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 -160:sc= -0.704 USER MOD Set 1.2: A 181 GLN : amide:sc= 0 K(o=-4.8,f=-3.9) USER MOD Set 1.3: A 182 CYS SG : rot 180:sc= 0 USER MOD Set 1.4: A 184 LYS NZ :NH3+ -155:sc= -0.413 (180deg=-0.813) USER MOD Set 1.5: A 186 HIS : no HE2:sc= -3.69 K(o=-4.8,f=-3.9!) USER MOD Set 2.1: A 157 HIS : no HD1:sc= -2.96 X(o=-2.6,f=-2.2!) USER MOD Set 2.2: A 178 TYR OH : rot 72:sc= 0.36 USER MOD Set 3.1: A 138 CYS SG : rot -94:sc= -3.55! USER MOD Set 3.2: A 143 CYS SG : rot 180:sc= 0 USER MOD Set 3.3: A 160 CYS SG : rot 180:sc= 0.0912 USER MOD Set 3.4: A 163 CYS SG : rot 147:sc= -2.88! USER MOD Single : A 139 GLN : amide:sc= -2.87 K(o=-2.9,f=-12!) USER MOD Single : A 148 SER OG : rot -108:sc= 0.233 USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 TYR OH : rot 180:sc= 0 USER MOD Single : A 154 HIS : no HD1:sc= -2.68 K(o=-2.7,f=-0.28) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0.153 (180deg=0.153) USER MOD Single : A 165 THR OG1 : rot 76:sc= 0.104 USER MOD Single : A 167 SER OG : rot 180:sc= -0.186 USER MOD Single : A 175 ASN : amide:sc= -0.0184 K(o=-0.018,f=-1.6) USER MOD Single : A 176 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000445) USER MOD Single : A 180 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 17 N ALA A 136 -8.388 20.054 -12.369 1.00 0.00 N ATOM 18 CA ALA A 136 -8.407 19.920 -10.917 1.00 0.00 C ATOM 19 C ALA A 136 -9.831 20.012 -10.377 1.00 0.00 C ATOM 20 O ALA A 136 -10.261 21.066 -9.910 1.00 0.00 O ATOM 21 CB ALA A 136 -7.527 20.983 -10.278 1.00 0.00 C ATOM 0 HA ALA A 136 -8.012 18.937 -10.661 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -7.550 20.871 -9.194 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -6.503 20.869 -10.633 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -7.896 21.972 -10.549 1.00 0.00 H new ATOM 27 N ARG A 137 -10.558 18.902 -10.449 1.00 0.00 N ATOM 28 CA ARG A 137 -11.936 18.860 -9.970 1.00 0.00 C ATOM 29 C ARG A 137 -12.378 17.423 -9.705 1.00 0.00 C ATOM 30 O ARG A 137 -12.435 16.604 -10.623 1.00 0.00 O ATOM 31 CB ARG A 137 -12.868 19.518 -10.992 1.00 0.00 C ATOM 32 CG ARG A 137 -14.341 19.431 -10.623 1.00 0.00 C ATOM 33 CD ARG A 137 -15.133 18.653 -11.662 1.00 0.00 C ATOM 34 NE ARG A 137 -15.321 19.416 -12.893 1.00 0.00 N ATOM 35 CZ ARG A 137 -16.222 20.386 -13.034 1.00 0.00 C ATOM 36 NH1 ARG A 137 -17.017 20.715 -12.025 1.00 0.00 N ATOM 37 NH2 ARG A 137 -16.327 21.028 -14.190 1.00 0.00 N ATOM 0 H ARG A 137 -10.217 18.021 -10.834 1.00 0.00 H new ATOM 0 HA ARG A 137 -11.989 19.412 -9.031 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -12.591 20.567 -11.100 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -12.718 19.047 -11.963 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -14.445 18.950 -9.650 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -14.753 20.436 -10.528 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -14.615 17.721 -11.889 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -16.106 18.385 -11.250 1.00 0.00 H new ATOM 0 HE ARG A 137 -14.727 19.193 -13.692 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -16.940 20.224 -11.134 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -17.705 21.459 -12.140 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -15.718 20.778 -14.969 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -17.017 21.771 -14.300 1.00 0.00 H new ATOM 51 N CYS A 138 -12.697 17.125 -8.450 1.00 0.00 N ATOM 52 CA CYS A 138 -13.140 15.790 -8.074 1.00 0.00 C ATOM 53 C CYS A 138 -14.434 15.437 -8.799 1.00 0.00 C ATOM 54 O CYS A 138 -15.515 15.893 -8.420 1.00 0.00 O ATOM 55 CB CYS A 138 -13.340 15.697 -6.560 1.00 0.00 C ATOM 56 SG CYS A 138 -13.586 14.012 -5.957 1.00 0.00 S ATOM 0 H CYS A 138 -12.657 17.790 -7.678 1.00 0.00 H new ATOM 0 HA CYS A 138 -12.369 15.077 -8.366 1.00 0.00 H new ATOM 0 HB2 CYS A 138 -12.472 16.128 -6.061 1.00 0.00 H new ATOM 0 HB3 CYS A 138 -14.202 16.302 -6.279 1.00 0.00 H new ATOM 0 HG CYS A 138 -14.859 13.763 -5.873 1.00 0.00 H new ATOM 61 N GLN A 139 -14.312 14.635 -9.853 1.00 0.00 N ATOM 62 CA GLN A 139 -15.467 14.229 -10.652 1.00 0.00 C ATOM 63 C GLN A 139 -16.105 12.943 -10.131 1.00 0.00 C ATOM 64 O GLN A 139 -16.478 12.067 -10.913 1.00 0.00 O ATOM 65 CB GLN A 139 -15.066 14.048 -12.121 1.00 0.00 C ATOM 66 CG GLN A 139 -13.691 13.427 -12.320 1.00 0.00 C ATOM 67 CD GLN A 139 -13.476 12.182 -11.480 1.00 0.00 C ATOM 68 OE1 GLN A 139 -13.470 12.240 -10.251 1.00 0.00 O ATOM 69 NE2 GLN A 139 -13.293 11.046 -12.143 1.00 0.00 N ATOM 0 H GLN A 139 -13.423 14.252 -10.175 1.00 0.00 H new ATOM 0 HA GLN A 139 -16.207 15.025 -10.570 1.00 0.00 H new ATOM 0 HB2 GLN A 139 -15.810 13.422 -12.615 1.00 0.00 H new ATOM 0 HB3 GLN A 139 -15.088 15.020 -12.615 1.00 0.00 H new ATOM 0 HG2 GLN A 139 -13.561 13.175 -13.373 1.00 0.00 H new ATOM 0 HG3 GLN A 139 -12.926 14.163 -12.071 1.00 0.00 H new ATOM 0 HE21 GLN A 139 -13.306 11.043 -13.163 1.00 0.00 H new ATOM 0 HE22 GLN A 139 -13.140 10.176 -11.632 1.00 0.00 H new ATOM 78 N VAL A 140 -16.243 12.833 -8.814 1.00 0.00 N ATOM 79 CA VAL A 140 -16.855 11.655 -8.215 1.00 0.00 C ATOM 80 C VAL A 140 -18.366 11.850 -8.076 1.00 0.00 C ATOM 81 O VAL A 140 -18.816 12.767 -7.394 1.00 0.00 O ATOM 82 CB VAL A 140 -16.250 11.339 -6.834 1.00 0.00 C ATOM 83 CG1 VAL A 140 -16.843 10.059 -6.261 1.00 0.00 C ATOM 84 CG2 VAL A 140 -14.734 11.235 -6.930 1.00 0.00 C ATOM 0 H VAL A 140 -15.941 13.541 -8.145 1.00 0.00 H new ATOM 0 HA VAL A 140 -16.654 10.813 -8.878 1.00 0.00 H new ATOM 0 HB VAL A 140 -16.498 12.156 -6.157 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -16.400 9.857 -5.286 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -17.921 10.174 -6.153 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -16.633 9.228 -6.934 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -14.322 11.011 -5.946 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -14.467 10.439 -7.625 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -14.326 12.180 -7.288 1.00 0.00 H new ATOM 94 N PRO A 141 -19.173 10.994 -8.733 1.00 0.00 N ATOM 95 CA PRO A 141 -20.635 11.083 -8.686 1.00 0.00 C ATOM 96 C PRO A 141 -21.170 11.431 -7.297 1.00 0.00 C ATOM 97 O PRO A 141 -21.954 12.366 -7.142 1.00 0.00 O ATOM 98 CB PRO A 141 -21.069 9.677 -9.089 1.00 0.00 C ATOM 99 CG PRO A 141 -20.005 9.211 -10.024 1.00 0.00 C ATOM 100 CD PRO A 141 -18.724 9.872 -9.582 1.00 0.00 C ATOM 0 HA PRO A 141 -21.017 11.876 -9.329 1.00 0.00 H new ATOM 0 HB2 PRO A 141 -21.149 9.022 -8.221 1.00 0.00 H new ATOM 0 HB3 PRO A 141 -22.046 9.686 -9.572 1.00 0.00 H new ATOM 0 HG2 PRO A 141 -19.911 8.125 -9.994 1.00 0.00 H new ATOM 0 HG3 PRO A 141 -20.246 9.482 -11.052 1.00 0.00 H new ATOM 0 HD2 PRO A 141 -18.090 9.181 -9.027 1.00 0.00 H new ATOM 0 HD3 PRO A 141 -18.142 10.224 -10.434 1.00 0.00 H new ATOM 108 N ASP A 142 -20.745 10.669 -6.295 1.00 0.00 N ATOM 109 CA ASP A 142 -21.188 10.896 -4.923 1.00 0.00 C ATOM 110 C ASP A 142 -20.465 12.085 -4.290 1.00 0.00 C ATOM 111 O ASP A 142 -20.919 12.630 -3.285 1.00 0.00 O ATOM 112 CB ASP A 142 -20.959 9.641 -4.078 1.00 0.00 C ATOM 113 CG ASP A 142 -19.548 9.102 -4.209 1.00 0.00 C ATOM 114 OD1 ASP A 142 -19.136 8.788 -5.345 1.00 0.00 O ATOM 115 OD2 ASP A 142 -18.855 8.995 -3.175 1.00 0.00 O ATOM 0 H ASP A 142 -20.096 9.890 -6.406 1.00 0.00 H new ATOM 0 HA ASP A 142 -22.254 11.124 -4.953 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -21.161 9.870 -3.032 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -21.668 8.870 -4.379 1.00 0.00 H new ATOM 120 N CYS A 143 -19.338 12.482 -4.878 1.00 0.00 N ATOM 121 CA CYS A 143 -18.565 13.603 -4.354 1.00 0.00 C ATOM 122 C CYS A 143 -18.116 14.539 -5.475 1.00 0.00 C ATOM 123 O CYS A 143 -17.110 14.290 -6.143 1.00 0.00 O ATOM 124 CB CYS A 143 -17.346 13.088 -3.584 1.00 0.00 C ATOM 125 SG CYS A 143 -16.263 14.388 -2.947 1.00 0.00 S ATOM 0 H CYS A 143 -18.943 12.047 -5.712 1.00 0.00 H new ATOM 0 HA CYS A 143 -19.207 14.167 -3.678 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -17.690 12.477 -2.750 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -16.766 12.437 -4.238 1.00 0.00 H new ATOM 0 HG CYS A 143 -15.265 13.849 -2.311 1.00 0.00 H new ATOM 130 N GLU A 144 -18.863 15.621 -5.670 1.00 0.00 N ATOM 131 CA GLU A 144 -18.537 16.601 -6.701 1.00 0.00 C ATOM 132 C GLU A 144 -17.762 17.767 -6.097 1.00 0.00 C ATOM 133 O GLU A 144 -18.322 18.833 -5.841 1.00 0.00 O ATOM 134 CB GLU A 144 -19.813 17.109 -7.377 1.00 0.00 C ATOM 135 CG GLU A 144 -20.074 16.479 -8.736 1.00 0.00 C ATOM 136 CD GLU A 144 -21.534 16.134 -8.947 1.00 0.00 C ATOM 137 OE1 GLU A 144 -22.400 16.927 -8.523 1.00 0.00 O ATOM 138 OE2 GLU A 144 -21.813 15.070 -9.540 1.00 0.00 O ATOM 0 H GLU A 144 -19.698 15.842 -5.128 1.00 0.00 H new ATOM 0 HA GLU A 144 -17.913 16.118 -7.453 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -20.663 16.911 -6.725 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -19.746 18.191 -7.494 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -19.750 17.165 -9.519 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -19.473 15.575 -8.835 1.00 0.00 H new ATOM 145 N ALA A 145 -16.472 17.551 -5.863 1.00 0.00 N ATOM 146 CA ALA A 145 -15.617 18.576 -5.276 1.00 0.00 C ATOM 147 C ALA A 145 -14.968 19.446 -6.347 1.00 0.00 C ATOM 148 O ALA A 145 -14.816 19.027 -7.493 1.00 0.00 O ATOM 149 CB ALA A 145 -14.552 17.935 -4.402 1.00 0.00 C ATOM 0 H ALA A 145 -15.995 16.674 -6.071 1.00 0.00 H new ATOM 0 HA ALA A 145 -16.245 19.220 -4.660 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -13.920 18.711 -3.970 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -15.030 17.369 -3.602 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -13.941 17.264 -5.006 1.00 0.00 H new ATOM 155 N ASP A 146 -14.584 20.659 -5.958 1.00 0.00 N ATOM 156 CA ASP A 146 -13.944 21.593 -6.878 1.00 0.00 C ATOM 157 C ASP A 146 -12.514 21.891 -6.435 1.00 0.00 C ATOM 158 O ASP A 146 -12.175 23.031 -6.112 1.00 0.00 O ATOM 159 CB ASP A 146 -14.749 22.891 -6.961 1.00 0.00 C ATOM 160 CG ASP A 146 -14.204 23.845 -8.006 1.00 0.00 C ATOM 161 OD1 ASP A 146 -14.407 23.585 -9.210 1.00 0.00 O ATOM 162 OD2 ASP A 146 -13.576 24.853 -7.619 1.00 0.00 O ATOM 0 H ASP A 146 -14.705 21.018 -5.011 1.00 0.00 H new ATOM 0 HA ASP A 146 -13.912 21.133 -7.866 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -15.788 22.657 -7.194 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -14.743 23.381 -5.988 1.00 0.00 H new ATOM 167 N ILE A 147 -11.681 20.856 -6.417 1.00 0.00 N ATOM 168 CA ILE A 147 -10.288 20.994 -6.012 1.00 0.00 C ATOM 169 C ILE A 147 -9.494 21.821 -7.023 1.00 0.00 C ATOM 170 O ILE A 147 -8.635 21.294 -7.731 1.00 0.00 O ATOM 171 CB ILE A 147 -9.617 19.617 -5.854 1.00 0.00 C ATOM 172 CG1 ILE A 147 -9.771 18.797 -7.138 1.00 0.00 C ATOM 173 CG2 ILE A 147 -10.210 18.872 -4.667 1.00 0.00 C ATOM 174 CD1 ILE A 147 -8.526 18.027 -7.517 1.00 0.00 C ATOM 0 H ILE A 147 -11.949 19.908 -6.680 1.00 0.00 H new ATOM 0 HA ILE A 147 -10.287 21.508 -5.051 1.00 0.00 H new ATOM 0 HB ILE A 147 -8.553 19.767 -5.669 1.00 0.00 H new ATOM 0 HG12 ILE A 147 -10.598 18.097 -7.015 1.00 0.00 H new ATOM 0 HG13 ILE A 147 -10.038 19.466 -7.956 1.00 0.00 H new ATOM 0 HG21 ILE A 147 -9.726 17.901 -4.568 1.00 0.00 H new ATOM 0 HG22 ILE A 147 -10.051 19.451 -3.757 1.00 0.00 H new ATOM 0 HG23 ILE A 147 -11.279 18.730 -4.824 1.00 0.00 H new ATOM 0 HD11 ILE A 147 -8.708 17.470 -8.436 1.00 0.00 H new ATOM 0 HD12 ILE A 147 -7.701 18.722 -7.672 1.00 0.00 H new ATOM 0 HD13 ILE A 147 -8.270 17.333 -6.717 1.00 0.00 H new ATOM 186 N SER A 148 -9.787 23.117 -7.087 1.00 0.00 N ATOM 187 CA SER A 148 -9.098 24.009 -8.013 1.00 0.00 C ATOM 188 C SER A 148 -7.744 24.448 -7.459 1.00 0.00 C ATOM 189 O SER A 148 -6.880 24.907 -8.206 1.00 0.00 O ATOM 190 CB SER A 148 -9.962 25.235 -8.306 1.00 0.00 C ATOM 191 OG SER A 148 -10.600 25.703 -7.130 1.00 0.00 O ATOM 0 H SER A 148 -10.495 23.571 -6.510 1.00 0.00 H new ATOM 0 HA SER A 148 -8.924 23.460 -8.938 1.00 0.00 H new ATOM 0 HB2 SER A 148 -9.343 26.027 -8.728 1.00 0.00 H new ATOM 0 HB3 SER A 148 -10.713 24.984 -9.055 1.00 0.00 H new ATOM 0 HG SER A 148 -11.559 25.505 -7.177 1.00 0.00 H new ATOM 197 N GLU A 149 -7.562 24.310 -6.147 1.00 0.00 N ATOM 198 CA GLU A 149 -6.312 24.701 -5.508 1.00 0.00 C ATOM 199 C GLU A 149 -5.823 23.623 -4.544 1.00 0.00 C ATOM 200 O GLU A 149 -5.992 23.739 -3.331 1.00 0.00 O ATOM 201 CB GLU A 149 -6.488 26.025 -4.762 1.00 0.00 C ATOM 202 CG GLU A 149 -7.706 26.052 -3.853 1.00 0.00 C ATOM 203 CD GLU A 149 -7.901 27.397 -3.180 1.00 0.00 C ATOM 204 OE1 GLU A 149 -8.103 28.397 -3.899 1.00 0.00 O ATOM 205 OE2 GLU A 149 -7.852 27.448 -1.933 1.00 0.00 O ATOM 0 H GLU A 149 -8.263 23.932 -5.510 1.00 0.00 H new ATOM 0 HA GLU A 149 -5.563 24.826 -6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -5.596 26.219 -4.166 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -6.568 26.834 -5.488 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -8.595 25.809 -4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -7.603 25.280 -3.091 1.00 0.00 H new ATOM 212 N LEU A 150 -5.211 22.577 -5.092 1.00 0.00 N ATOM 213 CA LEU A 150 -4.694 21.482 -4.282 1.00 0.00 C ATOM 214 C LEU A 150 -3.218 21.233 -4.584 1.00 0.00 C ATOM 215 O LEU A 150 -2.731 21.572 -5.663 1.00 0.00 O ATOM 216 CB LEU A 150 -5.503 20.208 -4.533 1.00 0.00 C ATOM 217 CG LEU A 150 -6.437 19.802 -3.393 1.00 0.00 C ATOM 218 CD1 LEU A 150 -7.546 20.828 -3.221 1.00 0.00 C ATOM 219 CD2 LEU A 150 -7.020 18.422 -3.652 1.00 0.00 C ATOM 0 H LEU A 150 -5.062 22.466 -6.095 1.00 0.00 H new ATOM 0 HA LEU A 150 -4.789 21.761 -3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -6.096 20.344 -5.438 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -4.811 19.388 -4.726 1.00 0.00 H new ATOM 0 HG LEU A 150 -5.860 19.764 -2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -8.201 20.522 -2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -7.110 21.800 -2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -8.123 20.898 -4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -7.683 18.147 -2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -7.583 18.434 -4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -6.212 17.694 -3.725 1.00 0.00 H new ATOM 231 N LYS A 151 -2.513 20.639 -3.627 1.00 0.00 N ATOM 232 CA LYS A 151 -1.093 20.346 -3.795 1.00 0.00 C ATOM 233 C LYS A 151 -0.767 18.942 -3.303 1.00 0.00 C ATOM 234 O LYS A 151 -0.258 18.760 -2.195 1.00 0.00 O ATOM 235 CB LYS A 151 -0.247 21.369 -3.039 1.00 0.00 C ATOM 236 CG LYS A 151 -0.102 22.697 -3.764 1.00 0.00 C ATOM 237 CD LYS A 151 1.258 22.821 -4.433 1.00 0.00 C ATOM 238 CE LYS A 151 1.265 23.922 -5.481 1.00 0.00 C ATOM 239 NZ LYS A 151 2.633 24.170 -6.016 1.00 0.00 N ATOM 0 H LYS A 151 -2.900 20.351 -2.728 1.00 0.00 H new ATOM 0 HA LYS A 151 -0.859 20.405 -4.858 1.00 0.00 H new ATOM 0 HB2 LYS A 151 -0.695 21.546 -2.061 1.00 0.00 H new ATOM 0 HB3 LYS A 151 0.744 20.950 -2.865 1.00 0.00 H new ATOM 0 HG2 LYS A 151 -0.887 22.791 -4.514 1.00 0.00 H new ATOM 0 HG3 LYS A 151 -0.237 23.515 -3.057 1.00 0.00 H new ATOM 0 HD2 LYS A 151 2.018 23.030 -3.680 1.00 0.00 H new ATOM 0 HD3 LYS A 151 1.523 21.872 -4.899 1.00 0.00 H new ATOM 0 HE2 LYS A 151 0.599 23.649 -6.299 1.00 0.00 H new ATOM 0 HE3 LYS A 151 0.873 24.841 -5.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 151 2.595 24.927 -6.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 151 3.263 24.456 -5.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 151 2.997 23.300 -6.455 1.00 0.00 H new ATOM 253 N GLY A 152 -1.060 17.950 -4.133 1.00 0.00 N ATOM 254 CA GLY A 152 -0.792 16.571 -3.774 1.00 0.00 C ATOM 255 C GLY A 152 -0.975 15.623 -4.942 1.00 0.00 C ATOM 256 O GLY A 152 -1.012 16.049 -6.097 1.00 0.00 O ATOM 0 H GLY A 152 -1.481 18.077 -5.053 1.00 0.00 H new ATOM 0 HA2 GLY A 152 0.228 16.488 -3.399 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -1.456 16.274 -2.962 1.00 0.00 H new ATOM 260 N TYR A 153 -1.092 14.333 -4.643 1.00 0.00 N ATOM 261 CA TYR A 153 -1.275 13.324 -5.680 1.00 0.00 C ATOM 262 C TYR A 153 -2.759 13.093 -5.976 1.00 0.00 C ATOM 263 O TYR A 153 -3.119 12.151 -6.681 1.00 0.00 O ATOM 264 CB TYR A 153 -0.613 12.007 -5.262 1.00 0.00 C ATOM 265 CG TYR A 153 -1.320 11.304 -4.125 1.00 0.00 C ATOM 266 CD1 TYR A 153 -2.421 10.490 -4.363 1.00 0.00 C ATOM 267 CD2 TYR A 153 -0.885 11.454 -2.814 1.00 0.00 C ATOM 268 CE1 TYR A 153 -3.070 9.847 -3.327 1.00 0.00 C ATOM 269 CE2 TYR A 153 -1.529 10.811 -1.772 1.00 0.00 C ATOM 270 CZ TYR A 153 -2.620 10.010 -2.034 1.00 0.00 C ATOM 271 OH TYR A 153 -3.263 9.370 -1.000 1.00 0.00 O ATOM 0 H TYR A 153 -1.063 13.962 -3.693 1.00 0.00 H new ATOM 0 HA TYR A 153 -0.801 13.691 -6.590 1.00 0.00 H new ATOM 0 HB2 TYR A 153 -0.577 11.340 -6.123 1.00 0.00 H new ATOM 0 HB3 TYR A 153 0.418 12.206 -4.969 1.00 0.00 H new ATOM 0 HD1 TYR A 153 -2.775 10.358 -5.375 1.00 0.00 H new ATOM 0 HD2 TYR A 153 -0.031 12.082 -2.605 1.00 0.00 H new ATOM 0 HE1 TYR A 153 -3.926 9.220 -3.529 1.00 0.00 H new ATOM 0 HE2 TYR A 153 -1.179 10.936 -0.758 1.00 0.00 H new ATOM 0 HH TYR A 153 -2.820 9.589 -0.154 1.00 0.00 H new ATOM 281 N HIS A 154 -3.614 13.959 -5.435 1.00 0.00 N ATOM 282 CA HIS A 154 -5.054 13.843 -5.645 1.00 0.00 C ATOM 283 C HIS A 154 -5.521 14.825 -6.717 1.00 0.00 C ATOM 284 O HIS A 154 -6.507 14.580 -7.411 1.00 0.00 O ATOM 285 CB HIS A 154 -5.818 14.095 -4.337 1.00 0.00 C ATOM 286 CG HIS A 154 -4.961 14.049 -3.107 1.00 0.00 C ATOM 287 ND1 HIS A 154 -4.982 15.032 -2.137 1.00 0.00 N ATOM 288 CD2 HIS A 154 -4.056 13.134 -2.692 1.00 0.00 C ATOM 289 CE1 HIS A 154 -4.126 14.721 -1.180 1.00 0.00 C ATOM 290 NE2 HIS A 154 -3.552 13.573 -1.491 1.00 0.00 N ATOM 0 H HIS A 154 -3.335 14.746 -4.850 1.00 0.00 H new ATOM 0 HA HIS A 154 -5.264 12.828 -5.981 1.00 0.00 H new ATOM 0 HB2 HIS A 154 -6.301 15.070 -4.393 1.00 0.00 H new ATOM 0 HB3 HIS A 154 -6.610 13.352 -4.243 1.00 0.00 H new ATOM 0 HD2 HIS A 154 -3.780 12.226 -3.209 1.00 0.00 H new ATOM 0 HE1 HIS A 154 -3.929 15.306 -0.294 1.00 0.00 H new ATOM 0 HE2 HIS A 154 -2.849 13.091 -0.931 1.00 0.00 H new ATOM 298 N LYS A 155 -4.803 15.937 -6.847 1.00 0.00 N ATOM 299 CA LYS A 155 -5.141 16.956 -7.833 1.00 0.00 C ATOM 300 C LYS A 155 -4.779 16.497 -9.243 1.00 0.00 C ATOM 301 O LYS A 155 -5.348 16.970 -10.226 1.00 0.00 O ATOM 302 CB LYS A 155 -4.417 18.265 -7.512 1.00 0.00 C ATOM 303 CG LYS A 155 -4.839 19.427 -8.400 1.00 0.00 C ATOM 304 CD LYS A 155 -3.657 20.015 -9.155 1.00 0.00 C ATOM 305 CE LYS A 155 -4.028 20.361 -10.587 1.00 0.00 C ATOM 306 NZ LYS A 155 -3.616 19.295 -11.542 1.00 0.00 N ATOM 0 H LYS A 155 -3.983 16.154 -6.281 1.00 0.00 H new ATOM 0 HA LYS A 155 -6.218 17.121 -7.790 1.00 0.00 H new ATOM 0 HB2 LYS A 155 -4.603 18.528 -6.471 1.00 0.00 H new ATOM 0 HB3 LYS A 155 -3.343 18.111 -7.615 1.00 0.00 H new ATOM 0 HG2 LYS A 155 -5.592 19.087 -9.111 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -5.303 20.202 -7.790 1.00 0.00 H new ATOM 0 HD2 LYS A 155 -3.306 20.911 -8.643 1.00 0.00 H new ATOM 0 HD3 LYS A 155 -2.832 19.303 -9.154 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -5.105 20.513 -10.656 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -3.554 21.302 -10.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -3.887 19.570 -12.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -2.585 19.167 -11.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -4.088 18.403 -11.291 1.00 0.00 H new ATOM 320 N ARG A 156 -3.825 15.572 -9.337 1.00 0.00 N ATOM 321 CA ARG A 156 -3.386 15.053 -10.627 1.00 0.00 C ATOM 322 C ARG A 156 -4.198 13.827 -11.042 1.00 0.00 C ATOM 323 O ARG A 156 -3.742 13.021 -11.854 1.00 0.00 O ATOM 324 CB ARG A 156 -1.899 14.697 -10.574 1.00 0.00 C ATOM 325 CG ARG A 156 -1.184 14.868 -11.905 1.00 0.00 C ATOM 326 CD ARG A 156 -0.151 15.982 -11.847 1.00 0.00 C ATOM 327 NE ARG A 156 0.512 16.182 -13.134 1.00 0.00 N ATOM 328 CZ ARG A 156 1.449 15.370 -13.620 1.00 0.00 C ATOM 329 NH1 ARG A 156 1.837 14.306 -12.928 1.00 0.00 N ATOM 330 NH2 ARG A 156 2.000 15.626 -14.799 1.00 0.00 N ATOM 0 H ARG A 156 -3.343 15.168 -8.534 1.00 0.00 H new ATOM 0 HA ARG A 156 -3.546 15.833 -11.371 1.00 0.00 H new ATOM 0 HB2 ARG A 156 -1.411 15.322 -9.826 1.00 0.00 H new ATOM 0 HB3 ARG A 156 -1.793 13.663 -10.244 1.00 0.00 H new ATOM 0 HG2 ARG A 156 -0.696 13.933 -12.179 1.00 0.00 H new ATOM 0 HG3 ARG A 156 -1.913 15.088 -12.685 1.00 0.00 H new ATOM 0 HD2 ARG A 156 -0.635 16.909 -11.541 1.00 0.00 H new ATOM 0 HD3 ARG A 156 0.595 15.746 -11.088 1.00 0.00 H new ATOM 0 HE ARG A 156 0.241 16.991 -13.693 1.00 0.00 H new ATOM 0 HH11 ARG A 156 1.417 14.107 -12.020 1.00 0.00 H new ATOM 0 HH12 ARG A 156 2.555 13.687 -13.304 1.00 0.00 H new ATOM 0 HH21 ARG A 156 1.706 16.444 -15.332 1.00 0.00 H new ATOM 0 HH22 ARG A 156 2.718 15.005 -15.172 1.00 0.00 H new ATOM 344 N HIS A 157 -5.398 13.687 -10.486 1.00 0.00 N ATOM 345 CA HIS A 157 -6.259 12.554 -10.809 1.00 0.00 C ATOM 346 C HIS A 157 -7.733 12.911 -10.627 1.00 0.00 C ATOM 347 O HIS A 157 -8.573 12.033 -10.426 1.00 0.00 O ATOM 348 CB HIS A 157 -5.902 11.351 -9.935 1.00 0.00 C ATOM 349 CG HIS A 157 -4.648 10.653 -10.365 1.00 0.00 C ATOM 350 ND1 HIS A 157 -4.557 9.922 -11.530 1.00 0.00 N ATOM 351 CD2 HIS A 157 -3.429 10.582 -9.780 1.00 0.00 C ATOM 352 CE1 HIS A 157 -3.335 9.429 -11.642 1.00 0.00 C ATOM 353 NE2 HIS A 157 -2.632 9.817 -10.595 1.00 0.00 N ATOM 0 H HIS A 157 -5.795 14.342 -9.812 1.00 0.00 H new ATOM 0 HA HIS A 157 -6.097 12.297 -11.856 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -5.789 11.682 -8.903 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -6.729 10.641 -9.953 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -3.138 11.041 -8.847 1.00 0.00 H new ATOM 0 HE1 HIS A 157 -2.974 8.813 -12.453 1.00 0.00 H new ATOM 0 HE2 HIS A 157 -1.654 9.586 -10.419 1.00 0.00 H new ATOM 361 N ARG A 158 -8.042 14.204 -10.701 1.00 0.00 N ATOM 362 CA ARG A 158 -9.416 14.676 -10.548 1.00 0.00 C ATOM 363 C ARG A 158 -10.064 14.091 -9.294 1.00 0.00 C ATOM 364 O ARG A 158 -11.159 13.528 -9.352 1.00 0.00 O ATOM 365 CB ARG A 158 -10.241 14.314 -11.784 1.00 0.00 C ATOM 366 CG ARG A 158 -9.520 14.579 -13.095 1.00 0.00 C ATOM 367 CD ARG A 158 -10.420 14.315 -14.291 1.00 0.00 C ATOM 368 NE ARG A 158 -9.665 14.245 -15.541 1.00 0.00 N ATOM 369 CZ ARG A 158 -10.219 14.034 -16.732 1.00 0.00 C ATOM 370 NH1 ARG A 158 -11.533 13.872 -16.841 1.00 0.00 N ATOM 371 NH2 ARG A 158 -9.459 13.987 -17.818 1.00 0.00 N ATOM 0 H ARG A 158 -7.359 14.943 -10.866 1.00 0.00 H new ATOM 0 HA ARG A 158 -9.390 15.761 -10.442 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -10.511 13.259 -11.734 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -11.171 14.882 -11.769 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -9.176 15.613 -13.119 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -8.635 13.947 -13.158 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -10.958 13.379 -14.140 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -11.168 15.105 -14.363 1.00 0.00 H new ATOM 0 HE ARG A 158 -8.653 14.365 -15.497 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -12.122 13.909 -16.009 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -11.953 13.711 -17.757 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -8.450 14.113 -17.740 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -9.884 13.825 -18.731 1.00 0.00 H new ATOM 385 N VAL A 159 -9.381 14.231 -8.163 1.00 0.00 N ATOM 386 CA VAL A 159 -9.884 13.723 -6.892 1.00 0.00 C ATOM 387 C VAL A 159 -9.436 14.614 -5.736 1.00 0.00 C ATOM 388 O VAL A 159 -8.313 15.118 -5.729 1.00 0.00 O ATOM 389 CB VAL A 159 -9.412 12.278 -6.637 1.00 0.00 C ATOM 390 CG1 VAL A 159 -7.893 12.203 -6.613 1.00 0.00 C ATOM 391 CG2 VAL A 159 -10.001 11.739 -5.341 1.00 0.00 C ATOM 0 H VAL A 159 -8.474 14.694 -8.101 1.00 0.00 H new ATOM 0 HA VAL A 159 -10.972 13.729 -6.951 1.00 0.00 H new ATOM 0 HB VAL A 159 -9.769 11.654 -7.457 1.00 0.00 H new ATOM 0 HG11 VAL A 159 -7.582 11.174 -6.432 1.00 0.00 H new ATOM 0 HG12 VAL A 159 -7.497 12.538 -7.572 1.00 0.00 H new ATOM 0 HG13 VAL A 159 -7.510 12.843 -5.818 1.00 0.00 H new ATOM 0 HG21 VAL A 159 -9.655 10.718 -5.181 1.00 0.00 H new ATOM 0 HG22 VAL A 159 -9.682 12.365 -4.508 1.00 0.00 H new ATOM 0 HG23 VAL A 159 -11.089 11.747 -5.405 1.00 0.00 H new ATOM 401 N CYS A 160 -10.323 14.809 -4.765 1.00 0.00 N ATOM 402 CA CYS A 160 -10.017 15.646 -3.611 1.00 0.00 C ATOM 403 C CYS A 160 -9.299 14.845 -2.526 1.00 0.00 C ATOM 404 O CYS A 160 -9.246 13.617 -2.578 1.00 0.00 O ATOM 405 CB CYS A 160 -11.300 16.271 -3.051 1.00 0.00 C ATOM 406 SG CYS A 160 -12.366 15.122 -2.144 1.00 0.00 S ATOM 0 H CYS A 160 -11.257 14.400 -4.755 1.00 0.00 H new ATOM 0 HA CYS A 160 -9.351 16.444 -3.939 1.00 0.00 H new ATOM 0 HB2 CYS A 160 -11.029 17.093 -2.389 1.00 0.00 H new ATOM 0 HB3 CYS A 160 -11.869 16.700 -3.876 1.00 0.00 H new ATOM 0 HG CYS A 160 -13.418 15.753 -1.714 1.00 0.00 H new ATOM 411 N LEU A 161 -8.746 15.553 -1.546 1.00 0.00 N ATOM 412 CA LEU A 161 -8.028 14.912 -0.450 1.00 0.00 C ATOM 413 C LEU A 161 -8.952 14.001 0.353 1.00 0.00 C ATOM 414 O LEU A 161 -8.560 12.908 0.760 1.00 0.00 O ATOM 415 CB LEU A 161 -7.411 15.967 0.470 1.00 0.00 C ATOM 416 CG LEU A 161 -6.506 15.415 1.573 1.00 0.00 C ATOM 417 CD1 LEU A 161 -5.339 16.355 1.829 1.00 0.00 C ATOM 418 CD2 LEU A 161 -7.302 15.190 2.850 1.00 0.00 C ATOM 0 H LEU A 161 -8.781 16.571 -1.489 1.00 0.00 H new ATOM 0 HA LEU A 161 -7.233 14.303 -0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 161 -6.834 16.664 -0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 161 -8.215 16.538 0.933 1.00 0.00 H new ATOM 0 HG LEU A 161 -6.106 14.457 1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 161 -4.707 15.945 2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 161 -4.754 16.466 0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 161 -5.718 17.329 2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 161 -6.644 14.797 3.625 1.00 0.00 H new ATOM 0 HD22 LEU A 161 -7.730 16.135 3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 161 -8.103 14.476 2.658 1.00 0.00 H new ATOM 430 N ARG A 162 -10.180 14.459 0.580 1.00 0.00 N ATOM 431 CA ARG A 162 -11.159 13.685 1.337 1.00 0.00 C ATOM 432 C ARG A 162 -11.339 12.295 0.734 1.00 0.00 C ATOM 433 O ARG A 162 -11.545 11.318 1.454 1.00 0.00 O ATOM 434 CB ARG A 162 -12.501 14.417 1.372 1.00 0.00 C ATOM 435 CG ARG A 162 -13.237 14.276 2.696 1.00 0.00 C ATOM 436 CD ARG A 162 -13.732 15.619 3.207 1.00 0.00 C ATOM 437 NE ARG A 162 -14.795 16.167 2.366 1.00 0.00 N ATOM 438 CZ ARG A 162 -16.063 15.771 2.422 1.00 0.00 C ATOM 439 NH1 ARG A 162 -16.433 14.824 3.276 1.00 0.00 N ATOM 440 NH2 ARG A 162 -16.966 16.321 1.622 1.00 0.00 N ATOM 0 H ARG A 162 -10.521 15.362 0.251 1.00 0.00 H new ATOM 0 HA ARG A 162 -10.788 13.573 2.356 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -12.334 15.475 1.170 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -13.135 14.036 0.571 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -14.082 13.599 2.573 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -12.574 13.827 3.435 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -14.099 15.506 4.227 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -12.900 16.322 3.244 1.00 0.00 H new ATOM 0 HE ARG A 162 -14.549 16.896 1.697 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -15.743 14.396 3.894 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -17.407 14.524 3.314 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -16.688 17.048 0.963 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -17.939 16.017 1.665 1.00 0.00 H new ATOM 454 N CYS A 163 -11.253 12.214 -0.589 1.00 0.00 N ATOM 455 CA CYS A 163 -11.401 10.942 -1.285 1.00 0.00 C ATOM 456 C CYS A 163 -10.111 10.135 -1.208 1.00 0.00 C ATOM 457 O CYS A 163 -10.135 8.923 -0.993 1.00 0.00 O ATOM 458 CB CYS A 163 -11.788 11.176 -2.746 1.00 0.00 C ATOM 459 SG CYS A 163 -13.559 11.432 -3.007 1.00 0.00 S ATOM 0 H CYS A 163 -11.082 13.013 -1.200 1.00 0.00 H new ATOM 0 HA CYS A 163 -12.195 10.376 -0.797 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -11.247 12.045 -3.120 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -11.464 10.320 -3.338 1.00 0.00 H new ATOM 0 HG CYS A 163 -13.737 12.267 -3.988 1.00 0.00 H new ATOM 464 N ALA A 164 -8.983 10.820 -1.374 1.00 0.00 N ATOM 465 CA ALA A 164 -7.680 10.169 -1.315 1.00 0.00 C ATOM 466 C ALA A 164 -7.457 9.533 0.054 1.00 0.00 C ATOM 467 O ALA A 164 -6.757 8.529 0.180 1.00 0.00 O ATOM 468 CB ALA A 164 -6.575 11.170 -1.621 1.00 0.00 C ATOM 0 H ALA A 164 -8.946 11.824 -1.550 1.00 0.00 H new ATOM 0 HA ALA A 164 -7.655 9.380 -2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 164 -5.608 10.670 -1.573 1.00 0.00 H new ATOM 0 HB2 ALA A 164 -6.722 11.581 -2.620 1.00 0.00 H new ATOM 0 HB3 ALA A 164 -6.603 11.977 -0.889 1.00 0.00 H new ATOM 474 N THR A 165 -8.063 10.129 1.077 1.00 0.00 N ATOM 475 CA THR A 165 -7.941 9.628 2.441 1.00 0.00 C ATOM 476 C THR A 165 -9.105 8.705 2.789 1.00 0.00 C ATOM 477 O THR A 165 -8.953 7.767 3.574 1.00 0.00 O ATOM 478 CB THR A 165 -7.895 10.785 3.458 1.00 0.00 C ATOM 479 OG1 THR A 165 -6.853 11.705 3.106 1.00 0.00 O ATOM 480 CG2 THR A 165 -7.661 10.265 4.867 1.00 0.00 C ATOM 0 H THR A 165 -8.645 10.962 0.986 1.00 0.00 H new ATOM 0 HA THR A 165 -7.007 9.068 2.495 1.00 0.00 H new ATOM 0 HB THR A 165 -8.858 11.296 3.434 1.00 0.00 H new ATOM 0 HG1 THR A 165 -7.140 12.247 2.342 1.00 0.00 H new ATOM 0 HG21 THR A 165 -7.633 11.103 5.564 1.00 0.00 H new ATOM 0 HG22 THR A 165 -8.470 9.589 5.144 1.00 0.00 H new ATOM 0 HG23 THR A 165 -6.712 9.730 4.904 1.00 0.00 H new ATOM 488 N ALA A 166 -10.264 8.975 2.199 1.00 0.00 N ATOM 489 CA ALA A 166 -11.454 8.168 2.442 1.00 0.00 C ATOM 490 C ALA A 166 -11.247 6.721 2.001 1.00 0.00 C ATOM 491 O ALA A 166 -11.984 5.827 2.419 1.00 0.00 O ATOM 492 CB ALA A 166 -12.654 8.772 1.729 1.00 0.00 C ATOM 0 H ALA A 166 -10.405 9.748 1.548 1.00 0.00 H new ATOM 0 HA ALA A 166 -11.643 8.165 3.516 1.00 0.00 H new ATOM 0 HB1 ALA A 166 -13.536 8.160 1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 166 -12.827 9.782 2.100 1.00 0.00 H new ATOM 0 HB3 ALA A 166 -12.460 8.807 0.657 1.00 0.00 H new ATOM 498 N SER A 167 -10.244 6.496 1.155 1.00 0.00 N ATOM 499 CA SER A 167 -9.940 5.156 0.657 1.00 0.00 C ATOM 500 C SER A 167 -10.955 4.721 -0.396 1.00 0.00 C ATOM 501 O SER A 167 -10.601 4.488 -1.552 1.00 0.00 O ATOM 502 CB SER A 167 -9.915 4.144 1.807 1.00 0.00 C ATOM 503 OG SER A 167 -9.373 4.721 2.983 1.00 0.00 O ATOM 0 H SER A 167 -9.627 7.226 0.799 1.00 0.00 H new ATOM 0 HA SER A 167 -8.953 5.189 0.195 1.00 0.00 H new ATOM 0 HB2 SER A 167 -10.926 3.789 2.005 1.00 0.00 H new ATOM 0 HB3 SER A 167 -9.323 3.275 1.518 1.00 0.00 H new ATOM 0 HG SER A 167 -9.370 4.055 3.702 1.00 0.00 H new ATOM 509 N PHE A 168 -12.217 4.611 0.009 1.00 0.00 N ATOM 510 CA PHE A 168 -13.278 4.202 -0.905 1.00 0.00 C ATOM 511 C PHE A 168 -14.341 5.289 -1.032 1.00 0.00 C ATOM 512 O PHE A 168 -14.595 6.038 -0.089 1.00 0.00 O ATOM 513 CB PHE A 168 -13.919 2.897 -0.424 1.00 0.00 C ATOM 514 CG PHE A 168 -14.643 3.027 0.886 1.00 0.00 C ATOM 515 CD1 PHE A 168 -13.939 3.166 2.072 1.00 0.00 C ATOM 516 CD2 PHE A 168 -16.029 3.007 0.931 1.00 0.00 C ATOM 517 CE1 PHE A 168 -14.604 3.284 3.277 1.00 0.00 C ATOM 518 CE2 PHE A 168 -16.698 3.125 2.134 1.00 0.00 C ATOM 519 CZ PHE A 168 -15.985 3.265 3.309 1.00 0.00 C ATOM 0 H PHE A 168 -12.529 4.799 0.962 1.00 0.00 H new ATOM 0 HA PHE A 168 -12.833 4.041 -1.887 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -14.618 2.545 -1.182 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -13.144 2.136 -0.327 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -12.859 3.182 2.054 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -16.592 2.898 0.016 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -14.044 3.391 4.194 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -17.778 3.108 2.156 1.00 0.00 H new ATOM 0 HZ PHE A 168 -16.506 3.359 4.250 1.00 0.00 H new ATOM 529 N VAL A 169 -14.962 5.364 -2.205 1.00 0.00 N ATOM 530 CA VAL A 169 -16.000 6.355 -2.461 1.00 0.00 C ATOM 531 C VAL A 169 -17.226 5.709 -3.098 1.00 0.00 C ATOM 532 O VAL A 169 -17.104 4.838 -3.958 1.00 0.00 O ATOM 533 CB VAL A 169 -15.490 7.481 -3.380 1.00 0.00 C ATOM 534 CG1 VAL A 169 -14.443 8.321 -2.666 1.00 0.00 C ATOM 535 CG2 VAL A 169 -14.934 6.905 -4.673 1.00 0.00 C ATOM 0 H VAL A 169 -14.764 4.749 -2.994 1.00 0.00 H new ATOM 0 HA VAL A 169 -16.275 6.783 -1.497 1.00 0.00 H new ATOM 0 HB VAL A 169 -16.330 8.128 -3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 169 -14.095 9.111 -3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 169 -14.881 8.766 -1.772 1.00 0.00 H new ATOM 0 HG13 VAL A 169 -13.602 7.689 -2.382 1.00 0.00 H new ATOM 0 HG21 VAL A 169 -14.579 7.716 -5.309 1.00 0.00 H new ATOM 0 HG22 VAL A 169 -14.107 6.233 -4.446 1.00 0.00 H new ATOM 0 HG23 VAL A 169 -15.718 6.353 -5.192 1.00 0.00 H new ATOM 545 N VAL A 170 -18.408 6.140 -2.667 1.00 0.00 N ATOM 546 CA VAL A 170 -19.656 5.598 -3.194 1.00 0.00 C ATOM 547 C VAL A 170 -19.916 6.096 -4.614 1.00 0.00 C ATOM 548 O VAL A 170 -20.883 6.814 -4.866 1.00 0.00 O ATOM 549 CB VAL A 170 -20.852 5.973 -2.297 1.00 0.00 C ATOM 550 CG1 VAL A 170 -22.118 5.277 -2.773 1.00 0.00 C ATOM 551 CG2 VAL A 170 -20.560 5.628 -0.844 1.00 0.00 C ATOM 0 H VAL A 170 -18.528 6.861 -1.956 1.00 0.00 H new ATOM 0 HA VAL A 170 -19.551 4.513 -3.209 1.00 0.00 H new ATOM 0 HB VAL A 170 -21.009 7.049 -2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 170 -22.951 5.555 -2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 170 -22.337 5.580 -3.797 1.00 0.00 H new ATOM 0 HG13 VAL A 170 -21.975 4.197 -2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 170 -21.416 5.900 -0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 170 -20.374 4.558 -0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 170 -19.681 6.179 -0.509 1.00 0.00 H new ATOM 561 N LEU A 171 -19.045 5.706 -5.540 1.00 0.00 N ATOM 562 CA LEU A 171 -19.181 6.110 -6.935 1.00 0.00 C ATOM 563 C LEU A 171 -20.513 5.633 -7.509 1.00 0.00 C ATOM 564 O LEU A 171 -21.368 5.135 -6.778 1.00 0.00 O ATOM 565 CB LEU A 171 -18.015 5.556 -7.761 1.00 0.00 C ATOM 566 CG LEU A 171 -17.494 6.491 -8.854 1.00 0.00 C ATOM 567 CD1 LEU A 171 -16.291 7.277 -8.353 1.00 0.00 C ATOM 568 CD2 LEU A 171 -17.133 5.704 -10.103 1.00 0.00 C ATOM 0 H LEU A 171 -18.238 5.111 -5.350 1.00 0.00 H new ATOM 0 HA LEU A 171 -19.160 7.199 -6.982 1.00 0.00 H new ATOM 0 HB2 LEU A 171 -17.193 5.317 -7.086 1.00 0.00 H new ATOM 0 HB3 LEU A 171 -18.330 4.621 -8.224 1.00 0.00 H new ATOM 0 HG LEU A 171 -18.285 7.196 -9.109 1.00 0.00 H new ATOM 0 HD11 LEU A 171 -15.933 7.937 -9.143 1.00 0.00 H new ATOM 0 HD12 LEU A 171 -16.580 7.872 -7.486 1.00 0.00 H new ATOM 0 HD13 LEU A 171 -15.497 6.586 -8.070 1.00 0.00 H new ATOM 0 HD21 LEU A 171 -16.764 6.386 -10.869 1.00 0.00 H new ATOM 0 HD22 LEU A 171 -16.359 4.976 -9.863 1.00 0.00 H new ATOM 0 HD23 LEU A 171 -18.017 5.185 -10.474 1.00 0.00 H new ATOM 580 N ASP A 172 -20.687 5.795 -8.818 1.00 0.00 N ATOM 581 CA ASP A 172 -21.920 5.387 -9.488 1.00 0.00 C ATOM 582 C ASP A 172 -22.294 3.949 -9.139 1.00 0.00 C ATOM 583 O ASP A 172 -21.852 3.004 -9.794 1.00 0.00 O ATOM 584 CB ASP A 172 -21.772 5.532 -11.004 1.00 0.00 C ATOM 585 CG ASP A 172 -23.094 5.380 -11.729 1.00 0.00 C ATOM 586 OD1 ASP A 172 -24.147 5.627 -11.104 1.00 0.00 O ATOM 587 OD2 ASP A 172 -23.077 5.014 -12.924 1.00 0.00 O ATOM 0 H ASP A 172 -19.989 6.207 -9.437 1.00 0.00 H new ATOM 0 HA ASP A 172 -22.720 6.040 -9.139 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -21.345 6.508 -11.233 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -21.071 4.783 -11.371 1.00 0.00 H new ATOM 592 N GLY A 173 -23.119 3.792 -8.107 1.00 0.00 N ATOM 593 CA GLY A 173 -23.552 2.470 -7.685 1.00 0.00 C ATOM 594 C GLY A 173 -22.406 1.481 -7.567 1.00 0.00 C ATOM 595 O GLY A 173 -22.592 0.281 -7.764 1.00 0.00 O ATOM 0 H GLY A 173 -23.497 4.560 -7.553 1.00 0.00 H new ATOM 0 HA2 GLY A 173 -24.057 2.549 -6.722 1.00 0.00 H new ATOM 0 HA3 GLY A 173 -24.283 2.088 -8.398 1.00 0.00 H new ATOM 599 N GLU A 174 -21.220 1.984 -7.245 1.00 0.00 N ATOM 600 CA GLU A 174 -20.044 1.132 -7.104 1.00 0.00 C ATOM 601 C GLU A 174 -18.963 1.822 -6.280 1.00 0.00 C ATOM 602 O GLU A 174 -18.635 2.985 -6.516 1.00 0.00 O ATOM 603 CB GLU A 174 -19.491 0.758 -8.480 1.00 0.00 C ATOM 604 CG GLU A 174 -20.259 -0.364 -9.161 1.00 0.00 C ATOM 605 CD GLU A 174 -19.354 -1.307 -9.928 1.00 0.00 C ATOM 606 OE1 GLU A 174 -18.963 -0.963 -11.063 1.00 0.00 O ATOM 607 OE2 GLU A 174 -19.034 -2.389 -9.393 1.00 0.00 O ATOM 0 H GLU A 174 -21.047 2.975 -7.077 1.00 0.00 H new ATOM 0 HA GLU A 174 -20.347 0.225 -6.582 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -19.508 1.640 -9.121 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -18.448 0.461 -8.374 1.00 0.00 H new ATOM 0 HG2 GLU A 174 -20.813 -0.928 -8.411 1.00 0.00 H new ATOM 0 HG3 GLU A 174 -20.993 0.065 -9.843 1.00 0.00 H new ATOM 614 N ASN A 175 -18.409 1.096 -5.314 1.00 0.00 N ATOM 615 CA ASN A 175 -17.361 1.637 -4.458 1.00 0.00 C ATOM 616 C ASN A 175 -15.998 1.513 -5.133 1.00 0.00 C ATOM 617 O ASN A 175 -15.527 0.408 -5.401 1.00 0.00 O ATOM 618 CB ASN A 175 -17.345 0.909 -3.112 1.00 0.00 C ATOM 619 CG ASN A 175 -18.588 1.188 -2.291 1.00 0.00 C ATOM 620 OD1 ASN A 175 -19.526 1.831 -2.761 1.00 0.00 O ATOM 621 ND2 ASN A 175 -18.601 0.703 -1.054 1.00 0.00 N ATOM 0 H ASN A 175 -18.669 0.132 -5.105 1.00 0.00 H new ATOM 0 HA ASN A 175 -17.571 2.693 -4.287 1.00 0.00 H new ATOM 0 HB2 ASN A 175 -17.259 -0.164 -3.283 1.00 0.00 H new ATOM 0 HB3 ASN A 175 -16.464 1.214 -2.547 1.00 0.00 H new ATOM 0 HD21 ASN A 175 -19.411 0.859 -0.454 1.00 0.00 H new ATOM 0 HD22 ASN A 175 -17.801 0.175 -0.705 1.00 0.00 H new ATOM 628 N LYS A 176 -15.375 2.652 -5.411 1.00 0.00 N ATOM 629 CA LYS A 176 -14.071 2.668 -6.059 1.00 0.00 C ATOM 630 C LYS A 176 -12.956 2.898 -5.046 1.00 0.00 C ATOM 631 O LYS A 176 -13.150 3.580 -4.040 1.00 0.00 O ATOM 632 CB LYS A 176 -14.025 3.754 -7.136 1.00 0.00 C ATOM 633 CG LYS A 176 -15.134 3.632 -8.169 1.00 0.00 C ATOM 634 CD LYS A 176 -15.124 2.269 -8.839 1.00 0.00 C ATOM 635 CE LYS A 176 -15.527 2.364 -10.301 1.00 0.00 C ATOM 636 NZ LYS A 176 -16.995 2.203 -10.486 1.00 0.00 N ATOM 0 H LYS A 176 -15.752 3.575 -5.198 1.00 0.00 H new ATOM 0 HA LYS A 176 -13.918 1.694 -6.524 1.00 0.00 H new ATOM 0 HB2 LYS A 176 -14.091 4.731 -6.658 1.00 0.00 H new ATOM 0 HB3 LYS A 176 -13.061 3.711 -7.643 1.00 0.00 H new ATOM 0 HG2 LYS A 176 -16.099 3.796 -7.689 1.00 0.00 H new ATOM 0 HG3 LYS A 176 -15.017 4.410 -8.923 1.00 0.00 H new ATOM 0 HD2 LYS A 176 -14.128 1.832 -8.763 1.00 0.00 H new ATOM 0 HD3 LYS A 176 -15.807 1.600 -8.315 1.00 0.00 H new ATOM 0 HE2 LYS A 176 -15.215 3.329 -10.701 1.00 0.00 H new ATOM 0 HE3 LYS A 176 -15.003 1.597 -10.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 -17.225 2.257 -11.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 -17.293 1.279 -10.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 -17.494 2.960 -9.976 1.00 0.00 H new ATOM 650 N ARG A 177 -11.788 2.326 -5.319 1.00 0.00 N ATOM 651 CA ARG A 177 -10.639 2.467 -4.433 1.00 0.00 C ATOM 652 C ARG A 177 -9.468 3.116 -5.165 1.00 0.00 C ATOM 653 O ARG A 177 -9.050 2.649 -6.224 1.00 0.00 O ATOM 654 CB ARG A 177 -10.220 1.103 -3.883 1.00 0.00 C ATOM 655 CG ARG A 177 -9.762 1.146 -2.436 1.00 0.00 C ATOM 656 CD ARG A 177 -8.358 1.717 -2.312 1.00 0.00 C ATOM 657 NE ARG A 177 -7.846 1.621 -0.947 1.00 0.00 N ATOM 658 CZ ARG A 177 -6.633 2.026 -0.579 1.00 0.00 C ATOM 659 NH1 ARG A 177 -5.803 2.554 -1.472 1.00 0.00 N ATOM 660 NH2 ARG A 177 -6.246 1.904 0.682 1.00 0.00 N ATOM 0 H ARG A 177 -11.612 1.759 -6.149 1.00 0.00 H new ATOM 0 HA ARG A 177 -10.928 3.110 -3.602 1.00 0.00 H new ATOM 0 HB2 ARG A 177 -11.059 0.412 -3.970 1.00 0.00 H new ATOM 0 HB3 ARG A 177 -9.414 0.704 -4.499 1.00 0.00 H new ATOM 0 HG2 ARG A 177 -10.455 1.752 -1.852 1.00 0.00 H new ATOM 0 HG3 ARG A 177 -9.785 0.140 -2.016 1.00 0.00 H new ATOM 0 HD2 ARG A 177 -7.689 1.185 -2.988 1.00 0.00 H new ATOM 0 HD3 ARG A 177 -8.362 2.761 -2.625 1.00 0.00 H new ATOM 0 HE ARG A 177 -8.455 1.220 -0.234 1.00 0.00 H new ATOM 0 HH11 ARG A 177 -6.095 2.650 -2.445 1.00 0.00 H new ATOM 0 HH12 ARG A 177 -4.874 2.863 -1.185 1.00 0.00 H new ATOM 0 HH21 ARG A 177 -6.878 1.499 1.373 1.00 0.00 H new ATOM 0 HH22 ARG A 177 -5.316 2.215 0.962 1.00 0.00 H new ATOM 674 N TYR A 178 -8.948 4.198 -4.596 1.00 0.00 N ATOM 675 CA TYR A 178 -7.828 4.913 -5.196 1.00 0.00 C ATOM 676 C TYR A 178 -6.594 4.021 -5.289 1.00 0.00 C ATOM 677 O TYR A 178 -5.928 3.758 -4.287 1.00 0.00 O ATOM 678 CB TYR A 178 -7.504 6.169 -4.387 1.00 0.00 C ATOM 679 CG TYR A 178 -6.594 7.135 -5.109 1.00 0.00 C ATOM 680 CD1 TYR A 178 -7.112 8.125 -5.935 1.00 0.00 C ATOM 681 CD2 TYR A 178 -5.214 7.058 -4.966 1.00 0.00 C ATOM 682 CE1 TYR A 178 -6.283 9.008 -6.598 1.00 0.00 C ATOM 683 CE2 TYR A 178 -4.377 7.938 -5.626 1.00 0.00 C ATOM 684 CZ TYR A 178 -4.918 8.912 -6.440 1.00 0.00 C ATOM 685 OH TYR A 178 -4.088 9.790 -7.098 1.00 0.00 O ATOM 0 H TYR A 178 -9.284 4.599 -3.720 1.00 0.00 H new ATOM 0 HA TYR A 178 -8.118 5.204 -6.206 1.00 0.00 H new ATOM 0 HB2 TYR A 178 -8.434 6.678 -4.135 1.00 0.00 H new ATOM 0 HB3 TYR A 178 -7.036 5.875 -3.447 1.00 0.00 H new ATOM 0 HD1 TYR A 178 -8.182 8.205 -6.061 1.00 0.00 H new ATOM 0 HD2 TYR A 178 -4.788 6.298 -4.328 1.00 0.00 H new ATOM 0 HE1 TYR A 178 -6.703 9.770 -7.237 1.00 0.00 H new ATOM 0 HE2 TYR A 178 -3.306 7.864 -5.505 1.00 0.00 H new ATOM 0 HH TYR A 178 -4.156 10.676 -6.685 1.00 0.00 H new ATOM 695 N CYS A 179 -6.295 3.560 -6.500 1.00 0.00 N ATOM 696 CA CYS A 179 -5.140 2.699 -6.728 1.00 0.00 C ATOM 697 C CYS A 179 -3.856 3.521 -6.778 1.00 0.00 C ATOM 698 O CYS A 179 -3.630 4.276 -7.721 1.00 0.00 O ATOM 699 CB CYS A 179 -5.315 1.920 -8.034 1.00 0.00 C ATOM 700 SG CYS A 179 -3.932 0.828 -8.442 1.00 0.00 S ATOM 0 H CYS A 179 -6.837 3.769 -7.339 1.00 0.00 H new ATOM 0 HA CYS A 179 -5.067 1.995 -5.899 1.00 0.00 H new ATOM 0 HB2 CYS A 179 -6.226 1.324 -7.969 1.00 0.00 H new ATOM 0 HB3 CYS A 179 -5.456 2.629 -8.850 1.00 0.00 H new ATOM 0 HG CYS A 179 -3.960 0.548 -9.711 1.00 0.00 H new ATOM 705 N GLN A 180 -3.023 3.373 -5.754 1.00 0.00 N ATOM 706 CA GLN A 180 -1.764 4.107 -5.681 1.00 0.00 C ATOM 707 C GLN A 180 -0.775 3.640 -6.751 1.00 0.00 C ATOM 708 O GLN A 180 0.248 4.284 -6.982 1.00 0.00 O ATOM 709 CB GLN A 180 -1.139 3.944 -4.294 1.00 0.00 C ATOM 710 CG GLN A 180 -1.642 4.959 -3.279 1.00 0.00 C ATOM 711 CD GLN A 180 -0.941 4.837 -1.939 1.00 0.00 C ATOM 712 OE1 GLN A 180 -0.561 3.743 -1.521 1.00 0.00 O ATOM 713 NE2 GLN A 180 -0.768 5.963 -1.257 1.00 0.00 N ATOM 0 H GLN A 180 -3.196 2.752 -4.963 1.00 0.00 H new ATOM 0 HA GLN A 180 -1.985 5.159 -5.862 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -1.348 2.940 -3.926 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -0.056 4.033 -4.379 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -1.495 5.965 -3.672 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -2.715 4.826 -3.138 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -1.099 6.848 -1.641 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -0.304 5.943 -0.349 1.00 0.00 H new ATOM 722 N GLN A 181 -1.080 2.518 -7.399 1.00 0.00 N ATOM 723 CA GLN A 181 -0.207 1.976 -8.434 1.00 0.00 C ATOM 724 C GLN A 181 -0.397 2.708 -9.761 1.00 0.00 C ATOM 725 O GLN A 181 0.557 2.898 -10.516 1.00 0.00 O ATOM 726 CB GLN A 181 -0.474 0.482 -8.623 1.00 0.00 C ATOM 727 CG GLN A 181 0.689 -0.268 -9.254 1.00 0.00 C ATOM 728 CD GLN A 181 0.235 -1.428 -10.118 1.00 0.00 C ATOM 729 OE1 GLN A 181 0.153 -2.566 -9.657 1.00 0.00 O ATOM 730 NE2 GLN A 181 -0.062 -1.144 -11.381 1.00 0.00 N ATOM 0 H GLN A 181 -1.922 1.969 -7.226 1.00 0.00 H new ATOM 0 HA GLN A 181 0.823 2.121 -8.109 1.00 0.00 H new ATOM 0 HB2 GLN A 181 -0.700 0.036 -7.654 1.00 0.00 H new ATOM 0 HB3 GLN A 181 -1.359 0.355 -9.247 1.00 0.00 H new ATOM 0 HG2 GLN A 181 1.276 0.423 -9.859 1.00 0.00 H new ATOM 0 HG3 GLN A 181 1.346 -0.641 -8.468 1.00 0.00 H new ATOM 0 HE21 GLN A 181 0.020 -0.186 -11.721 1.00 0.00 H new ATOM 0 HE22 GLN A 181 -0.372 -1.884 -12.011 1.00 0.00 H new ATOM 739 N CYS A 182 -1.633 3.109 -10.045 1.00 0.00 N ATOM 740 CA CYS A 182 -1.938 3.811 -11.289 1.00 0.00 C ATOM 741 C CYS A 182 -2.405 5.241 -11.026 1.00 0.00 C ATOM 742 O CYS A 182 -2.306 6.104 -11.898 1.00 0.00 O ATOM 743 CB CYS A 182 -3.010 3.051 -12.073 1.00 0.00 C ATOM 744 SG CYS A 182 -2.681 1.282 -12.246 1.00 0.00 S ATOM 0 H CYS A 182 -2.436 2.961 -9.434 1.00 0.00 H new ATOM 0 HA CYS A 182 -1.021 3.858 -11.877 1.00 0.00 H new ATOM 0 HB2 CYS A 182 -3.971 3.184 -11.577 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -3.100 3.492 -13.066 1.00 0.00 H new ATOM 0 HG CYS A 182 -3.643 0.726 -12.921 1.00 0.00 H new ATOM 749 N GLY A 183 -2.916 5.486 -9.824 1.00 0.00 N ATOM 750 CA GLY A 183 -3.390 6.811 -9.478 1.00 0.00 C ATOM 751 C GLY A 183 -4.881 6.969 -9.704 1.00 0.00 C ATOM 752 O GLY A 183 -5.578 7.578 -8.893 1.00 0.00 O ATOM 0 H GLY A 183 -3.010 4.790 -9.084 1.00 0.00 H new ATOM 0 HA2 GLY A 183 -3.160 7.014 -8.432 1.00 0.00 H new ATOM 0 HA3 GLY A 183 -2.855 7.552 -10.072 1.00 0.00 H new ATOM 756 N LYS A 184 -5.370 6.420 -10.811 1.00 0.00 N ATOM 757 CA LYS A 184 -6.788 6.502 -11.144 1.00 0.00 C ATOM 758 C LYS A 184 -7.622 5.674 -10.171 1.00 0.00 C ATOM 759 O LYS A 184 -7.093 5.082 -9.231 1.00 0.00 O ATOM 760 CB LYS A 184 -7.024 6.020 -12.576 1.00 0.00 C ATOM 761 CG LYS A 184 -6.405 4.665 -12.875 1.00 0.00 C ATOM 762 CD LYS A 184 -6.992 4.049 -14.136 1.00 0.00 C ATOM 763 CE LYS A 184 -5.908 3.470 -15.031 1.00 0.00 C ATOM 764 NZ LYS A 184 -5.282 2.258 -14.434 1.00 0.00 N ATOM 0 H LYS A 184 -4.805 5.913 -11.493 1.00 0.00 H new ATOM 0 HA LYS A 184 -7.097 7.544 -11.064 1.00 0.00 H new ATOM 0 HB2 LYS A 184 -8.097 5.968 -12.760 1.00 0.00 H new ATOM 0 HB3 LYS A 184 -6.617 6.756 -13.269 1.00 0.00 H new ATOM 0 HG2 LYS A 184 -5.327 4.774 -12.990 1.00 0.00 H new ATOM 0 HG3 LYS A 184 -6.569 3.995 -12.031 1.00 0.00 H new ATOM 0 HD2 LYS A 184 -7.698 3.264 -13.864 1.00 0.00 H new ATOM 0 HD3 LYS A 184 -7.552 4.806 -14.685 1.00 0.00 H new ATOM 0 HE2 LYS A 184 -6.335 3.217 -16.001 1.00 0.00 H new ATOM 0 HE3 LYS A 184 -5.142 4.225 -15.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 184 -4.321 2.140 -14.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 184 -5.234 2.365 -13.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 184 -5.852 1.421 -14.669 1.00 0.00 H new ATOM 778 N PHE A 185 -8.931 5.638 -10.403 1.00 0.00 N ATOM 779 CA PHE A 185 -9.840 4.885 -9.546 1.00 0.00 C ATOM 780 C PHE A 185 -10.020 3.459 -10.059 1.00 0.00 C ATOM 781 O PHE A 185 -9.930 3.203 -11.260 1.00 0.00 O ATOM 782 CB PHE A 185 -11.199 5.584 -9.469 1.00 0.00 C ATOM 783 CG PHE A 185 -11.221 6.750 -8.522 1.00 0.00 C ATOM 784 CD1 PHE A 185 -10.709 6.628 -7.240 1.00 0.00 C ATOM 785 CD2 PHE A 185 -11.759 7.965 -8.913 1.00 0.00 C ATOM 786 CE1 PHE A 185 -10.730 7.699 -6.368 1.00 0.00 C ATOM 787 CE2 PHE A 185 -11.783 9.039 -8.044 1.00 0.00 C ATOM 788 CZ PHE A 185 -11.269 8.906 -6.769 1.00 0.00 C ATOM 0 H PHE A 185 -9.386 6.122 -11.177 1.00 0.00 H new ATOM 0 HA PHE A 185 -9.403 4.841 -8.549 1.00 0.00 H new ATOM 0 HB2 PHE A 185 -11.478 5.929 -10.465 1.00 0.00 H new ATOM 0 HB3 PHE A 185 -11.954 4.861 -9.160 1.00 0.00 H new ATOM 0 HD1 PHE A 185 -10.289 5.686 -6.919 1.00 0.00 H new ATOM 0 HD2 PHE A 185 -12.164 8.074 -9.908 1.00 0.00 H new ATOM 0 HE1 PHE A 185 -10.325 7.593 -5.372 1.00 0.00 H new ATOM 0 HE2 PHE A 185 -12.203 9.982 -8.362 1.00 0.00 H new ATOM 0 HZ PHE A 185 -11.288 9.743 -6.087 1.00 0.00 H new ATOM 798 N HIS A 186 -10.276 2.534 -9.139 1.00 0.00 N ATOM 799 CA HIS A 186 -10.473 1.133 -9.494 1.00 0.00 C ATOM 800 C HIS A 186 -11.645 0.538 -8.721 1.00 0.00 C ATOM 801 O HIS A 186 -12.189 1.170 -7.816 1.00 0.00 O ATOM 802 CB HIS A 186 -9.203 0.330 -9.212 1.00 0.00 C ATOM 803 CG HIS A 186 -8.122 0.535 -10.227 1.00 0.00 C ATOM 804 ND1 HIS A 186 -8.354 1.058 -11.481 1.00 0.00 N ATOM 805 CD2 HIS A 186 -6.792 0.283 -10.165 1.00 0.00 C ATOM 806 CE1 HIS A 186 -7.215 1.119 -12.148 1.00 0.00 C ATOM 807 NE2 HIS A 186 -6.252 0.657 -11.371 1.00 0.00 N ATOM 0 H HIS A 186 -10.352 2.730 -8.141 1.00 0.00 H new ATOM 0 HA HIS A 186 -10.698 1.082 -10.559 1.00 0.00 H new ATOM 0 HB2 HIS A 186 -8.822 0.604 -8.228 1.00 0.00 H new ATOM 0 HB3 HIS A 186 -9.455 -0.730 -9.172 1.00 0.00 H new ATOM 0 HD1 HIS A 186 -9.263 1.352 -11.838 1.00 0.00 H new ATOM 0 HD2 HIS A 186 -6.257 -0.134 -9.325 1.00 0.00 H new ATOM 0 HE1 HIS A 186 -7.092 1.484 -13.157 1.00 0.00 H new ATOM 815 N LEU A 187 -12.028 -0.682 -9.082 1.00 0.00 N ATOM 816 CA LEU A 187 -13.135 -1.361 -8.419 1.00 0.00 C ATOM 817 C LEU A 187 -12.663 -2.050 -7.142 1.00 0.00 C ATOM 818 O LEU A 187 -11.639 -2.732 -7.135 1.00 0.00 O ATOM 819 CB LEU A 187 -13.774 -2.383 -9.365 1.00 0.00 C ATOM 820 CG LEU A 187 -15.295 -2.280 -9.496 1.00 0.00 C ATOM 821 CD1 LEU A 187 -15.699 -0.886 -9.950 1.00 0.00 C ATOM 822 CD2 LEU A 187 -15.817 -3.331 -10.465 1.00 0.00 C ATOM 0 H LEU A 187 -11.589 -1.220 -9.829 1.00 0.00 H new ATOM 0 HA LEU A 187 -13.881 -0.613 -8.150 1.00 0.00 H new ATOM 0 HB2 LEU A 187 -13.331 -2.267 -10.354 1.00 0.00 H new ATOM 0 HB3 LEU A 187 -13.521 -3.385 -9.018 1.00 0.00 H new ATOM 0 HG LEU A 187 -15.739 -2.463 -8.517 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -16.784 -0.832 -10.037 1.00 0.00 H new ATOM 0 HD12 LEU A 187 -15.357 -0.152 -9.220 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -15.246 -0.673 -10.918 1.00 0.00 H new ATOM 0 HD21 LEU A 187 -16.900 -3.244 -10.547 1.00 0.00 H new ATOM 0 HD22 LEU A 187 -15.366 -3.178 -11.445 1.00 0.00 H new ATOM 0 HD23 LEU A 187 -15.559 -4.324 -10.098 1.00 0.00 H new ATOM 834 N LEU A 188 -13.419 -1.867 -6.063 1.00 0.00 N ATOM 835 CA LEU A 188 -13.078 -2.469 -4.780 1.00 0.00 C ATOM 836 C LEU A 188 -13.180 -3.999 -4.818 1.00 0.00 C ATOM 837 O LEU A 188 -12.332 -4.685 -4.249 1.00 0.00 O ATOM 838 CB LEU A 188 -13.972 -1.905 -3.668 1.00 0.00 C ATOM 839 CG LEU A 188 -13.225 -1.183 -2.547 1.00 0.00 C ATOM 840 CD1 LEU A 188 -14.206 -0.508 -1.601 1.00 0.00 C ATOM 841 CD2 LEU A 188 -12.332 -2.154 -1.790 1.00 0.00 C ATOM 0 H LEU A 188 -14.271 -1.307 -6.053 1.00 0.00 H new ATOM 0 HA LEU A 188 -12.040 -2.214 -4.568 1.00 0.00 H new ATOM 0 HB2 LEU A 188 -14.687 -1.213 -4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 188 -14.547 -2.723 -3.234 1.00 0.00 H new ATOM 0 HG LEU A 188 -12.594 -0.414 -2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 188 -13.656 0.001 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 188 -14.803 0.218 -2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 188 -14.863 -1.259 -1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 188 -11.808 -1.623 -0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 188 -12.942 -2.946 -1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 188 -11.605 -2.590 -2.476 1.00 0.00 H new ATOM 853 N PRO A 189 -14.211 -4.570 -5.480 1.00 0.00 N ATOM 854 CA PRO A 189 -14.370 -6.027 -5.554 1.00 0.00 C ATOM 855 C PRO A 189 -13.256 -6.700 -6.353 1.00 0.00 C ATOM 856 O PRO A 189 -13.087 -7.917 -6.294 1.00 0.00 O ATOM 857 CB PRO A 189 -15.719 -6.214 -6.252 1.00 0.00 C ATOM 858 CG PRO A 189 -15.933 -4.956 -7.014 1.00 0.00 C ATOM 859 CD PRO A 189 -15.292 -3.866 -6.203 1.00 0.00 C ATOM 0 HA PRO A 189 -14.323 -6.484 -4.566 1.00 0.00 H new ATOM 0 HB2 PRO A 189 -15.704 -7.080 -6.914 1.00 0.00 H new ATOM 0 HB3 PRO A 189 -16.518 -6.379 -5.529 1.00 0.00 H new ATOM 0 HG2 PRO A 189 -15.485 -5.019 -8.006 1.00 0.00 H new ATOM 0 HG3 PRO A 189 -16.996 -4.762 -7.157 1.00 0.00 H new ATOM 0 HD2 PRO A 189 -14.900 -3.071 -6.837 1.00 0.00 H new ATOM 0 HD3 PRO A 189 -16.002 -3.406 -5.516 1.00 0.00 H new ATOM 867 N ASP A 190 -12.497 -5.902 -7.099 1.00 0.00 N ATOM 868 CA ASP A 190 -11.402 -6.427 -7.905 1.00 0.00 C ATOM 869 C ASP A 190 -10.060 -6.207 -7.209 1.00 0.00 C ATOM 870 O ASP A 190 -9.078 -5.821 -7.842 1.00 0.00 O ATOM 871 CB ASP A 190 -11.390 -5.764 -9.285 1.00 0.00 C ATOM 872 CG ASP A 190 -10.977 -6.721 -10.384 1.00 0.00 C ATOM 873 OD1 ASP A 190 -11.707 -7.708 -10.617 1.00 0.00 O ATOM 874 OD2 ASP A 190 -9.922 -6.486 -11.011 1.00 0.00 O ATOM 0 H ASP A 190 -12.621 -4.891 -7.161 1.00 0.00 H new ATOM 0 HA ASP A 190 -11.556 -7.499 -8.028 1.00 0.00 H new ATOM 0 HB2 ASP A 190 -12.383 -5.370 -9.504 1.00 0.00 H new ATOM 0 HB3 ASP A 190 -10.706 -4.915 -9.271 1.00 0.00 H new