USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 424 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 179 CYS SG : rot -135:sc= -0.734 USER MOD Set 1.2: A 182 CYS SG : rot 180:sc= 0.0394 USER MOD Set 1.3: A 186 HIS : no HD1:sc= -3.69 K(o=-4.4,f=-2) USER MOD Set 2.1: A 157 HIS : no HD1:sc= -2.59 X(o=-2.4,f=-2.8!) USER MOD Set 2.2: A 178 TYR OH : rot 144:sc= 0.176 USER MOD Set 3.1: A 138 CYS SG : rot -101:sc= -4.2! USER MOD Set 3.2: A 143 CYS SG : rot 180:sc= 0 USER MOD Set 3.3: A 160 CYS SG : rot -47:sc= -0.824 USER MOD Set 3.4: A 163 CYS SG : rot 143:sc= -2.81! USER MOD Single : A 139 GLN : amide:sc= -1.58 K(o=-1.6,f=-2.3) USER MOD Single : A 148 SER OG : rot -126:sc= 1.29 USER MOD Single : A 151 LYS NZ :NH3+ 150:sc= -0.399 (180deg=-1.26!) USER MOD Single : A 153 TYR OH : rot 180:sc= -0.0329 USER MOD Single : A 154 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-3.4!) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 THR OG1 : rot 180:sc= 0 USER MOD Single : A 167 SER OG : rot 180:sc= 0.0916 USER MOD Single : A 175 ASN : amide:sc= -0.895 K(o=-0.89,f=-4!) USER MOD Single : A 176 LYS NZ :NH3+ 178:sc= -0.0316 (180deg=-0.039) USER MOD Single : A 180 GLN : amide:sc= -0.2 K(o=-0.2,f=-1.3!) USER MOD Single : A 181 GLN : amide:sc=-0.00315 K(o=-0.0032,f=-0.81) USER MOD Single : A 184 LYS NZ :NH3+ 170:sc= -0.475 (180deg=-0.934) USER MOD ----------------------------------------------------------------- ATOM 17 N ALA A 136 -7.744 19.310 -12.409 1.00 0.00 N ATOM 18 CA ALA A 136 -7.787 19.146 -10.961 1.00 0.00 C ATOM 19 C ALA A 136 -9.193 19.382 -10.423 1.00 0.00 C ATOM 20 O ALA A 136 -9.527 20.487 -9.996 1.00 0.00 O ATOM 21 CB ALA A 136 -6.799 20.093 -10.294 1.00 0.00 C ATOM 0 HA ALA A 136 -7.505 18.119 -10.728 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -6.841 19.960 -9.213 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -5.791 19.875 -10.647 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -7.056 21.122 -10.544 1.00 0.00 H new ATOM 27 N ARG A 137 -10.013 18.337 -10.450 1.00 0.00 N ATOM 28 CA ARG A 137 -11.386 18.434 -9.967 1.00 0.00 C ATOM 29 C ARG A 137 -11.949 17.052 -9.648 1.00 0.00 C ATOM 30 O ARG A 137 -12.073 16.204 -10.531 1.00 0.00 O ATOM 31 CB ARG A 137 -12.264 19.127 -11.013 1.00 0.00 C ATOM 32 CG ARG A 137 -13.735 19.207 -10.622 1.00 0.00 C ATOM 33 CD ARG A 137 -14.616 18.415 -11.576 1.00 0.00 C ATOM 34 NE ARG A 137 -15.528 19.277 -12.323 1.00 0.00 N ATOM 35 CZ ARG A 137 -15.184 19.948 -13.421 1.00 0.00 C ATOM 36 NH1 ARG A 137 -13.949 19.863 -13.901 1.00 0.00 N ATOM 37 NH2 ARG A 137 -16.078 20.707 -14.041 1.00 0.00 N ATOM 0 H ARG A 137 -9.752 17.415 -10.800 1.00 0.00 H new ATOM 0 HA ARG A 137 -11.385 19.025 -9.051 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -11.886 20.136 -11.181 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -12.177 18.593 -11.959 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -13.863 18.827 -9.608 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -14.053 20.250 -10.614 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -13.988 17.861 -12.274 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -15.191 17.680 -11.013 1.00 0.00 H new ATOM 0 HE ARG A 137 -16.485 19.371 -11.984 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -13.257 19.281 -13.429 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -13.692 20.379 -14.742 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -17.028 20.777 -13.677 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -15.815 21.221 -14.882 1.00 0.00 H new ATOM 51 N CYS A 138 -12.298 16.831 -8.381 1.00 0.00 N ATOM 52 CA CYS A 138 -12.855 15.552 -7.964 1.00 0.00 C ATOM 53 C CYS A 138 -14.159 15.278 -8.702 1.00 0.00 C ATOM 54 O CYS A 138 -15.228 15.727 -8.287 1.00 0.00 O ATOM 55 CB CYS A 138 -13.091 15.531 -6.452 1.00 0.00 C ATOM 56 SG CYS A 138 -13.250 13.868 -5.762 1.00 0.00 S ATOM 0 H CYS A 138 -12.204 17.518 -7.633 1.00 0.00 H new ATOM 0 HA CYS A 138 -12.138 14.770 -8.212 1.00 0.00 H new ATOM 0 HB2 CYS A 138 -12.265 16.042 -5.958 1.00 0.00 H new ATOM 0 HB3 CYS A 138 -13.996 16.096 -6.227 1.00 0.00 H new ATOM 0 HG CYS A 138 -14.507 13.594 -5.575 1.00 0.00 H new ATOM 61 N GLN A 139 -14.054 14.551 -9.812 1.00 0.00 N ATOM 62 CA GLN A 139 -15.215 14.226 -10.636 1.00 0.00 C ATOM 63 C GLN A 139 -15.918 12.955 -10.157 1.00 0.00 C ATOM 64 O GLN A 139 -16.321 12.120 -10.966 1.00 0.00 O ATOM 65 CB GLN A 139 -14.797 14.068 -12.100 1.00 0.00 C ATOM 66 CG GLN A 139 -13.708 13.027 -12.318 1.00 0.00 C ATOM 67 CD GLN A 139 -14.265 11.668 -12.695 1.00 0.00 C ATOM 68 OE1 GLN A 139 -15.191 11.564 -13.499 1.00 0.00 O ATOM 69 NE2 GLN A 139 -13.699 10.616 -12.114 1.00 0.00 N ATOM 0 H GLN A 139 -13.173 14.175 -10.162 1.00 0.00 H new ATOM 0 HA GLN A 139 -15.921 15.052 -10.544 1.00 0.00 H new ATOM 0 HB2 GLN A 139 -15.671 13.795 -12.691 1.00 0.00 H new ATOM 0 HB3 GLN A 139 -14.447 15.030 -12.474 1.00 0.00 H new ATOM 0 HG2 GLN A 139 -13.035 13.370 -13.104 1.00 0.00 H new ATOM 0 HG3 GLN A 139 -13.114 12.932 -11.409 1.00 0.00 H new ATOM 0 HE21 GLN A 139 -12.933 10.749 -11.453 1.00 0.00 H new ATOM 0 HE22 GLN A 139 -14.030 9.675 -12.329 1.00 0.00 H new ATOM 78 N VAL A 140 -16.078 12.819 -8.846 1.00 0.00 N ATOM 79 CA VAL A 140 -16.749 11.655 -8.283 1.00 0.00 C ATOM 80 C VAL A 140 -18.250 11.917 -8.156 1.00 0.00 C ATOM 81 O VAL A 140 -18.660 12.919 -7.573 1.00 0.00 O ATOM 82 CB VAL A 140 -16.177 11.287 -6.899 1.00 0.00 C ATOM 83 CG1 VAL A 140 -16.707 9.938 -6.438 1.00 0.00 C ATOM 84 CG2 VAL A 140 -14.655 11.282 -6.933 1.00 0.00 C ATOM 0 H VAL A 140 -15.754 13.497 -8.156 1.00 0.00 H new ATOM 0 HA VAL A 140 -16.578 10.819 -8.961 1.00 0.00 H new ATOM 0 HB VAL A 140 -16.502 12.043 -6.184 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -16.290 9.698 -5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -17.794 9.978 -6.370 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -16.417 9.169 -7.154 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -14.270 11.020 -5.947 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -14.310 10.550 -7.664 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -14.294 12.272 -7.212 1.00 0.00 H new ATOM 94 N PRO A 141 -19.098 11.027 -8.706 1.00 0.00 N ATOM 95 CA PRO A 141 -20.553 11.184 -8.652 1.00 0.00 C ATOM 96 C PRO A 141 -21.048 11.560 -7.257 1.00 0.00 C ATOM 97 O PRO A 141 -21.764 12.545 -7.088 1.00 0.00 O ATOM 98 CB PRO A 141 -21.094 9.805 -9.065 1.00 0.00 C ATOM 99 CG PRO A 141 -19.900 8.910 -9.186 1.00 0.00 C ATOM 100 CD PRO A 141 -18.720 9.807 -9.427 1.00 0.00 C ATOM 0 HA PRO A 141 -20.892 11.992 -9.300 1.00 0.00 H new ATOM 0 HB2 PRO A 141 -21.794 9.423 -8.322 1.00 0.00 H new ATOM 0 HB3 PRO A 141 -21.633 9.865 -10.010 1.00 0.00 H new ATOM 0 HG2 PRO A 141 -19.762 8.322 -8.279 1.00 0.00 H new ATOM 0 HG3 PRO A 141 -20.025 8.204 -10.007 1.00 0.00 H new ATOM 0 HD2 PRO A 141 -17.797 9.376 -9.040 1.00 0.00 H new ATOM 0 HD3 PRO A 141 -18.563 9.995 -10.489 1.00 0.00 H new ATOM 108 N ASP A 142 -20.662 10.767 -6.265 1.00 0.00 N ATOM 109 CA ASP A 142 -21.066 11.018 -4.886 1.00 0.00 C ATOM 110 C ASP A 142 -20.279 12.175 -4.276 1.00 0.00 C ATOM 111 O ASP A 142 -20.683 12.740 -3.259 1.00 0.00 O ATOM 112 CB ASP A 142 -20.874 9.756 -4.042 1.00 0.00 C ATOM 113 CG ASP A 142 -19.457 9.221 -4.117 1.00 0.00 C ATOM 114 OD1 ASP A 142 -18.974 8.975 -5.241 1.00 0.00 O ATOM 115 OD2 ASP A 142 -18.831 9.047 -3.049 1.00 0.00 O ATOM 0 H ASP A 142 -20.070 9.945 -6.389 1.00 0.00 H new ATOM 0 HA ASP A 142 -22.121 11.292 -4.893 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -21.122 9.975 -3.004 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -21.568 8.987 -4.380 1.00 0.00 H new ATOM 120 N CYS A 143 -19.151 12.526 -4.893 1.00 0.00 N ATOM 121 CA CYS A 143 -18.320 13.614 -4.391 1.00 0.00 C ATOM 122 C CYS A 143 -17.797 14.487 -5.530 1.00 0.00 C ATOM 123 O CYS A 143 -16.705 14.257 -6.051 1.00 0.00 O ATOM 124 CB CYS A 143 -17.145 13.054 -3.586 1.00 0.00 C ATOM 125 SG CYS A 143 -16.056 14.320 -2.889 1.00 0.00 S ATOM 0 H CYS A 143 -18.795 12.075 -5.736 1.00 0.00 H new ATOM 0 HA CYS A 143 -18.940 14.234 -3.744 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -17.535 12.439 -2.775 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -16.557 12.399 -4.229 1.00 0.00 H new ATOM 0 HG CYS A 143 -15.095 13.748 -2.225 1.00 0.00 H new ATOM 130 N GLU A 144 -18.577 15.496 -5.904 1.00 0.00 N ATOM 131 CA GLU A 144 -18.185 16.411 -6.971 1.00 0.00 C ATOM 132 C GLU A 144 -17.491 17.637 -6.386 1.00 0.00 C ATOM 133 O GLU A 144 -18.063 18.726 -6.342 1.00 0.00 O ATOM 134 CB GLU A 144 -19.410 16.838 -7.784 1.00 0.00 C ATOM 135 CG GLU A 144 -19.984 15.727 -8.648 1.00 0.00 C ATOM 136 CD GLU A 144 -20.668 16.254 -9.894 1.00 0.00 C ATOM 137 OE1 GLU A 144 -21.310 17.321 -9.814 1.00 0.00 O ATOM 138 OE2 GLU A 144 -20.563 15.597 -10.952 1.00 0.00 O ATOM 0 H GLU A 144 -19.484 15.701 -5.485 1.00 0.00 H new ATOM 0 HA GLU A 144 -17.489 15.895 -7.632 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -20.183 17.193 -7.102 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -19.137 17.679 -8.422 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -19.184 15.046 -8.937 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -20.699 15.148 -8.063 1.00 0.00 H new ATOM 145 N ALA A 145 -16.261 17.446 -5.924 1.00 0.00 N ATOM 146 CA ALA A 145 -15.489 18.529 -5.325 1.00 0.00 C ATOM 147 C ALA A 145 -14.657 19.273 -6.364 1.00 0.00 C ATOM 148 O ALA A 145 -14.365 18.746 -7.439 1.00 0.00 O ATOM 149 CB ALA A 145 -14.590 17.986 -4.224 1.00 0.00 C ATOM 0 H ALA A 145 -15.776 16.549 -5.953 1.00 0.00 H new ATOM 0 HA ALA A 145 -16.195 19.240 -4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -14.019 18.804 -3.784 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -15.201 17.515 -3.454 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -13.905 17.249 -4.644 1.00 0.00 H new ATOM 155 N ASP A 146 -14.270 20.500 -6.027 1.00 0.00 N ATOM 156 CA ASP A 146 -13.464 21.325 -6.919 1.00 0.00 C ATOM 157 C ASP A 146 -12.064 21.528 -6.346 1.00 0.00 C ATOM 158 O ASP A 146 -11.814 22.486 -5.614 1.00 0.00 O ATOM 159 CB ASP A 146 -14.138 22.681 -7.143 1.00 0.00 C ATOM 160 CG ASP A 146 -13.954 23.190 -8.560 1.00 0.00 C ATOM 161 OD1 ASP A 146 -12.915 23.827 -8.831 1.00 0.00 O ATOM 162 OD2 ASP A 146 -14.849 22.952 -9.397 1.00 0.00 O ATOM 0 H ASP A 146 -14.503 20.945 -5.139 1.00 0.00 H new ATOM 0 HA ASP A 146 -13.378 20.810 -7.876 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -15.203 22.595 -6.926 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -13.728 23.408 -6.442 1.00 0.00 H new ATOM 167 N ILE A 147 -11.158 20.615 -6.681 1.00 0.00 N ATOM 168 CA ILE A 147 -9.784 20.684 -6.198 1.00 0.00 C ATOM 169 C ILE A 147 -8.877 21.387 -7.205 1.00 0.00 C ATOM 170 O ILE A 147 -7.748 20.956 -7.443 1.00 0.00 O ATOM 171 CB ILE A 147 -9.223 19.278 -5.913 1.00 0.00 C ATOM 172 CG1 ILE A 147 -9.403 18.375 -7.136 1.00 0.00 C ATOM 173 CG2 ILE A 147 -9.903 18.672 -4.694 1.00 0.00 C ATOM 174 CD1 ILE A 147 -8.173 17.559 -7.470 1.00 0.00 C ATOM 0 H ILE A 147 -11.351 19.817 -7.286 1.00 0.00 H new ATOM 0 HA ILE A 147 -9.802 21.258 -5.272 1.00 0.00 H new ATOM 0 HB ILE A 147 -8.157 19.364 -5.703 1.00 0.00 H new ATOM 0 HG12 ILE A 147 -10.240 17.700 -6.959 1.00 0.00 H new ATOM 0 HG13 ILE A 147 -9.666 18.990 -7.997 1.00 0.00 H new ATOM 0 HG21 ILE A 147 -9.495 17.679 -4.506 1.00 0.00 H new ATOM 0 HG22 ILE A 147 -9.726 19.307 -3.826 1.00 0.00 H new ATOM 0 HG23 ILE A 147 -10.975 18.596 -4.876 1.00 0.00 H new ATOM 0 HD11 ILE A 147 -8.372 16.943 -8.347 1.00 0.00 H new ATOM 0 HD12 ILE A 147 -7.338 18.228 -7.679 1.00 0.00 H new ATOM 0 HD13 ILE A 147 -7.921 16.918 -6.625 1.00 0.00 H new ATOM 186 N SER A 148 -9.374 22.470 -7.790 1.00 0.00 N ATOM 187 CA SER A 148 -8.605 23.231 -8.767 1.00 0.00 C ATOM 188 C SER A 148 -7.457 23.985 -8.099 1.00 0.00 C ATOM 189 O SER A 148 -6.476 24.344 -8.749 1.00 0.00 O ATOM 190 CB SER A 148 -9.511 24.213 -9.509 1.00 0.00 C ATOM 191 OG SER A 148 -10.451 24.806 -8.630 1.00 0.00 O ATOM 0 H SER A 148 -10.306 22.841 -7.605 1.00 0.00 H new ATOM 0 HA SER A 148 -8.181 22.525 -9.482 1.00 0.00 H new ATOM 0 HB2 SER A 148 -8.905 24.990 -9.976 1.00 0.00 H new ATOM 0 HB3 SER A 148 -10.036 23.693 -10.311 1.00 0.00 H new ATOM 0 HG SER A 148 -11.356 24.672 -8.981 1.00 0.00 H new ATOM 197 N GLU A 149 -7.587 24.226 -6.796 1.00 0.00 N ATOM 198 CA GLU A 149 -6.561 24.940 -6.046 1.00 0.00 C ATOM 199 C GLU A 149 -5.775 23.992 -5.145 1.00 0.00 C ATOM 200 O GLU A 149 -4.627 24.264 -4.792 1.00 0.00 O ATOM 201 CB GLU A 149 -7.196 26.050 -5.206 1.00 0.00 C ATOM 202 CG GLU A 149 -7.707 27.219 -6.031 1.00 0.00 C ATOM 203 CD GLU A 149 -8.263 28.339 -5.173 1.00 0.00 C ATOM 204 OE1 GLU A 149 -7.486 29.240 -4.795 1.00 0.00 O ATOM 205 OE2 GLU A 149 -9.478 28.316 -4.881 1.00 0.00 O ATOM 0 H GLU A 149 -8.392 23.937 -6.240 1.00 0.00 H new ATOM 0 HA GLU A 149 -5.869 25.382 -6.763 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -8.023 25.632 -4.632 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -6.462 26.416 -4.488 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -6.895 27.607 -6.647 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -8.483 26.867 -6.711 1.00 0.00 H new ATOM 212 N LEU A 150 -6.398 22.877 -4.772 1.00 0.00 N ATOM 213 CA LEU A 150 -5.755 21.889 -3.910 1.00 0.00 C ATOM 214 C LEU A 150 -4.411 21.450 -4.487 1.00 0.00 C ATOM 215 O LEU A 150 -4.194 21.514 -5.698 1.00 0.00 O ATOM 216 CB LEU A 150 -6.663 20.673 -3.726 1.00 0.00 C ATOM 217 CG LEU A 150 -6.356 19.813 -2.500 1.00 0.00 C ATOM 218 CD1 LEU A 150 -6.483 20.632 -1.226 1.00 0.00 C ATOM 219 CD2 LEU A 150 -7.280 18.604 -2.454 1.00 0.00 C ATOM 0 H LEU A 150 -7.348 22.635 -5.053 1.00 0.00 H new ATOM 0 HA LEU A 150 -5.579 22.354 -2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -7.695 21.017 -3.660 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.592 20.048 -4.616 1.00 0.00 H new ATOM 0 HG LEU A 150 -5.328 19.459 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -6.261 20.002 -0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -5.781 21.465 -1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -7.499 21.017 -1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -7.048 18.002 -1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -8.316 18.939 -2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -7.138 18.003 -3.353 1.00 0.00 H new ATOM 231 N LYS A 151 -3.516 21.001 -3.613 1.00 0.00 N ATOM 232 CA LYS A 151 -2.195 20.549 -4.035 1.00 0.00 C ATOM 233 C LYS A 151 -1.938 19.117 -3.578 1.00 0.00 C ATOM 234 O LYS A 151 -2.414 18.697 -2.522 1.00 0.00 O ATOM 235 CB LYS A 151 -1.114 21.478 -3.479 1.00 0.00 C ATOM 236 CG LYS A 151 -1.230 22.910 -3.974 1.00 0.00 C ATOM 237 CD LYS A 151 -0.639 23.893 -2.979 1.00 0.00 C ATOM 238 CE LYS A 151 0.860 24.048 -3.172 1.00 0.00 C ATOM 239 NZ LYS A 151 1.206 24.409 -4.575 1.00 0.00 N ATOM 0 H LYS A 151 -3.681 20.940 -2.608 1.00 0.00 H new ATOM 0 HA LYS A 151 -2.160 20.574 -5.124 1.00 0.00 H new ATOM 0 HB2 LYS A 151 -1.167 21.473 -2.390 1.00 0.00 H new ATOM 0 HB3 LYS A 151 -0.134 21.086 -3.752 1.00 0.00 H new ATOM 0 HG2 LYS A 151 -0.718 23.008 -4.931 1.00 0.00 H new ATOM 0 HG3 LYS A 151 -2.279 23.152 -4.147 1.00 0.00 H new ATOM 0 HD2 LYS A 151 -1.124 24.863 -3.093 1.00 0.00 H new ATOM 0 HD3 LYS A 151 -0.843 23.552 -1.964 1.00 0.00 H new ATOM 0 HE2 LYS A 151 1.235 24.817 -2.496 1.00 0.00 H new ATOM 0 HE3 LYS A 151 1.359 23.117 -2.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 151 2.076 24.979 -4.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 151 1.356 23.542 -5.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 151 0.429 24.958 -4.994 1.00 0.00 H new ATOM 253 N GLY A 152 -1.181 18.372 -4.378 1.00 0.00 N ATOM 254 CA GLY A 152 -0.875 16.995 -4.038 1.00 0.00 C ATOM 255 C GLY A 152 -1.147 16.042 -5.185 1.00 0.00 C ATOM 256 O GLY A 152 -1.536 16.464 -6.274 1.00 0.00 O ATOM 0 H GLY A 152 -0.774 18.698 -5.255 1.00 0.00 H new ATOM 0 HA2 GLY A 152 0.173 16.920 -3.747 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -1.468 16.697 -3.173 1.00 0.00 H new ATOM 260 N TYR A 153 -0.944 14.751 -4.941 1.00 0.00 N ATOM 261 CA TYR A 153 -1.170 13.736 -5.964 1.00 0.00 C ATOM 262 C TYR A 153 -2.631 13.722 -6.401 1.00 0.00 C ATOM 263 O TYR A 153 -2.934 13.567 -7.583 1.00 0.00 O ATOM 264 CB TYR A 153 -0.768 12.356 -5.440 1.00 0.00 C ATOM 265 CG TYR A 153 -1.362 12.020 -4.090 1.00 0.00 C ATOM 266 CD1 TYR A 153 -2.635 11.474 -3.986 1.00 0.00 C ATOM 267 CD2 TYR A 153 -0.649 12.251 -2.921 1.00 0.00 C ATOM 268 CE1 TYR A 153 -3.181 11.166 -2.754 1.00 0.00 C ATOM 269 CE2 TYR A 153 -1.187 11.944 -1.686 1.00 0.00 C ATOM 270 CZ TYR A 153 -2.452 11.404 -1.608 1.00 0.00 C ATOM 271 OH TYR A 153 -2.993 11.098 -0.379 1.00 0.00 O ATOM 0 H TYR A 153 -0.624 14.383 -4.045 1.00 0.00 H new ATOM 0 HA TYR A 153 -0.553 13.982 -6.828 1.00 0.00 H new ATOM 0 HB2 TYR A 153 -1.077 11.599 -6.161 1.00 0.00 H new ATOM 0 HB3 TYR A 153 0.319 12.306 -5.371 1.00 0.00 H new ATOM 0 HD1 TYR A 153 -3.208 11.287 -4.882 1.00 0.00 H new ATOM 0 HD2 TYR A 153 0.342 12.677 -2.978 1.00 0.00 H new ATOM 0 HE1 TYR A 153 -4.172 10.742 -2.689 1.00 0.00 H new ATOM 0 HE2 TYR A 153 -0.619 12.126 -0.786 1.00 0.00 H new ATOM 0 HH TYR A 153 -2.352 11.325 0.326 1.00 0.00 H new ATOM 281 N HIS A 154 -3.534 13.885 -5.438 1.00 0.00 N ATOM 282 CA HIS A 154 -4.966 13.890 -5.725 1.00 0.00 C ATOM 283 C HIS A 154 -5.326 14.980 -6.732 1.00 0.00 C ATOM 284 O HIS A 154 -6.370 14.916 -7.380 1.00 0.00 O ATOM 285 CB HIS A 154 -5.772 14.085 -4.437 1.00 0.00 C ATOM 286 CG HIS A 154 -5.192 15.098 -3.502 1.00 0.00 C ATOM 287 ND1 HIS A 154 -4.813 14.799 -2.210 1.00 0.00 N ATOM 288 CD2 HIS A 154 -4.934 16.418 -3.670 1.00 0.00 C ATOM 289 CE1 HIS A 154 -4.349 15.888 -1.624 1.00 0.00 C ATOM 290 NE2 HIS A 154 -4.412 16.884 -2.489 1.00 0.00 N ATOM 0 H HIS A 154 -3.300 14.015 -4.454 1.00 0.00 H new ATOM 0 HA HIS A 154 -5.218 12.923 -6.161 1.00 0.00 H new ATOM 0 HB2 HIS A 154 -6.787 14.386 -4.698 1.00 0.00 H new ATOM 0 HB3 HIS A 154 -5.846 13.129 -3.919 1.00 0.00 H new ATOM 0 HD2 HIS A 154 -5.107 16.996 -4.566 1.00 0.00 H new ATOM 0 HE1 HIS A 154 -3.981 15.953 -0.611 1.00 0.00 H new ATOM 0 HE2 HIS A 154 -4.120 17.844 -2.309 1.00 0.00 H new ATOM 298 N LYS A 155 -4.459 15.981 -6.860 1.00 0.00 N ATOM 299 CA LYS A 155 -4.697 17.080 -7.788 1.00 0.00 C ATOM 300 C LYS A 155 -4.601 16.605 -9.236 1.00 0.00 C ATOM 301 O LYS A 155 -5.439 16.950 -10.069 1.00 0.00 O ATOM 302 CB LYS A 155 -3.692 18.207 -7.545 1.00 0.00 C ATOM 303 CG LYS A 155 -4.045 19.502 -8.260 1.00 0.00 C ATOM 304 CD LYS A 155 -2.853 20.071 -9.012 1.00 0.00 C ATOM 305 CE LYS A 155 -2.162 21.166 -8.217 1.00 0.00 C ATOM 306 NZ LYS A 155 -0.995 21.732 -8.949 1.00 0.00 N ATOM 0 H LYS A 155 -3.588 16.053 -6.334 1.00 0.00 H new ATOM 0 HA LYS A 155 -5.706 17.455 -7.613 1.00 0.00 H new ATOM 0 HB2 LYS A 155 -3.626 18.399 -6.474 1.00 0.00 H new ATOM 0 HB3 LYS A 155 -2.705 17.879 -7.871 1.00 0.00 H new ATOM 0 HG2 LYS A 155 -4.863 19.321 -8.957 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -4.400 20.233 -7.534 1.00 0.00 H new ATOM 0 HD2 LYS A 155 -2.143 19.273 -9.227 1.00 0.00 H new ATOM 0 HD3 LYS A 155 -3.184 20.470 -9.971 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -2.875 21.962 -8.000 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -1.830 20.765 -7.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -0.551 22.476 -8.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -0.303 20.978 -9.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -1.315 22.138 -9.852 1.00 0.00 H new ATOM 320 N ARG A 156 -3.573 15.815 -9.528 1.00 0.00 N ATOM 321 CA ARG A 156 -3.366 15.297 -10.876 1.00 0.00 C ATOM 322 C ARG A 156 -4.064 13.951 -11.074 1.00 0.00 C ATOM 323 O ARG A 156 -3.563 13.087 -11.791 1.00 0.00 O ATOM 324 CB ARG A 156 -1.870 15.150 -11.161 1.00 0.00 C ATOM 325 CG ARG A 156 -1.538 15.058 -12.642 1.00 0.00 C ATOM 326 CD ARG A 156 -0.220 14.336 -12.872 1.00 0.00 C ATOM 327 NE ARG A 156 0.301 14.565 -14.218 1.00 0.00 N ATOM 328 CZ ARG A 156 -0.182 13.977 -15.310 1.00 0.00 C ATOM 329 NH1 ARG A 156 -1.199 13.129 -15.221 1.00 0.00 N ATOM 330 NH2 ARG A 156 0.352 14.239 -16.496 1.00 0.00 N ATOM 0 H ARG A 156 -2.871 15.520 -8.850 1.00 0.00 H new ATOM 0 HA ARG A 156 -3.802 16.011 -11.575 1.00 0.00 H new ATOM 0 HB2 ARG A 156 -1.342 16.001 -10.731 1.00 0.00 H new ATOM 0 HB3 ARG A 156 -1.499 14.257 -10.658 1.00 0.00 H new ATOM 0 HG2 ARG A 156 -2.338 14.533 -13.164 1.00 0.00 H new ATOM 0 HG3 ARG A 156 -1.484 16.060 -13.067 1.00 0.00 H new ATOM 0 HD2 ARG A 156 0.511 14.674 -12.138 1.00 0.00 H new ATOM 0 HD3 ARG A 156 -0.360 13.267 -12.714 1.00 0.00 H new ATOM 0 HE ARG A 156 1.081 15.214 -14.327 1.00 0.00 H new ATOM 0 HH11 ARG A 156 -1.615 12.925 -14.312 1.00 0.00 H new ATOM 0 HH12 ARG A 156 -1.565 12.681 -16.061 1.00 0.00 H new ATOM 0 HH21 ARG A 156 1.133 14.891 -16.571 1.00 0.00 H new ATOM 0 HH22 ARG A 156 -0.018 13.788 -17.333 1.00 0.00 H new ATOM 344 N HIS A 157 -5.220 13.778 -10.438 1.00 0.00 N ATOM 345 CA HIS A 157 -5.970 12.533 -10.558 1.00 0.00 C ATOM 346 C HIS A 157 -7.476 12.771 -10.433 1.00 0.00 C ATOM 347 O HIS A 157 -8.238 11.840 -10.172 1.00 0.00 O ATOM 348 CB HIS A 157 -5.510 11.534 -9.496 1.00 0.00 C ATOM 349 CG HIS A 157 -4.186 10.907 -9.804 1.00 0.00 C ATOM 350 ND1 HIS A 157 -3.951 10.162 -10.941 1.00 0.00 N ATOM 351 CD2 HIS A 157 -3.021 10.919 -9.117 1.00 0.00 C ATOM 352 CE1 HIS A 157 -2.698 9.742 -10.938 1.00 0.00 C ATOM 353 NE2 HIS A 157 -2.111 10.189 -9.842 1.00 0.00 N ATOM 0 H HIS A 157 -5.655 14.480 -9.838 1.00 0.00 H new ATOM 0 HA HIS A 157 -5.775 12.122 -11.549 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -5.448 12.041 -8.533 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -6.261 10.750 -9.396 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -2.840 11.411 -8.173 1.00 0.00 H new ATOM 0 HE1 HIS A 157 -2.233 9.136 -11.702 1.00 0.00 H new ATOM 0 HE2 HIS A 157 -1.141 10.020 -9.577 1.00 0.00 H new ATOM 361 N ARG A 158 -7.902 14.018 -10.628 1.00 0.00 N ATOM 362 CA ARG A 158 -9.319 14.368 -10.542 1.00 0.00 C ATOM 363 C ARG A 158 -9.946 13.834 -9.257 1.00 0.00 C ATOM 364 O ARG A 158 -11.014 13.219 -9.283 1.00 0.00 O ATOM 365 CB ARG A 158 -10.073 13.824 -11.758 1.00 0.00 C ATOM 366 CG ARG A 158 -9.597 14.409 -13.078 1.00 0.00 C ATOM 367 CD ARG A 158 -9.444 13.335 -14.142 1.00 0.00 C ATOM 368 NE ARG A 158 -8.627 12.216 -13.678 1.00 0.00 N ATOM 369 CZ ARG A 158 -8.606 11.020 -14.262 1.00 0.00 C ATOM 370 NH1 ARG A 158 -9.355 10.784 -15.332 1.00 0.00 N ATOM 371 NH2 ARG A 158 -7.835 10.058 -13.776 1.00 0.00 N ATOM 0 H ARG A 158 -7.287 14.802 -10.846 1.00 0.00 H new ATOM 0 HA ARG A 158 -9.395 15.455 -10.529 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -9.962 12.740 -11.789 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -11.136 14.033 -11.640 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -10.307 15.162 -13.420 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -8.643 14.914 -12.930 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -10.429 12.969 -14.432 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -8.991 13.770 -15.033 1.00 0.00 H new ATOM 0 HE ARG A 158 -8.038 12.360 -12.858 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -9.950 11.521 -15.710 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -9.335 9.866 -15.776 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -7.257 10.234 -12.954 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -7.819 9.142 -14.224 1.00 0.00 H new ATOM 385 N VAL A 159 -9.278 14.076 -8.135 1.00 0.00 N ATOM 386 CA VAL A 159 -9.768 13.625 -6.837 1.00 0.00 C ATOM 387 C VAL A 159 -9.352 14.596 -5.736 1.00 0.00 C ATOM 388 O VAL A 159 -8.382 15.339 -5.887 1.00 0.00 O ATOM 389 CB VAL A 159 -9.246 12.215 -6.501 1.00 0.00 C ATOM 390 CG1 VAL A 159 -7.726 12.192 -6.496 1.00 0.00 C ATOM 391 CG2 VAL A 159 -9.801 11.737 -5.166 1.00 0.00 C ATOM 0 H VAL A 159 -8.394 14.583 -8.098 1.00 0.00 H new ATOM 0 HA VAL A 159 -10.856 13.590 -6.894 1.00 0.00 H new ATOM 0 HB VAL A 159 -9.593 11.530 -7.275 1.00 0.00 H new ATOM 0 HG11 VAL A 159 -7.378 11.187 -6.257 1.00 0.00 H new ATOM 0 HG12 VAL A 159 -7.355 12.480 -7.479 1.00 0.00 H new ATOM 0 HG13 VAL A 159 -7.354 12.893 -5.748 1.00 0.00 H new ATOM 0 HG21 VAL A 159 -9.419 10.739 -4.949 1.00 0.00 H new ATOM 0 HG22 VAL A 159 -9.492 12.423 -4.377 1.00 0.00 H new ATOM 0 HG23 VAL A 159 -10.889 11.706 -5.215 1.00 0.00 H new ATOM 401 N CYS A 160 -10.093 14.594 -4.632 1.00 0.00 N ATOM 402 CA CYS A 160 -9.794 15.484 -3.515 1.00 0.00 C ATOM 403 C CYS A 160 -9.093 14.736 -2.384 1.00 0.00 C ATOM 404 O CYS A 160 -9.036 13.506 -2.379 1.00 0.00 O ATOM 405 CB CYS A 160 -11.080 16.145 -3.002 1.00 0.00 C ATOM 406 SG CYS A 160 -12.142 15.064 -2.012 1.00 0.00 S ATOM 0 H CYS A 160 -10.901 13.989 -4.487 1.00 0.00 H new ATOM 0 HA CYS A 160 -9.117 16.259 -3.874 1.00 0.00 H new ATOM 0 HB2 CYS A 160 -10.811 17.015 -2.403 1.00 0.00 H new ATOM 0 HB3 CYS A 160 -11.651 16.510 -3.856 1.00 0.00 H new ATOM 0 HG CYS A 160 -12.275 13.918 -2.612 1.00 0.00 H new ATOM 411 N LEU A 161 -8.561 15.488 -1.426 1.00 0.00 N ATOM 412 CA LEU A 161 -7.863 14.903 -0.286 1.00 0.00 C ATOM 413 C LEU A 161 -8.809 14.050 0.554 1.00 0.00 C ATOM 414 O LEU A 161 -8.422 13.001 1.069 1.00 0.00 O ATOM 415 CB LEU A 161 -7.245 16.004 0.578 1.00 0.00 C ATOM 416 CG LEU A 161 -6.345 15.508 1.712 1.00 0.00 C ATOM 417 CD1 LEU A 161 -5.168 16.450 1.912 1.00 0.00 C ATOM 418 CD2 LEU A 161 -7.141 15.366 3.000 1.00 0.00 C ATOM 0 H LEU A 161 -8.600 16.507 -1.416 1.00 0.00 H new ATOM 0 HA LEU A 161 -7.069 14.261 -0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 161 -6.664 16.666 -0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 161 -8.049 16.602 1.007 1.00 0.00 H new ATOM 0 HG LEU A 161 -5.956 14.527 1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 161 -4.540 16.080 2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 161 -4.583 16.501 0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 161 -5.537 17.445 2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 161 -6.485 15.012 3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 161 -7.559 16.333 3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 161 -7.949 14.650 2.851 1.00 0.00 H new ATOM 430 N ARG A 162 -10.048 14.511 0.690 1.00 0.00 N ATOM 431 CA ARG A 162 -11.050 13.792 1.470 1.00 0.00 C ATOM 432 C ARG A 162 -11.229 12.369 0.953 1.00 0.00 C ATOM 433 O ARG A 162 -11.494 11.446 1.723 1.00 0.00 O ATOM 434 CB ARG A 162 -12.387 14.534 1.429 1.00 0.00 C ATOM 435 CG ARG A 162 -13.355 14.107 2.520 1.00 0.00 C ATOM 436 CD ARG A 162 -13.000 14.736 3.856 1.00 0.00 C ATOM 437 NE ARG A 162 -13.745 15.970 4.096 1.00 0.00 N ATOM 438 CZ ARG A 162 -13.437 16.850 5.047 1.00 0.00 C ATOM 439 NH1 ARG A 162 -12.401 16.637 5.849 1.00 0.00 N ATOM 440 NH2 ARG A 162 -14.167 17.946 5.196 1.00 0.00 N ATOM 0 H ARG A 162 -10.383 15.379 0.271 1.00 0.00 H new ATOM 0 HA ARG A 162 -10.701 13.741 2.501 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -12.202 15.604 1.518 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -12.853 14.371 0.457 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -14.369 14.392 2.240 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -13.344 13.021 2.613 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -13.207 14.026 4.657 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -11.931 14.947 3.885 1.00 0.00 H new ATOM 0 HE ARG A 162 -14.548 16.169 3.500 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -11.835 15.795 5.739 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -12.170 17.315 6.575 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -14.964 18.115 4.583 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -13.932 18.620 5.924 1.00 0.00 H new ATOM 454 N CYS A 163 -11.082 12.198 -0.357 1.00 0.00 N ATOM 455 CA CYS A 163 -11.227 10.886 -0.977 1.00 0.00 C ATOM 456 C CYS A 163 -9.932 10.089 -0.867 1.00 0.00 C ATOM 457 O CYS A 163 -9.952 8.860 -0.786 1.00 0.00 O ATOM 458 CB CYS A 163 -11.627 11.033 -2.446 1.00 0.00 C ATOM 459 SG CYS A 163 -13.388 11.352 -2.701 1.00 0.00 S ATOM 0 H CYS A 163 -10.863 12.951 -1.009 1.00 0.00 H new ATOM 0 HA CYS A 163 -12.012 10.346 -0.448 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -11.053 11.847 -2.888 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -11.352 10.123 -2.979 1.00 0.00 H new ATOM 0 HG CYS A 163 -13.540 12.181 -3.691 1.00 0.00 H new ATOM 464 N ALA A 164 -8.805 10.795 -0.867 1.00 0.00 N ATOM 465 CA ALA A 164 -7.501 10.152 -0.766 1.00 0.00 C ATOM 466 C ALA A 164 -7.349 9.426 0.566 1.00 0.00 C ATOM 467 O ALA A 164 -6.689 8.390 0.649 1.00 0.00 O ATOM 468 CB ALA A 164 -6.393 11.180 -0.940 1.00 0.00 C ATOM 0 H ALA A 164 -8.770 11.812 -0.936 1.00 0.00 H new ATOM 0 HA ALA A 164 -7.424 9.412 -1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 164 -5.424 10.687 -0.862 1.00 0.00 H new ATOM 0 HB2 ALA A 164 -6.484 11.650 -1.919 1.00 0.00 H new ATOM 0 HB3 ALA A 164 -6.477 11.940 -0.163 1.00 0.00 H new ATOM 474 N THR A 165 -7.965 9.977 1.607 1.00 0.00 N ATOM 475 CA THR A 165 -7.901 9.382 2.937 1.00 0.00 C ATOM 476 C THR A 165 -9.125 8.513 3.211 1.00 0.00 C ATOM 477 O THR A 165 -9.071 7.584 4.017 1.00 0.00 O ATOM 478 CB THR A 165 -7.797 10.459 4.031 1.00 0.00 C ATOM 479 OG1 THR A 165 -8.934 11.331 3.973 1.00 0.00 O ATOM 480 CG2 THR A 165 -6.522 11.274 3.871 1.00 0.00 C ATOM 0 H THR A 165 -8.514 10.835 1.555 1.00 0.00 H new ATOM 0 HA THR A 165 -7.005 8.762 2.962 1.00 0.00 H new ATOM 0 HB THR A 165 -7.772 9.958 4.999 1.00 0.00 H new ATOM 0 HG1 THR A 165 -8.860 12.012 4.674 1.00 0.00 H new ATOM 0 HG21 THR A 165 -6.472 12.029 4.656 1.00 0.00 H new ATOM 0 HG22 THR A 165 -5.657 10.615 3.945 1.00 0.00 H new ATOM 0 HG23 THR A 165 -6.523 11.763 2.897 1.00 0.00 H new ATOM 488 N ALA A 166 -10.228 8.818 2.533 1.00 0.00 N ATOM 489 CA ALA A 166 -11.465 8.065 2.703 1.00 0.00 C ATOM 490 C ALA A 166 -11.289 6.604 2.293 1.00 0.00 C ATOM 491 O ALA A 166 -12.099 5.750 2.653 1.00 0.00 O ATOM 492 CB ALA A 166 -12.585 8.707 1.899 1.00 0.00 C ATOM 0 H ALA A 166 -10.289 9.582 1.860 1.00 0.00 H new ATOM 0 HA ALA A 166 -11.728 8.086 3.761 1.00 0.00 H new ATOM 0 HB1 ALA A 166 -13.503 8.136 2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 166 -12.740 9.730 2.243 1.00 0.00 H new ATOM 0 HB3 ALA A 166 -12.316 8.716 0.843 1.00 0.00 H new ATOM 498 N SER A 167 -10.228 6.321 1.537 1.00 0.00 N ATOM 499 CA SER A 167 -9.952 4.962 1.078 1.00 0.00 C ATOM 500 C SER A 167 -10.908 4.559 -0.038 1.00 0.00 C ATOM 501 O SER A 167 -10.490 4.319 -1.171 1.00 0.00 O ATOM 502 CB SER A 167 -10.055 3.968 2.239 1.00 0.00 C ATOM 503 OG SER A 167 -9.378 2.759 1.939 1.00 0.00 O ATOM 0 H SER A 167 -9.547 7.015 1.230 1.00 0.00 H new ATOM 0 HA SER A 167 -8.935 4.942 0.687 1.00 0.00 H new ATOM 0 HB2 SER A 167 -9.631 4.412 3.140 1.00 0.00 H new ATOM 0 HB3 SER A 167 -11.104 3.758 2.450 1.00 0.00 H new ATOM 0 HG SER A 167 -9.458 2.143 2.697 1.00 0.00 H new ATOM 509 N PHE A 168 -12.195 4.487 0.288 1.00 0.00 N ATOM 510 CA PHE A 168 -13.211 4.114 -0.691 1.00 0.00 C ATOM 511 C PHE A 168 -14.300 5.179 -0.777 1.00 0.00 C ATOM 512 O PHE A 168 -14.531 5.924 0.177 1.00 0.00 O ATOM 513 CB PHE A 168 -13.828 2.762 -0.328 1.00 0.00 C ATOM 514 CG PHE A 168 -14.594 2.777 0.963 1.00 0.00 C ATOM 515 CD1 PHE A 168 -13.934 2.670 2.178 1.00 0.00 C ATOM 516 CD2 PHE A 168 -15.975 2.897 0.963 1.00 0.00 C ATOM 517 CE1 PHE A 168 -14.637 2.685 3.368 1.00 0.00 C ATOM 518 CE2 PHE A 168 -16.683 2.911 2.150 1.00 0.00 C ATOM 519 CZ PHE A 168 -16.012 2.805 3.354 1.00 0.00 C ATOM 0 H PHE A 168 -12.559 4.682 1.221 1.00 0.00 H new ATOM 0 HA PHE A 168 -12.729 4.034 -1.666 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -14.494 2.449 -1.132 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -13.035 2.017 -0.262 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -12.858 2.574 2.195 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -16.504 2.980 0.025 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -14.111 2.603 4.308 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -17.759 3.005 2.137 1.00 0.00 H new ATOM 0 HZ PHE A 168 -16.563 2.816 4.283 1.00 0.00 H new ATOM 529 N VAL A 169 -14.967 5.245 -1.924 1.00 0.00 N ATOM 530 CA VAL A 169 -16.032 6.218 -2.135 1.00 0.00 C ATOM 531 C VAL A 169 -17.234 5.576 -2.818 1.00 0.00 C ATOM 532 O VAL A 169 -17.088 4.630 -3.593 1.00 0.00 O ATOM 533 CB VAL A 169 -15.548 7.406 -2.985 1.00 0.00 C ATOM 534 CG1 VAL A 169 -14.585 8.276 -2.192 1.00 0.00 C ATOM 535 CG2 VAL A 169 -14.896 6.911 -4.270 1.00 0.00 C ATOM 0 H VAL A 169 -14.789 4.636 -2.722 1.00 0.00 H new ATOM 0 HA VAL A 169 -16.327 6.582 -1.151 1.00 0.00 H new ATOM 0 HB VAL A 169 -16.413 8.014 -3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 169 -14.254 9.110 -2.811 1.00 0.00 H new ATOM 0 HG12 VAL A 169 -15.088 8.660 -1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 169 -13.721 7.683 -1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 169 -14.559 7.764 -4.859 1.00 0.00 H new ATOM 0 HG22 VAL A 169 -14.042 6.280 -4.025 1.00 0.00 H new ATOM 0 HG23 VAL A 169 -15.620 6.335 -4.847 1.00 0.00 H new ATOM 545 N VAL A 170 -18.421 6.097 -2.527 1.00 0.00 N ATOM 546 CA VAL A 170 -19.649 5.574 -3.115 1.00 0.00 C ATOM 547 C VAL A 170 -19.859 6.126 -4.523 1.00 0.00 C ATOM 548 O VAL A 170 -20.777 6.912 -4.764 1.00 0.00 O ATOM 549 CB VAL A 170 -20.877 5.915 -2.249 1.00 0.00 C ATOM 550 CG1 VAL A 170 -22.118 5.218 -2.784 1.00 0.00 C ATOM 551 CG2 VAL A 170 -20.628 5.537 -0.797 1.00 0.00 C ATOM 0 H VAL A 170 -18.559 6.880 -1.888 1.00 0.00 H new ATOM 0 HA VAL A 170 -19.542 4.490 -3.165 1.00 0.00 H new ATOM 0 HB VAL A 170 -21.045 6.991 -2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 170 -22.975 5.471 -2.160 1.00 0.00 H new ATOM 0 HG12 VAL A 170 -22.306 5.544 -3.807 1.00 0.00 H new ATOM 0 HG13 VAL A 170 -21.964 4.139 -2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 170 -21.506 5.785 -0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 170 -20.433 4.467 -0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 170 -19.766 6.088 -0.420 1.00 0.00 H new ATOM 561 N LEU A 171 -19.001 5.711 -5.448 1.00 0.00 N ATOM 562 CA LEU A 171 -19.091 6.164 -6.833 1.00 0.00 C ATOM 563 C LEU A 171 -20.456 5.834 -7.428 1.00 0.00 C ATOM 564 O LEU A 171 -21.363 5.393 -6.720 1.00 0.00 O ATOM 565 CB LEU A 171 -17.982 5.525 -7.671 1.00 0.00 C ATOM 566 CG LEU A 171 -17.383 6.432 -8.751 1.00 0.00 C ATOM 567 CD1 LEU A 171 -16.024 6.956 -8.315 1.00 0.00 C ATOM 568 CD2 LEU A 171 -17.269 5.690 -10.075 1.00 0.00 C ATOM 0 H LEU A 171 -18.235 5.062 -5.265 1.00 0.00 H new ATOM 0 HA LEU A 171 -18.967 7.247 -6.845 1.00 0.00 H new ATOM 0 HB2 LEU A 171 -17.183 5.203 -7.004 1.00 0.00 H new ATOM 0 HB3 LEU A 171 -18.379 4.629 -8.149 1.00 0.00 H new ATOM 0 HG LEU A 171 -18.051 7.282 -8.892 1.00 0.00 H new ATOM 0 HD11 LEU A 171 -15.614 7.598 -9.095 1.00 0.00 H new ATOM 0 HD12 LEU A 171 -16.133 7.528 -7.394 1.00 0.00 H new ATOM 0 HD13 LEU A 171 -15.349 6.118 -8.143 1.00 0.00 H new ATOM 0 HD21 LEU A 171 -16.841 6.352 -10.828 1.00 0.00 H new ATOM 0 HD22 LEU A 171 -16.625 4.819 -9.950 1.00 0.00 H new ATOM 0 HD23 LEU A 171 -18.259 5.366 -10.397 1.00 0.00 H new ATOM 580 N ASP A 172 -20.599 6.055 -8.733 1.00 0.00 N ATOM 581 CA ASP A 172 -21.856 5.787 -9.424 1.00 0.00 C ATOM 582 C ASP A 172 -22.321 4.351 -9.194 1.00 0.00 C ATOM 583 O ASP A 172 -21.963 3.443 -9.947 1.00 0.00 O ATOM 584 CB ASP A 172 -21.702 6.048 -10.924 1.00 0.00 C ATOM 585 CG ASP A 172 -23.037 6.142 -11.635 1.00 0.00 C ATOM 586 OD1 ASP A 172 -23.924 5.313 -11.345 1.00 0.00 O ATOM 587 OD2 ASP A 172 -23.197 7.046 -12.482 1.00 0.00 O ATOM 0 H ASP A 172 -19.859 6.419 -9.333 1.00 0.00 H new ATOM 0 HA ASP A 172 -22.610 6.460 -9.016 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -21.148 6.975 -11.074 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -21.111 5.248 -11.370 1.00 0.00 H new ATOM 592 N GLY A 173 -23.121 4.153 -8.152 1.00 0.00 N ATOM 593 CA GLY A 173 -23.628 2.827 -7.839 1.00 0.00 C ATOM 594 C GLY A 173 -22.532 1.783 -7.743 1.00 0.00 C ATOM 595 O GLY A 173 -22.775 0.597 -7.963 1.00 0.00 O ATOM 0 H GLY A 173 -23.429 4.889 -7.516 1.00 0.00 H new ATOM 0 HA2 GLY A 173 -24.170 2.865 -6.894 1.00 0.00 H new ATOM 0 HA3 GLY A 173 -24.343 2.527 -8.605 1.00 0.00 H new ATOM 599 N GLU A 174 -21.321 2.224 -7.414 1.00 0.00 N ATOM 600 CA GLU A 174 -20.188 1.315 -7.291 1.00 0.00 C ATOM 601 C GLU A 174 -19.113 1.903 -6.382 1.00 0.00 C ATOM 602 O GLU A 174 -18.674 3.036 -6.575 1.00 0.00 O ATOM 603 CB GLU A 174 -19.598 1.013 -8.670 1.00 0.00 C ATOM 604 CG GLU A 174 -20.375 -0.038 -9.446 1.00 0.00 C ATOM 605 CD GLU A 174 -19.471 -1.049 -10.126 1.00 0.00 C ATOM 606 OE1 GLU A 174 -19.047 -0.789 -11.271 1.00 0.00 O ATOM 607 OE2 GLU A 174 -19.188 -2.099 -9.511 1.00 0.00 O ATOM 0 H GLU A 174 -21.100 3.202 -7.228 1.00 0.00 H new ATOM 0 HA GLU A 174 -20.546 0.387 -6.845 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -19.567 1.934 -9.252 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -18.568 0.677 -8.550 1.00 0.00 H new ATOM 0 HG2 GLU A 174 -21.051 -0.559 -8.768 1.00 0.00 H new ATOM 0 HG3 GLU A 174 -20.993 0.454 -10.197 1.00 0.00 H new ATOM 614 N ASN A 175 -18.692 1.122 -5.392 1.00 0.00 N ATOM 615 CA ASN A 175 -17.666 1.562 -4.455 1.00 0.00 C ATOM 616 C ASN A 175 -16.272 1.298 -5.015 1.00 0.00 C ATOM 617 O ASN A 175 -15.836 0.150 -5.104 1.00 0.00 O ATOM 618 CB ASN A 175 -17.833 0.848 -3.113 1.00 0.00 C ATOM 619 CG ASN A 175 -19.138 1.203 -2.428 1.00 0.00 C ATOM 620 OD1 ASN A 175 -19.590 2.346 -2.482 1.00 0.00 O ATOM 621 ND2 ASN A 175 -19.752 0.220 -1.777 1.00 0.00 N ATOM 0 H ASN A 175 -19.046 0.181 -5.219 1.00 0.00 H new ATOM 0 HA ASN A 175 -17.781 2.635 -4.304 1.00 0.00 H new ATOM 0 HB2 ASN A 175 -17.790 -0.230 -3.270 1.00 0.00 H new ATOM 0 HB3 ASN A 175 -17.000 1.109 -2.460 1.00 0.00 H new ATOM 0 HD21 ASN A 175 -20.634 0.399 -1.297 1.00 0.00 H new ATOM 0 HD22 ASN A 175 -19.341 -0.714 -1.758 1.00 0.00 H new ATOM 628 N LYS A 176 -15.579 2.366 -5.393 1.00 0.00 N ATOM 629 CA LYS A 176 -14.235 2.249 -5.946 1.00 0.00 C ATOM 630 C LYS A 176 -13.182 2.621 -4.908 1.00 0.00 C ATOM 631 O LYS A 176 -13.484 3.275 -3.909 1.00 0.00 O ATOM 632 CB LYS A 176 -14.090 3.141 -7.179 1.00 0.00 C ATOM 633 CG LYS A 176 -15.169 2.913 -8.226 1.00 0.00 C ATOM 634 CD LYS A 176 -14.601 2.965 -9.636 1.00 0.00 C ATOM 635 CE LYS A 176 -15.607 2.465 -10.659 1.00 0.00 C ATOM 636 NZ LYS A 176 -14.975 2.217 -11.984 1.00 0.00 N ATOM 0 H LYS A 176 -15.926 3.323 -5.327 1.00 0.00 H new ATOM 0 HA LYS A 176 -14.079 1.210 -6.236 1.00 0.00 H new ATOM 0 HB2 LYS A 176 -14.114 4.185 -6.867 1.00 0.00 H new ATOM 0 HB3 LYS A 176 -13.114 2.966 -7.631 1.00 0.00 H new ATOM 0 HG2 LYS A 176 -15.640 1.945 -8.059 1.00 0.00 H new ATOM 0 HG3 LYS A 176 -15.947 3.669 -8.118 1.00 0.00 H new ATOM 0 HD2 LYS A 176 -14.314 3.989 -9.876 1.00 0.00 H new ATOM 0 HD3 LYS A 176 -13.696 2.360 -9.688 1.00 0.00 H new ATOM 0 HE2 LYS A 176 -16.065 1.545 -10.297 1.00 0.00 H new ATOM 0 HE3 LYS A 176 -16.407 3.197 -10.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 -15.687 1.845 -12.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 -14.589 3.108 -12.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 -14.206 1.525 -11.878 1.00 0.00 H new ATOM 650 N ARG A 177 -11.946 2.197 -5.148 1.00 0.00 N ATOM 651 CA ARG A 177 -10.848 2.485 -4.234 1.00 0.00 C ATOM 652 C ARG A 177 -9.689 3.154 -4.969 1.00 0.00 C ATOM 653 O ARG A 177 -9.303 2.728 -6.057 1.00 0.00 O ATOM 654 CB ARG A 177 -10.366 1.199 -3.560 1.00 0.00 C ATOM 655 CG ARG A 177 -9.944 1.391 -2.113 1.00 0.00 C ATOM 656 CD ARG A 177 -8.542 1.968 -2.014 1.00 0.00 C ATOM 657 NE ARG A 177 -8.064 2.010 -0.633 1.00 0.00 N ATOM 658 CZ ARG A 177 -6.869 2.476 -0.276 1.00 0.00 C ATOM 659 NH1 ARG A 177 -6.028 2.936 -1.192 1.00 0.00 N ATOM 660 NH2 ARG A 177 -6.514 2.479 1.002 1.00 0.00 N ATOM 0 H ARG A 177 -11.680 1.652 -5.968 1.00 0.00 H new ATOM 0 HA ARG A 177 -11.215 3.171 -3.470 1.00 0.00 H new ATOM 0 HB2 ARG A 177 -11.163 0.456 -3.602 1.00 0.00 H new ATOM 0 HB3 ARG A 177 -9.525 0.796 -4.124 1.00 0.00 H new ATOM 0 HG2 ARG A 177 -10.648 2.056 -1.613 1.00 0.00 H new ATOM 0 HG3 ARG A 177 -9.983 0.435 -1.592 1.00 0.00 H new ATOM 0 HD2 ARG A 177 -7.860 1.368 -2.616 1.00 0.00 H new ATOM 0 HD3 ARG A 177 -8.534 2.975 -2.431 1.00 0.00 H new ATOM 0 HE ARG A 177 -8.682 1.662 0.100 1.00 0.00 H new ATOM 0 HH11 ARG A 177 -6.295 2.934 -2.176 1.00 0.00 H new ATOM 0 HH12 ARG A 177 -5.114 3.292 -0.912 1.00 0.00 H new ATOM 0 HH21 ARG A 177 -7.156 2.124 1.711 1.00 0.00 H new ATOM 0 HH22 ARG A 177 -5.599 2.836 1.276 1.00 0.00 H new ATOM 674 N TYR A 178 -9.140 4.203 -4.365 1.00 0.00 N ATOM 675 CA TYR A 178 -8.025 4.931 -4.961 1.00 0.00 C ATOM 676 C TYR A 178 -6.797 4.036 -5.094 1.00 0.00 C ATOM 677 O TYR A 178 -6.171 3.671 -4.099 1.00 0.00 O ATOM 678 CB TYR A 178 -7.687 6.162 -4.117 1.00 0.00 C ATOM 679 CG TYR A 178 -6.588 7.019 -4.706 1.00 0.00 C ATOM 680 CD1 TYR A 178 -6.869 7.963 -5.686 1.00 0.00 C ATOM 681 CD2 TYR A 178 -5.273 6.884 -4.282 1.00 0.00 C ATOM 682 CE1 TYR A 178 -5.868 8.748 -6.227 1.00 0.00 C ATOM 683 CE2 TYR A 178 -4.267 7.665 -4.817 1.00 0.00 C ATOM 684 CZ TYR A 178 -4.570 8.596 -5.789 1.00 0.00 C ATOM 685 OH TYR A 178 -3.571 9.377 -6.324 1.00 0.00 O ATOM 0 H TYR A 178 -9.449 4.568 -3.464 1.00 0.00 H new ATOM 0 HA TYR A 178 -8.324 5.253 -5.959 1.00 0.00 H new ATOM 0 HB2 TYR A 178 -8.585 6.769 -3.999 1.00 0.00 H new ATOM 0 HB3 TYR A 178 -7.388 5.838 -3.120 1.00 0.00 H new ATOM 0 HD1 TYR A 178 -7.885 8.085 -6.030 1.00 0.00 H new ATOM 0 HD2 TYR A 178 -5.032 6.156 -3.521 1.00 0.00 H new ATOM 0 HE1 TYR A 178 -6.102 9.477 -6.989 1.00 0.00 H new ATOM 0 HE2 TYR A 178 -3.249 7.547 -4.476 1.00 0.00 H new ATOM 0 HH TYR A 178 -2.920 9.599 -5.626 1.00 0.00 H new ATOM 695 N CYS A 179 -6.460 3.684 -6.330 1.00 0.00 N ATOM 696 CA CYS A 179 -5.307 2.829 -6.596 1.00 0.00 C ATOM 697 C CYS A 179 -4.006 3.613 -6.466 1.00 0.00 C ATOM 698 O CYS A 179 -3.709 4.483 -7.287 1.00 0.00 O ATOM 699 CB CYS A 179 -5.412 2.218 -7.995 1.00 0.00 C ATOM 700 SG CYS A 179 -4.035 1.133 -8.438 1.00 0.00 S ATOM 0 H CYS A 179 -6.968 3.977 -7.164 1.00 0.00 H new ATOM 0 HA CYS A 179 -5.301 2.028 -5.857 1.00 0.00 H new ATOM 0 HB2 CYS A 179 -6.341 1.652 -8.063 1.00 0.00 H new ATOM 0 HB3 CYS A 179 -5.475 3.023 -8.727 1.00 0.00 H new ATOM 0 HG CYS A 179 -3.646 1.398 -9.650 1.00 0.00 H new ATOM 705 N GLN A 180 -3.231 3.297 -5.433 1.00 0.00 N ATOM 706 CA GLN A 180 -1.957 3.966 -5.190 1.00 0.00 C ATOM 707 C GLN A 180 -0.910 3.524 -6.207 1.00 0.00 C ATOM 708 O GLN A 180 0.155 3.024 -5.846 1.00 0.00 O ATOM 709 CB GLN A 180 -1.467 3.673 -3.771 1.00 0.00 C ATOM 710 CG GLN A 180 -1.974 4.663 -2.736 1.00 0.00 C ATOM 711 CD GLN A 180 -0.865 5.518 -2.151 1.00 0.00 C ATOM 712 OE1 GLN A 180 0.191 5.687 -2.762 1.00 0.00 O ATOM 713 NE2 GLN A 180 -1.099 6.060 -0.962 1.00 0.00 N ATOM 0 H GLN A 180 -3.464 2.578 -4.748 1.00 0.00 H new ATOM 0 HA GLN A 180 -2.110 5.040 -5.298 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -1.783 2.669 -3.487 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -0.377 3.679 -3.764 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -2.723 5.310 -3.194 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -2.471 4.120 -1.932 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -1.989 5.893 -0.492 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -0.389 6.643 -0.519 1.00 0.00 H new ATOM 722 N GLN A 181 -1.227 3.712 -7.482 1.00 0.00 N ATOM 723 CA GLN A 181 -0.325 3.338 -8.562 1.00 0.00 C ATOM 724 C GLN A 181 -0.746 3.999 -9.871 1.00 0.00 C ATOM 725 O GLN A 181 0.093 4.449 -10.650 1.00 0.00 O ATOM 726 CB GLN A 181 -0.299 1.819 -8.731 1.00 0.00 C ATOM 727 CG GLN A 181 0.652 1.116 -7.776 1.00 0.00 C ATOM 728 CD GLN A 181 1.065 -0.258 -8.271 1.00 0.00 C ATOM 729 OE1 GLN A 181 0.456 -0.808 -9.188 1.00 0.00 O ATOM 730 NE2 GLN A 181 2.103 -0.818 -7.663 1.00 0.00 N ATOM 0 H GLN A 181 -2.107 4.123 -7.794 1.00 0.00 H new ATOM 0 HA GLN A 181 0.676 3.684 -8.304 1.00 0.00 H new ATOM 0 HB2 GLN A 181 -1.305 1.428 -8.581 1.00 0.00 H new ATOM 0 HB3 GLN A 181 -0.013 1.581 -9.756 1.00 0.00 H new ATOM 0 HG2 GLN A 181 1.541 1.731 -7.637 1.00 0.00 H new ATOM 0 HG3 GLN A 181 0.176 1.019 -6.800 1.00 0.00 H new ATOM 0 HE21 GLN A 181 2.578 -0.325 -6.907 1.00 0.00 H new ATOM 0 HE22 GLN A 181 2.426 -1.741 -7.952 1.00 0.00 H new ATOM 739 N CYS A 182 -2.053 4.054 -10.106 1.00 0.00 N ATOM 740 CA CYS A 182 -2.587 4.662 -11.320 1.00 0.00 C ATOM 741 C CYS A 182 -3.330 5.955 -11.001 1.00 0.00 C ATOM 742 O CYS A 182 -3.404 6.862 -11.830 1.00 0.00 O ATOM 743 CB CYS A 182 -3.525 3.686 -12.037 1.00 0.00 C ATOM 744 SG CYS A 182 -2.885 2.001 -12.163 1.00 0.00 S ATOM 0 H CYS A 182 -2.762 3.685 -9.472 1.00 0.00 H new ATOM 0 HA CYS A 182 -1.748 4.898 -11.975 1.00 0.00 H new ATOM 0 HB2 CYS A 182 -4.478 3.662 -11.509 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -3.725 4.063 -13.040 1.00 0.00 H new ATOM 0 HG CYS A 182 -3.750 1.253 -12.782 1.00 0.00 H new ATOM 749 N GLY A 183 -3.883 6.034 -9.794 1.00 0.00 N ATOM 750 CA GLY A 183 -4.615 7.220 -9.389 1.00 0.00 C ATOM 751 C GLY A 183 -6.106 7.090 -9.632 1.00 0.00 C ATOM 752 O GLY A 183 -6.914 7.506 -8.803 1.00 0.00 O ATOM 0 H GLY A 183 -3.837 5.298 -9.090 1.00 0.00 H new ATOM 0 HA2 GLY A 183 -4.437 7.409 -8.330 1.00 0.00 H new ATOM 0 HA3 GLY A 183 -4.234 8.083 -9.936 1.00 0.00 H new ATOM 756 N LYS A 184 -6.469 6.509 -10.772 1.00 0.00 N ATOM 757 CA LYS A 184 -7.873 6.323 -11.121 1.00 0.00 C ATOM 758 C LYS A 184 -8.595 5.502 -10.059 1.00 0.00 C ATOM 759 O LYS A 184 -7.963 4.856 -9.223 1.00 0.00 O ATOM 760 CB LYS A 184 -7.994 5.638 -12.483 1.00 0.00 C ATOM 761 CG LYS A 184 -7.255 4.311 -12.563 1.00 0.00 C ATOM 762 CD LYS A 184 -6.414 4.213 -13.826 1.00 0.00 C ATOM 763 CE LYS A 184 -7.215 3.642 -14.985 1.00 0.00 C ATOM 764 NZ LYS A 184 -8.561 4.272 -15.093 1.00 0.00 N ATOM 0 H LYS A 184 -5.811 6.160 -11.469 1.00 0.00 H new ATOM 0 HA LYS A 184 -8.342 7.306 -11.173 1.00 0.00 H new ATOM 0 HB2 LYS A 184 -9.048 5.472 -12.705 1.00 0.00 H new ATOM 0 HB3 LYS A 184 -7.608 6.307 -13.253 1.00 0.00 H new ATOM 0 HG2 LYS A 184 -6.614 4.198 -11.689 1.00 0.00 H new ATOM 0 HG3 LYS A 184 -7.974 3.492 -12.539 1.00 0.00 H new ATOM 0 HD2 LYS A 184 -6.040 5.201 -14.093 1.00 0.00 H new ATOM 0 HD3 LYS A 184 -5.545 3.583 -13.638 1.00 0.00 H new ATOM 0 HE2 LYS A 184 -6.667 3.794 -15.915 1.00 0.00 H new ATOM 0 HE3 LYS A 184 -7.327 2.566 -14.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 184 -9.009 3.984 -15.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 184 -9.153 3.966 -14.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 184 -8.462 5.307 -15.074 1.00 0.00 H new ATOM 778 N PHE A 185 -9.923 5.532 -10.095 1.00 0.00 N ATOM 779 CA PHE A 185 -10.731 4.790 -9.135 1.00 0.00 C ATOM 780 C PHE A 185 -11.036 3.386 -9.647 1.00 0.00 C ATOM 781 O PHE A 185 -11.848 3.208 -10.555 1.00 0.00 O ATOM 782 CB PHE A 185 -12.034 5.536 -8.851 1.00 0.00 C ATOM 783 CG PHE A 185 -11.851 6.767 -8.011 1.00 0.00 C ATOM 784 CD1 PHE A 185 -11.249 6.691 -6.766 1.00 0.00 C ATOM 785 CD2 PHE A 185 -12.280 8.004 -8.469 1.00 0.00 C ATOM 786 CE1 PHE A 185 -11.079 7.823 -5.992 1.00 0.00 C ATOM 787 CE2 PHE A 185 -12.113 9.140 -7.699 1.00 0.00 C ATOM 788 CZ PHE A 185 -11.511 9.049 -6.459 1.00 0.00 C ATOM 0 H PHE A 185 -10.462 6.063 -10.779 1.00 0.00 H new ATOM 0 HA PHE A 185 -10.161 4.702 -8.210 1.00 0.00 H new ATOM 0 HB2 PHE A 185 -12.495 5.817 -9.798 1.00 0.00 H new ATOM 0 HB3 PHE A 185 -12.726 4.862 -8.347 1.00 0.00 H new ATOM 0 HD1 PHE A 185 -10.908 5.735 -6.396 1.00 0.00 H new ATOM 0 HD2 PHE A 185 -12.750 8.081 -9.438 1.00 0.00 H new ATOM 0 HE1 PHE A 185 -10.609 7.749 -5.023 1.00 0.00 H new ATOM 0 HE2 PHE A 185 -12.453 10.097 -8.066 1.00 0.00 H new ATOM 0 HZ PHE A 185 -11.378 9.935 -5.856 1.00 0.00 H new ATOM 798 N HIS A 186 -10.381 2.390 -9.056 1.00 0.00 N ATOM 799 CA HIS A 186 -10.584 1.002 -9.450 1.00 0.00 C ATOM 800 C HIS A 186 -11.728 0.376 -8.658 1.00 0.00 C ATOM 801 O HIS A 186 -12.111 0.878 -7.600 1.00 0.00 O ATOM 802 CB HIS A 186 -9.302 0.196 -9.236 1.00 0.00 C ATOM 803 CG HIS A 186 -8.231 0.492 -10.238 1.00 0.00 C ATOM 804 ND1 HIS A 186 -8.497 0.947 -11.514 1.00 0.00 N ATOM 805 CD2 HIS A 186 -6.883 0.395 -10.149 1.00 0.00 C ATOM 806 CE1 HIS A 186 -7.359 1.115 -12.164 1.00 0.00 C ATOM 807 NE2 HIS A 186 -6.366 0.789 -11.359 1.00 0.00 N ATOM 0 H HIS A 186 -9.706 2.520 -8.303 1.00 0.00 H new ATOM 0 HA HIS A 186 -10.843 0.985 -10.509 1.00 0.00 H new ATOM 0 HB2 HIS A 186 -8.918 0.399 -8.236 1.00 0.00 H new ATOM 0 HB3 HIS A 186 -9.541 -0.867 -9.276 1.00 0.00 H new ATOM 0 HD2 HIS A 186 -6.320 0.069 -9.287 1.00 0.00 H new ATOM 0 HE1 HIS A 186 -7.259 1.461 -13.182 1.00 0.00 H new ATOM 0 HE2 HIS A 186 -5.375 0.824 -11.597 1.00 0.00 H new ATOM 815 N LEU A 187 -12.269 -0.722 -9.174 1.00 0.00 N ATOM 816 CA LEU A 187 -13.369 -1.414 -8.511 1.00 0.00 C ATOM 817 C LEU A 187 -12.867 -2.185 -7.292 1.00 0.00 C ATOM 818 O LEU A 187 -11.837 -2.855 -7.350 1.00 0.00 O ATOM 819 CB LEU A 187 -14.065 -2.366 -9.487 1.00 0.00 C ATOM 820 CG LEU A 187 -15.476 -1.944 -9.904 1.00 0.00 C ATOM 821 CD1 LEU A 187 -15.417 -0.805 -10.910 1.00 0.00 C ATOM 822 CD2 LEU A 187 -16.237 -3.128 -10.479 1.00 0.00 C ATOM 0 H LEU A 187 -11.965 -1.152 -10.048 1.00 0.00 H new ATOM 0 HA LEU A 187 -14.088 -0.667 -8.175 1.00 0.00 H new ATOM 0 HB2 LEU A 187 -13.450 -2.459 -10.382 1.00 0.00 H new ATOM 0 HB3 LEU A 187 -14.117 -3.355 -9.032 1.00 0.00 H new ATOM 0 HG LEU A 187 -16.006 -1.592 -9.019 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -16.429 -0.518 -11.195 1.00 0.00 H new ATOM 0 HD12 LEU A 187 -14.910 0.050 -10.462 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -14.869 -1.129 -11.795 1.00 0.00 H new ATOM 0 HD21 LEU A 187 -17.238 -2.810 -10.770 1.00 0.00 H new ATOM 0 HD22 LEU A 187 -15.709 -3.510 -11.353 1.00 0.00 H new ATOM 0 HD23 LEU A 187 -16.310 -3.913 -9.727 1.00 0.00 H new ATOM 834 N LEU A 188 -13.602 -2.082 -6.189 1.00 0.00 N ATOM 835 CA LEU A 188 -13.232 -2.765 -4.956 1.00 0.00 C ATOM 836 C LEU A 188 -13.281 -4.289 -5.105 1.00 0.00 C ATOM 837 O LEU A 188 -12.399 -4.985 -4.602 1.00 0.00 O ATOM 838 CB LEU A 188 -14.131 -2.314 -3.799 1.00 0.00 C ATOM 839 CG LEU A 188 -13.407 -1.585 -2.666 1.00 0.00 C ATOM 840 CD1 LEU A 188 -14.321 -0.552 -2.026 1.00 0.00 C ATOM 841 CD2 LEU A 188 -12.911 -2.578 -1.626 1.00 0.00 C ATOM 0 H LEU A 188 -14.458 -1.531 -6.125 1.00 0.00 H new ATOM 0 HA LEU A 188 -12.201 -2.491 -4.733 1.00 0.00 H new ATOM 0 HB2 LEU A 188 -14.907 -1.659 -4.195 1.00 0.00 H new ATOM 0 HB3 LEU A 188 -14.633 -3.189 -3.386 1.00 0.00 H new ATOM 0 HG LEU A 188 -12.545 -1.066 -3.085 1.00 0.00 H new ATOM 0 HD11 LEU A 188 -13.789 -0.044 -1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 188 -14.628 0.177 -2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 188 -15.203 -1.048 -1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 188 -12.398 -2.042 -0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 188 -13.758 -3.124 -1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 188 -12.221 -3.280 -2.093 1.00 0.00 H new ATOM 853 N PRO A 189 -14.303 -4.848 -5.793 1.00 0.00 N ATOM 854 CA PRO A 189 -14.411 -6.302 -5.970 1.00 0.00 C ATOM 855 C PRO A 189 -13.306 -6.865 -6.860 1.00 0.00 C ATOM 856 O PRO A 189 -13.102 -8.077 -6.918 1.00 0.00 O ATOM 857 CB PRO A 189 -15.778 -6.487 -6.632 1.00 0.00 C ATOM 858 CG PRO A 189 -16.056 -5.189 -7.303 1.00 0.00 C ATOM 859 CD PRO A 189 -15.422 -4.133 -6.443 1.00 0.00 C ATOM 0 HA PRO A 189 -14.309 -6.831 -5.023 1.00 0.00 H new ATOM 0 HB2 PRO A 189 -15.762 -7.307 -7.350 1.00 0.00 H new ATOM 0 HB3 PRO A 189 -16.545 -6.723 -5.895 1.00 0.00 H new ATOM 0 HG2 PRO A 189 -15.640 -5.174 -8.310 1.00 0.00 H new ATOM 0 HG3 PRO A 189 -17.129 -5.022 -7.399 1.00 0.00 H new ATOM 0 HD2 PRO A 189 -15.069 -3.290 -7.037 1.00 0.00 H new ATOM 0 HD3 PRO A 189 -16.125 -3.736 -5.711 1.00 0.00 H new ATOM 867 N ASP A 190 -12.594 -5.979 -7.552 1.00 0.00 N ATOM 868 CA ASP A 190 -11.511 -6.395 -8.436 1.00 0.00 C ATOM 869 C ASP A 190 -10.153 -6.156 -7.779 1.00 0.00 C ATOM 870 O ASP A 190 -9.331 -5.392 -8.286 1.00 0.00 O ATOM 871 CB ASP A 190 -11.591 -5.642 -9.764 1.00 0.00 C ATOM 872 CG ASP A 190 -11.002 -6.434 -10.915 1.00 0.00 C ATOM 873 OD1 ASP A 190 -9.761 -6.548 -10.984 1.00 0.00 O ATOM 874 OD2 ASP A 190 -11.785 -6.942 -11.747 1.00 0.00 O ATOM 0 H ASP A 190 -12.748 -4.971 -7.517 1.00 0.00 H new ATOM 0 HA ASP A 190 -11.619 -7.463 -8.627 1.00 0.00 H new ATOM 0 HB2 ASP A 190 -12.633 -5.408 -9.983 1.00 0.00 H new ATOM 0 HB3 ASP A 190 -11.063 -4.693 -9.672 1.00 0.00 H new