.629 -3.198 2.773 1.00 0.00 N ATOM 904 CA GLU A 191 -1.206 -3.410 3.055 1.00 0.00 C ATOM 905 C GLU A 191 -0.384 -3.199 1.789 1.00 0.00 C ATOM 906 O GLU A 191 -0.791 -3.602 0.699 1.00 0.00 O ATOM 907 CB GLU A 191 -0.987 -4.829 3.604 1.00 0.00 C ATOM 908 CG GLU A 191 -1.226 -5.895 2.526 1.00 0.00 C ATOM 909 CD GLU A 191 -0.945 -7.279 3.102 1.00 0.00 C ATOM 910 OE1 GLU A 191 -0.080 -7.378 3.956 1.00 0.00 O ATOM 911 OE2 GLU A 191 -1.599 -8.218 2.679 1.00 0.00 O ATOM 0 H GLU A 191 -3.045 -3.906 2.168 1.00 0.00 H new ATOM 0 HA GLU A 191 -0.881 -2.689 3.805 1.00 0.00 H new ATOM 0 HB2 GLU A 191 0.030 -4.919 3.986 1.00 0.00 H new ATOM 0 HB3 GLU A 191 -1.660 -5.003 4.444 1.00 0.00 H new ATOM 0 HG2 GLU A 191 -2.254 -5.841 2.169 1.00 0.00 H new ATOM 0 HG3 GLU A 191 -0.580 -5.710 1.668 1.00 0.00 H new ATOM 918 N PHE A 192 0.781 -2.568 1.933 1.00 0.00 N ATOM 919 CA PHE A 192 1.651 -2.321 0.784 1.00 0.00 C ATOM 920 C PHE A 192 3.107 -2.235 1.214 1.00 0.00 C ATOM 921 O PHE A 192 3.421 -1.764 2.308 1.00 0.00 O ATOM 922 CB PHE A 192 1.247 -1.031 0.065 1.00 0.00 C ATOM 923 CG PHE A 192 1.125 0.117 1.041 1.00 0.00 C ATOM 924 CD1 PHE A 192 0.043 0.169 1.932 1.00 0.00 C ATOM 925 CD2 PHE A 192 2.081 1.141 1.042 1.00 0.00 C ATOM 926 CE1 PHE A 192 -0.077 1.241 2.825 1.00 0.00 C ATOM 927 CE2 PHE A 192 1.958 2.213 1.933 1.00 0.00 C ATOM 928 CZ PHE A 192 0.880 2.262 2.824 1.00 0.00 C ATOM 0 H PHE A 192 1.141 -2.222 2.823 1.00 0.00 H new ATOM 0 HA PHE A 192 1.538 -3.159 0.096 1.00 0.00 H new ATOM 0 HB2 PHE A 192 1.987 -0.788 -0.697 1.00 0.00 H new ATOM 0 HB3 PHE A 192 0.297 -1.179 -0.449 1.00 0.00 H new ATOM 0 HD1 PHE A 192 -0.697 -0.617 1.929 1.00 0.00 H new ATOM 0 HD2 PHE A 192 2.913 1.103 0.355 1.00 0.00 H new ATOM 0 HE1 PHE A 192 -0.908 1.280 3.514 1.00 0.00 H new ATOM 0 HE2 PHE A 192 2.695 3.002 1.933 1.00 0.00 H new ATOM 0 HZ PHE A 192 0.786 3.089 3.512 1.00 0.00 H new ATOM 938 N VAL A 193 3.998 -2.702 0.339 1.00 0.00 N ATOM 939 CA VAL A 193 5.436 -2.684 0.623 1.00 0.00 C ATOM 940 C VAL A 193 6.110 -1.518 -0.088 1.00 0.00 C ATOM 941 O VAL A 193 5.675 -1.096 -1.161 1.00 0.00 O ATOM 942 CB VAL A 193 6.079 -3.995 0.157 1.00 0.00 C ATOM 943 CG1 VAL A 193 7.600 -3.926 0.349 1.00 0.00 C ATOM 944 CG2 VAL A 193 5.518 -5.158 0.978 1.00 0.00 C ATOM 0 H VAL A 193 3.752 -3.096 -0.569 1.00 0.00 H new ATOM 0 HA VAL A 193 5.569 -2.570 1.699 1.00 0.00 H new ATOM 0 HB VAL A 193 5.855 -4.148 -0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 193 8.052 -4.861 0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 193 8.003 -3.099 -0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 193 7.827 -3.769 1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 193 5.975 -6.091 0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 193 5.741 -4.999 2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 193 4.438 -5.214 0.839 1.00 0.00 H new ATOM 954 N CYS A 194 7.180 -1.005 0.518 1.00 0.00 N ATOM 955 CA CYS A 194 7.930 0.114 -0.057 1.00 0.00 C ATOM 956 C CYS A 194 9.370 -0.303 -0.339 1.00 0.00 C ATOM 957 O CYS A 194 9.904 -1.190 0.325 1.00 0.00 O ATOM 958 CB CYS A 194 7.928 1.298 0.913 1.00 0.00 C ATOM 959 SG CYS A 194 6.301 2.087 0.900 1.00 0.00 S ATOM 0 H CYS A 194 7.548 -1.345 1.406 1.00 0.00 H new ATOM 0 HA CYS A 194 7.452 0.407 -0.992 1.00 0.00 H new ATOM 0 HB2 CYS A 194 8.170 0.957 1.920 1.00 0.00 H new ATOM 0 HB3 CYS A 194 8.695 2.018 0.627 1.00 0.00 H new ATOM 964 N CYS A 195 9.996 0.343 -1.324 1.00 0.00 N ATOM 965 CA CYS A 195 11.383 0.026 -1.683 1.00 0.00 C ATOM 966 C CYS A 195 12.158 1.310 -2.025 1.00 0.00 C ATOM 967 O CYS A 195 11.581 2.252 -2.564 1.00 0.00 O ATOM 968 CB CYS A 195 11.390 -0.931 -2.878 1.00 0.00 C ATOM 969 SG CYS A 195 11.009 -2.607 -2.302 1.00 0.00 S ATOM 0 H CYS A 195 9.571 1.082 -1.884 1.00 0.00 H new ATOM 0 HA CYS A 195 11.872 -0.451 -0.834 1.00 0.00 H new ATOM 0 HB2 CYS A 195 10.656 -0.613 -3.618 1.00 0.00 H new ATOM 0 HB3 CYS A 195 12.364 -0.914 -3.367 1.00 0.00 H new ATOM 974 N PRO A 196 13.441 1.375 -1.721 1.00 0.00 N ATOM 975 CA PRO A 196 14.275 2.588 -2.006 1.00 0.00 C ATOM 976 C PRO A 196 14.646 2.708 -3.484 1.00 0.00 C ATOM 977 O PRO A 196 15.438 3.571 -3.865 1.00 0.00 O ATOM 978 CB PRO A 196 15.520 2.362 -1.144 1.00 0.00 C ATOM 979 CG PRO A 196 15.672 0.878 -1.101 1.00 0.00 C ATOM 980 CD PRO A 196 14.247 0.318 -1.073 1.00 0.00 C ATOM 0 HA PRO A 196 13.748 3.515 -1.780 1.00 0.00 H new ATOM 0 HB2 PRO A 196 16.398 2.840 -1.579 1.00 0.00 H new ATOM 0 HB3 PRO A 196 15.393 2.778 -0.145 1.00 0.00 H new ATOM 0 HG2 PRO A 196 16.219 0.515 -1.971 1.00 0.00 H new ATOM 0 HG3 PRO A 196 16.233 0.567 -0.220 1.00 0.00 H new ATOM 0 HD2 PRO A 196 14.177 -0.626 -1.613 1.00 0.00 H new ATOM 0 HD3 PRO A 196 13.912 0.127 -0.053 1.00 0.00 H new ATOM 988 N ASN A 197 14.078 1.840 -4.310 1.00 0.00 N ATOM 989 CA ASN A 197 14.364 1.866 -5.738 1.00 0.00 C ATOM 990 C ASN A 197 14.259 3.291 -6.277 1.00 0.00 C ATOM 991 O ASN A 197 15.053 3.640 -7.135 1.00 0.00 O ATOM 992 CB ASN A 197 13.375 0.959 -6.477 1.00 0.00 C ATOM 993 CG ASN A 197 13.778 -0.504 -6.327 1.00 0.00 C ATOM 994 OD1 ASN A 197 14.889 -0.805 -5.891 1.00 0.00 O ATOM 995 ND2 ASN A 197 12.931 -1.436 -6.664 1.00 0.00 N ATOM 996 OXT ASN A 197 13.388 4.013 -5.821 1.00 0.00 O ATOM 0 H ASN A 197 13.422 1.115 -4.019 1.00 0.00 H new ATOM 0 HA ASN A 197 15.380 1.505 -5.900 1.00 0.00 H new ATOM 0 HB2 ASN A 197 12.370 1.108 -6.081 1.00 0.00 H new ATOM 0 HB3 ASN A 197 13.345 1.228 -7.533 1.00 0.00 H new ATOM 0 HD21 ASN A 197 13.188 -2.418 -6.567 1.00 0.00 H new ATOM 0 HD22 ASN A 197 12.011 -1.183 -7.025 1.00 0.00 H new TER 1003 ASN A 197