USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=12 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 -137:sc=-0.00996 USER MOD Set 1.2: A 182 CYS SG : rot 180:sc= 0.0772 USER MOD Set 1.3: A 186 HIS : no HD1:sc= -1.02 X(o=-0.95,f=-1.2) USER MOD Set 2.1: A 138 CYS SG : rot -93:sc= -3.61! USER MOD Set 2.2: A 143 CYS SG : rot 180:sc= 0 USER MOD Set 2.3: A 160 CYS SG : rot -46:sc= -0.895 USER MOD Set 2.4: A 163 CYS SG : rot 147:sc= -2.07! USER MOD Single : A 139 GLN : amide:sc= -0.247 K(o=-0.25,f=-1.3!) USER MOD Single : A 148 SER OG : rot 108:sc= 0.358 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 HE2:sc= -3.25 K(o=-3.3,f=-4.2!) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 HIS : no HD1:sc= -2.56 X(o=-2.6,f=-2.2) USER MOD Single : A 165 THR OG1 : rot 180:sc= 0 USER MOD Single : A 167 SER OG : rot 180:sc= 0 USER MOD Single : A 175 ASN : amide:sc= -0.439 K(o=-0.44,f=-3.2!) USER MOD Single : A 176 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 178 TYR OH : rot 130:sc= 1.66 USER MOD Single : A 180 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 181 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 184 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N ALA A 136 -8.125 20.655 -11.867 1.00 0.00 N ATOM 18 CA ALA A 136 -8.353 19.615 -10.872 1.00 0.00 C ATOM 19 C ALA A 136 -9.724 19.768 -10.223 1.00 0.00 C ATOM 20 O ALA A 136 -10.054 20.825 -9.689 1.00 0.00 O ATOM 21 CB ALA A 136 -7.257 19.649 -9.815 1.00 0.00 C ATOM 0 HA ALA A 136 -8.326 18.649 -11.377 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -7.439 18.867 -9.077 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -6.289 19.483 -10.289 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -7.258 20.621 -9.321 1.00 0.00 H new ATOM 27 N ARG A 137 -10.522 18.705 -10.276 1.00 0.00 N ATOM 28 CA ARG A 137 -11.859 18.728 -9.693 1.00 0.00 C ATOM 29 C ARG A 137 -12.372 17.312 -9.444 1.00 0.00 C ATOM 30 O ARG A 137 -12.559 16.536 -10.382 1.00 0.00 O ATOM 31 CB ARG A 137 -12.820 19.480 -10.617 1.00 0.00 C ATOM 32 CG ARG A 137 -14.265 19.468 -10.142 1.00 0.00 C ATOM 33 CD ARG A 137 -15.096 18.453 -10.911 1.00 0.00 C ATOM 34 NE ARG A 137 -15.482 18.948 -12.230 1.00 0.00 N ATOM 35 CZ ARG A 137 -16.496 19.784 -12.441 1.00 0.00 C ATOM 36 NH1 ARG A 137 -17.228 20.221 -11.423 1.00 0.00 N ATOM 37 NH2 ARG A 137 -16.778 20.186 -13.673 1.00 0.00 N ATOM 0 H ARG A 137 -10.267 17.820 -10.715 1.00 0.00 H new ATOM 0 HA ARG A 137 -11.805 19.244 -8.734 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -12.486 20.514 -10.709 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -12.771 19.039 -11.613 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -14.297 19.235 -9.078 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -14.697 20.461 -10.264 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -14.528 17.529 -11.022 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -15.991 18.210 -10.339 1.00 0.00 H new ATOM 0 HE ARG A 137 -14.943 18.634 -13.037 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -17.014 19.916 -10.473 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -18.004 20.862 -11.591 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -16.218 19.855 -14.458 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -17.555 20.827 -13.835 1.00 0.00 H new ATOM 51 N CYS A 138 -12.607 16.980 -8.176 1.00 0.00 N ATOM 52 CA CYS A 138 -13.109 15.657 -7.818 1.00 0.00 C ATOM 53 C CYS A 138 -14.454 15.404 -8.489 1.00 0.00 C ATOM 54 O CYS A 138 -15.495 15.850 -8.004 1.00 0.00 O ATOM 55 CB CYS A 138 -13.240 15.522 -6.300 1.00 0.00 C ATOM 56 SG CYS A 138 -13.565 13.833 -5.744 1.00 0.00 S ATOM 0 H CYS A 138 -12.459 17.606 -7.384 1.00 0.00 H new ATOM 0 HA CYS A 138 -12.395 14.911 -8.169 1.00 0.00 H new ATOM 0 HB2 CYS A 138 -12.322 15.878 -5.832 1.00 0.00 H new ATOM 0 HB3 CYS A 138 -14.046 16.170 -5.955 1.00 0.00 H new ATOM 0 HG CYS A 138 -14.848 13.650 -5.639 1.00 0.00 H new ATOM 61 N GLN A 139 -14.416 14.704 -9.620 1.00 0.00 N ATOM 62 CA GLN A 139 -15.621 14.407 -10.389 1.00 0.00 C ATOM 63 C GLN A 139 -16.307 13.123 -9.925 1.00 0.00 C ATOM 64 O GLN A 139 -16.771 12.331 -10.747 1.00 0.00 O ATOM 65 CB GLN A 139 -15.278 14.296 -11.877 1.00 0.00 C ATOM 66 CG GLN A 139 -14.142 13.329 -12.170 1.00 0.00 C ATOM 67 CD GLN A 139 -14.604 12.088 -12.909 1.00 0.00 C ATOM 68 OE1 GLN A 139 -15.558 12.131 -13.684 1.00 0.00 O ATOM 69 NE2 GLN A 139 -13.925 10.971 -12.669 1.00 0.00 N ATOM 0 H GLN A 139 -13.558 14.330 -10.026 1.00 0.00 H new ATOM 0 HA GLN A 139 -16.317 15.230 -10.225 1.00 0.00 H new ATOM 0 HB2 GLN A 139 -16.166 13.976 -12.423 1.00 0.00 H new ATOM 0 HB3 GLN A 139 -15.010 15.283 -12.254 1.00 0.00 H new ATOM 0 HG2 GLN A 139 -13.382 13.838 -12.763 1.00 0.00 H new ATOM 0 HG3 GLN A 139 -13.671 13.034 -11.232 1.00 0.00 H new ATOM 0 HE21 GLN A 139 -13.140 10.981 -12.018 1.00 0.00 H new ATOM 0 HE22 GLN A 139 -14.189 10.103 -13.136 1.00 0.00 H new ATOM 78 N VAL A 140 -16.390 12.921 -8.615 1.00 0.00 N ATOM 79 CA VAL A 140 -17.045 11.734 -8.079 1.00 0.00 C ATOM 80 C VAL A 140 -18.532 12.003 -7.847 1.00 0.00 C ATOM 81 O VAL A 140 -18.892 12.939 -7.132 1.00 0.00 O ATOM 82 CB VAL A 140 -16.399 11.268 -6.760 1.00 0.00 C ATOM 83 CG1 VAL A 140 -16.956 9.915 -6.337 1.00 0.00 C ATOM 84 CG2 VAL A 140 -14.885 11.206 -6.899 1.00 0.00 C ATOM 0 H VAL A 140 -16.016 13.557 -7.911 1.00 0.00 H new ATOM 0 HA VAL A 140 -16.925 10.941 -8.817 1.00 0.00 H new ATOM 0 HB VAL A 140 -16.642 11.994 -5.984 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -16.487 9.604 -5.404 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -18.034 9.994 -6.193 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -16.747 9.177 -7.112 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -14.446 10.875 -5.958 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -14.621 10.503 -7.689 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -14.502 12.195 -7.150 1.00 0.00 H new ATOM 94 N PRO A 141 -19.423 11.194 -8.451 1.00 0.00 N ATOM 95 CA PRO A 141 -20.871 11.364 -8.305 1.00 0.00 C ATOM 96 C PRO A 141 -21.292 11.646 -6.865 1.00 0.00 C ATOM 97 O PRO A 141 -21.981 12.630 -6.591 1.00 0.00 O ATOM 98 CB PRO A 141 -21.422 10.020 -8.774 1.00 0.00 C ATOM 99 CG PRO A 141 -20.434 9.545 -9.781 1.00 0.00 C ATOM 100 CD PRO A 141 -19.090 10.052 -9.328 1.00 0.00 C ATOM 0 HA PRO A 141 -21.241 12.219 -8.870 1.00 0.00 H new ATOM 0 HB2 PRO A 141 -21.514 9.318 -7.946 1.00 0.00 H new ATOM 0 HB3 PRO A 141 -22.414 10.128 -9.212 1.00 0.00 H new ATOM 0 HG2 PRO A 141 -20.437 8.457 -9.845 1.00 0.00 H new ATOM 0 HG3 PRO A 141 -20.678 9.924 -10.774 1.00 0.00 H new ATOM 0 HD2 PRO A 141 -18.533 9.284 -8.791 1.00 0.00 H new ATOM 0 HD3 PRO A 141 -18.474 10.362 -10.172 1.00 0.00 H new ATOM 108 N ASP A 142 -20.878 10.777 -5.950 1.00 0.00 N ATOM 109 CA ASP A 142 -21.216 10.933 -4.541 1.00 0.00 C ATOM 110 C ASP A 142 -20.392 12.042 -3.891 1.00 0.00 C ATOM 111 O ASP A 142 -20.776 12.582 -2.852 1.00 0.00 O ATOM 112 CB ASP A 142 -20.993 9.616 -3.794 1.00 0.00 C ATOM 113 CG ASP A 142 -19.580 9.092 -3.952 1.00 0.00 C ATOM 114 OD1 ASP A 142 -19.164 8.843 -5.103 1.00 0.00 O ATOM 115 OD2 ASP A 142 -18.887 8.934 -2.925 1.00 0.00 O ATOM 0 H ASP A 142 -20.308 9.957 -6.159 1.00 0.00 H new ATOM 0 HA ASP A 142 -22.269 11.210 -4.480 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -21.207 9.762 -2.735 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -21.697 8.870 -4.162 1.00 0.00 H new ATOM 120 N CYS A 143 -19.257 12.379 -4.499 1.00 0.00 N ATOM 121 CA CYS A 143 -18.390 13.423 -3.963 1.00 0.00 C ATOM 122 C CYS A 143 -17.952 14.398 -5.053 1.00 0.00 C ATOM 123 O CYS A 143 -16.953 14.174 -5.738 1.00 0.00 O ATOM 124 CB CYS A 143 -17.160 12.802 -3.296 1.00 0.00 C ATOM 125 SG CYS A 143 -16.026 14.006 -2.565 1.00 0.00 S ATOM 0 H CYS A 143 -18.918 11.947 -5.358 1.00 0.00 H new ATOM 0 HA CYS A 143 -18.961 13.979 -3.219 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -17.491 12.113 -2.519 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -16.619 12.212 -4.036 1.00 0.00 H new ATOM 0 HG CYS A 143 -15.021 13.383 -2.025 1.00 0.00 H new ATOM 130 N GLU A 144 -18.702 15.486 -5.200 1.00 0.00 N ATOM 131 CA GLU A 144 -18.387 16.504 -6.198 1.00 0.00 C ATOM 132 C GLU A 144 -17.564 17.621 -5.567 1.00 0.00 C ATOM 133 O GLU A 144 -18.079 18.702 -5.281 1.00 0.00 O ATOM 134 CB GLU A 144 -19.672 17.073 -6.802 1.00 0.00 C ATOM 135 CG GLU A 144 -20.677 17.543 -5.762 1.00 0.00 C ATOM 136 CD GLU A 144 -21.564 18.662 -6.272 1.00 0.00 C ATOM 137 OE1 GLU A 144 -21.032 19.750 -6.577 1.00 0.00 O ATOM 138 OE2 GLU A 144 -22.792 18.450 -6.367 1.00 0.00 O ATOM 0 H GLU A 144 -19.532 15.686 -4.641 1.00 0.00 H new ATOM 0 HA GLU A 144 -17.803 16.042 -6.994 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -19.418 17.909 -7.454 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -20.138 16.311 -7.427 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -21.299 16.702 -5.457 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -20.144 17.883 -4.874 1.00 0.00 H new ATOM 145 N ALA A 145 -16.282 17.346 -5.339 1.00 0.00 N ATOM 146 CA ALA A 145 -15.387 18.321 -4.727 1.00 0.00 C ATOM 147 C ALA A 145 -14.703 19.193 -5.775 1.00 0.00 C ATOM 148 O ALA A 145 -14.592 18.812 -6.938 1.00 0.00 O ATOM 149 CB ALA A 145 -14.348 17.613 -3.870 1.00 0.00 C ATOM 0 H ALA A 145 -15.841 16.456 -5.569 1.00 0.00 H new ATOM 0 HA ALA A 145 -15.988 18.975 -4.095 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -13.685 18.351 -3.418 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -14.849 17.046 -3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -13.765 16.934 -4.492 1.00 0.00 H new ATOM 155 N ASP A 146 -14.241 20.363 -5.343 1.00 0.00 N ATOM 156 CA ASP A 146 -13.557 21.294 -6.233 1.00 0.00 C ATOM 157 C ASP A 146 -12.108 21.483 -5.800 1.00 0.00 C ATOM 158 O ASP A 146 -11.790 22.398 -5.041 1.00 0.00 O ATOM 159 CB ASP A 146 -14.280 22.643 -6.248 1.00 0.00 C ATOM 160 CG ASP A 146 -14.079 23.391 -7.551 1.00 0.00 C ATOM 161 OD1 ASP A 146 -14.631 22.947 -8.581 1.00 0.00 O ATOM 162 OD2 ASP A 146 -13.372 24.420 -7.543 1.00 0.00 O ATOM 0 H ASP A 146 -14.328 20.689 -4.380 1.00 0.00 H new ATOM 0 HA ASP A 146 -13.568 20.876 -7.240 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -15.346 22.483 -6.085 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -13.919 23.255 -5.421 1.00 0.00 H new ATOM 167 N ILE A 147 -11.233 20.608 -6.283 1.00 0.00 N ATOM 168 CA ILE A 147 -9.818 20.668 -5.943 1.00 0.00 C ATOM 169 C ILE A 147 -9.024 21.447 -6.990 1.00 0.00 C ATOM 170 O ILE A 147 -7.854 21.156 -7.237 1.00 0.00 O ATOM 171 CB ILE A 147 -9.219 19.256 -5.811 1.00 0.00 C ATOM 172 CG1 ILE A 147 -9.553 18.419 -7.048 1.00 0.00 C ATOM 173 CG2 ILE A 147 -9.740 18.581 -4.551 1.00 0.00 C ATOM 174 CD1 ILE A 147 -8.392 17.587 -7.549 1.00 0.00 C ATOM 0 H ILE A 147 -11.481 19.846 -6.914 1.00 0.00 H new ATOM 0 HA ILE A 147 -9.746 21.184 -4.985 1.00 0.00 H new ATOM 0 HB ILE A 147 -8.135 19.340 -5.736 1.00 0.00 H new ATOM 0 HG12 ILE A 147 -10.388 17.759 -6.815 1.00 0.00 H new ATOM 0 HG13 ILE A 147 -9.885 19.083 -7.847 1.00 0.00 H new ATOM 0 HG21 ILE A 147 -9.310 17.583 -4.468 1.00 0.00 H new ATOM 0 HG22 ILE A 147 -9.458 19.171 -3.679 1.00 0.00 H new ATOM 0 HG23 ILE A 147 -10.826 18.505 -4.602 1.00 0.00 H new ATOM 0 HD11 ILE A 147 -8.702 17.021 -8.427 1.00 0.00 H new ATOM 0 HD12 ILE A 147 -7.563 18.242 -7.814 1.00 0.00 H new ATOM 0 HD13 ILE A 147 -8.074 16.898 -6.767 1.00 0.00 H new ATOM 186 N SER A 148 -9.665 22.440 -7.599 1.00 0.00 N ATOM 187 CA SER A 148 -9.015 23.260 -8.617 1.00 0.00 C ATOM 188 C SER A 148 -7.749 23.913 -8.069 1.00 0.00 C ATOM 189 O SER A 148 -6.826 24.227 -8.821 1.00 0.00 O ATOM 190 CB SER A 148 -9.977 24.335 -9.124 1.00 0.00 C ATOM 191 OG SER A 148 -11.196 23.763 -9.568 1.00 0.00 O ATOM 0 H SER A 148 -10.633 22.697 -7.406 1.00 0.00 H new ATOM 0 HA SER A 148 -8.735 22.609 -9.446 1.00 0.00 H new ATOM 0 HB2 SER A 148 -10.177 25.052 -8.328 1.00 0.00 H new ATOM 0 HB3 SER A 148 -9.512 24.887 -9.941 1.00 0.00 H new ATOM 0 HG SER A 148 -11.910 23.979 -8.932 1.00 0.00 H new ATOM 197 N GLU A 149 -7.711 24.118 -6.756 1.00 0.00 N ATOM 198 CA GLU A 149 -6.558 24.736 -6.111 1.00 0.00 C ATOM 199 C GLU A 149 -5.939 23.799 -5.077 1.00 0.00 C ATOM 200 O GLU A 149 -5.697 24.192 -3.935 1.00 0.00 O ATOM 201 CB GLU A 149 -6.966 26.054 -5.448 1.00 0.00 C ATOM 202 CG GLU A 149 -5.886 27.123 -5.504 1.00 0.00 C ATOM 203 CD GLU A 149 -5.737 27.728 -6.887 1.00 0.00 C ATOM 204 OE1 GLU A 149 -6.623 28.509 -7.293 1.00 0.00 O ATOM 205 OE2 GLU A 149 -4.733 27.418 -7.563 1.00 0.00 O ATOM 0 H GLU A 149 -8.466 23.865 -6.118 1.00 0.00 H new ATOM 0 HA GLU A 149 -5.810 24.939 -6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -7.866 26.432 -5.934 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -7.223 25.863 -4.406 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -6.123 27.912 -4.790 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -4.934 26.690 -5.196 1.00 0.00 H new ATOM 212 N LEU A 150 -5.685 22.560 -5.483 1.00 0.00 N ATOM 213 CA LEU A 150 -5.093 21.570 -4.591 1.00 0.00 C ATOM 214 C LEU A 150 -3.806 21.005 -5.184 1.00 0.00 C ATOM 215 O LEU A 150 -3.814 20.423 -6.269 1.00 0.00 O ATOM 216 CB LEU A 150 -6.084 20.436 -4.324 1.00 0.00 C ATOM 217 CG LEU A 150 -5.705 19.500 -3.174 1.00 0.00 C ATOM 218 CD1 LEU A 150 -5.761 20.237 -1.845 1.00 0.00 C ATOM 219 CD2 LEU A 150 -6.624 18.288 -3.153 1.00 0.00 C ATOM 0 H LEU A 150 -5.880 22.217 -6.424 1.00 0.00 H new ATOM 0 HA LEU A 150 -4.853 22.064 -3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -7.061 20.870 -4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.189 19.845 -5.234 1.00 0.00 H new ATOM 0 HG LEU A 150 -4.683 19.156 -3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -5.488 19.555 -1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -5.063 21.074 -1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -6.771 20.610 -1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -6.342 17.632 -2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -7.655 18.615 -3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -6.534 17.747 -4.095 1.00 0.00 H new ATOM 231 N LYS A 151 -2.703 21.181 -4.465 1.00 0.00 N ATOM 232 CA LYS A 151 -1.407 20.690 -4.920 1.00 0.00 C ATOM 233 C LYS A 151 -1.171 19.257 -4.449 1.00 0.00 C ATOM 234 O LYS A 151 -1.431 18.925 -3.293 1.00 0.00 O ATOM 235 CB LYS A 151 -0.288 21.598 -4.412 1.00 0.00 C ATOM 236 CG LYS A 151 -0.341 21.849 -2.914 1.00 0.00 C ATOM 237 CD LYS A 151 1.015 22.265 -2.369 1.00 0.00 C ATOM 238 CE LYS A 151 1.279 21.652 -1.003 1.00 0.00 C ATOM 239 NZ LYS A 151 2.133 22.530 -0.158 1.00 0.00 N ATOM 0 H LYS A 151 -2.680 21.660 -3.565 1.00 0.00 H new ATOM 0 HA LYS A 151 -1.405 20.699 -6.010 1.00 0.00 H new ATOM 0 HB2 LYS A 151 0.674 21.151 -4.663 1.00 0.00 H new ATOM 0 HB3 LYS A 151 -0.341 22.553 -4.934 1.00 0.00 H new ATOM 0 HG2 LYS A 151 -1.074 22.627 -2.700 1.00 0.00 H new ATOM 0 HG3 LYS A 151 -0.677 20.946 -2.405 1.00 0.00 H new ATOM 0 HD2 LYS A 151 1.797 21.958 -3.064 1.00 0.00 H new ATOM 0 HD3 LYS A 151 1.061 23.352 -2.296 1.00 0.00 H new ATOM 0 HE2 LYS A 151 0.331 21.471 -0.497 1.00 0.00 H new ATOM 0 HE3 LYS A 151 1.764 20.684 -1.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 151 2.290 22.077 0.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 151 3.048 22.682 -0.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 151 1.659 23.445 -0.018 1.00 0.00 H new ATOM 253 N GLY A 152 -0.675 18.417 -5.352 1.00 0.00 N ATOM 254 CA GLY A 152 -0.413 17.032 -5.008 1.00 0.00 C ATOM 255 C GLY A 152 -0.624 16.092 -6.179 1.00 0.00 C ATOM 256 O GLY A 152 -0.724 16.530 -7.325 1.00 0.00 O ATOM 0 H GLY A 152 -0.450 18.670 -6.314 1.00 0.00 H new ATOM 0 HA2 GLY A 152 0.613 16.938 -4.651 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -1.065 16.736 -4.186 1.00 0.00 H new ATOM 260 N TYR A 153 -0.690 14.795 -5.892 1.00 0.00 N ATOM 261 CA TYR A 153 -0.891 13.791 -6.930 1.00 0.00 C ATOM 262 C TYR A 153 -2.375 13.611 -7.238 1.00 0.00 C ATOM 263 O TYR A 153 -2.748 13.263 -8.357 1.00 0.00 O ATOM 264 CB TYR A 153 -0.283 12.455 -6.499 1.00 0.00 C ATOM 265 CG TYR A 153 -0.741 11.991 -5.134 1.00 0.00 C ATOM 266 CD1 TYR A 153 -2.054 11.592 -4.921 1.00 0.00 C ATOM 267 CD2 TYR A 153 0.140 11.953 -4.060 1.00 0.00 C ATOM 268 CE1 TYR A 153 -2.477 11.169 -3.674 1.00 0.00 C ATOM 269 CE2 TYR A 153 -0.275 11.532 -2.813 1.00 0.00 C ATOM 270 CZ TYR A 153 -1.584 11.141 -2.624 1.00 0.00 C ATOM 271 OH TYR A 153 -2.002 10.721 -1.382 1.00 0.00 O ATOM 0 H TYR A 153 -0.607 14.415 -4.949 1.00 0.00 H new ATOM 0 HA TYR A 153 -0.392 14.137 -7.835 1.00 0.00 H new ATOM 0 HB2 TYR A 153 -0.539 11.694 -7.236 1.00 0.00 H new ATOM 0 HB3 TYR A 153 0.803 12.544 -6.497 1.00 0.00 H new ATOM 0 HD1 TYR A 153 -2.756 11.612 -5.742 1.00 0.00 H new ATOM 0 HD2 TYR A 153 1.166 12.258 -4.204 1.00 0.00 H new ATOM 0 HE1 TYR A 153 -3.502 10.862 -3.524 1.00 0.00 H new ATOM 0 HE2 TYR A 153 0.422 11.509 -1.989 1.00 0.00 H new ATOM 0 HH TYR A 153 -1.251 10.760 -0.754 1.00 0.00 H new ATOM 281 N HIS A 154 -3.215 13.851 -6.236 1.00 0.00 N ATOM 282 CA HIS A 154 -4.661 13.715 -6.401 1.00 0.00 C ATOM 283 C HIS A 154 -5.223 14.805 -7.312 1.00 0.00 C ATOM 284 O HIS A 154 -6.380 14.740 -7.726 1.00 0.00 O ATOM 285 CB HIS A 154 -5.362 13.762 -5.040 1.00 0.00 C ATOM 286 CG HIS A 154 -4.836 14.821 -4.122 1.00 0.00 C ATOM 287 ND1 HIS A 154 -4.519 14.580 -2.803 1.00 0.00 N ATOM 288 CD2 HIS A 154 -4.569 16.131 -4.338 1.00 0.00 C ATOM 289 CE1 HIS A 154 -4.082 15.695 -2.245 1.00 0.00 C ATOM 290 NE2 HIS A 154 -4.102 16.650 -3.155 1.00 0.00 N ATOM 0 H HIS A 154 -2.922 14.140 -5.303 1.00 0.00 H new ATOM 0 HA HIS A 154 -4.850 12.749 -6.869 1.00 0.00 H new ATOM 0 HB2 HIS A 154 -6.428 13.928 -5.197 1.00 0.00 H new ATOM 0 HB3 HIS A 154 -5.259 12.791 -4.555 1.00 0.00 H new ATOM 0 HD1 HIS A 154 -4.608 13.680 -2.331 1.00 0.00 H new ATOM 0 HD2 HIS A 154 -4.699 16.667 -5.266 1.00 0.00 H new ATOM 0 HE1 HIS A 154 -3.763 15.806 -1.219 1.00 0.00 H new ATOM 298 N LYS A 155 -4.404 15.805 -7.624 1.00 0.00 N ATOM 299 CA LYS A 155 -4.830 16.901 -8.485 1.00 0.00 C ATOM 300 C LYS A 155 -4.867 16.462 -9.946 1.00 0.00 C ATOM 301 O LYS A 155 -5.718 16.905 -10.717 1.00 0.00 O ATOM 302 CB LYS A 155 -3.890 18.098 -8.324 1.00 0.00 C ATOM 303 CG LYS A 155 -4.273 19.295 -9.178 1.00 0.00 C ATOM 304 CD LYS A 155 -3.086 20.214 -9.414 1.00 0.00 C ATOM 305 CE LYS A 155 -3.152 20.868 -10.784 1.00 0.00 C ATOM 306 NZ LYS A 155 -2.717 22.293 -10.741 1.00 0.00 N ATOM 0 H LYS A 155 -3.442 15.878 -7.293 1.00 0.00 H new ATOM 0 HA LYS A 155 -5.836 17.195 -8.187 1.00 0.00 H new ATOM 0 HB2 LYS A 155 -3.876 18.400 -7.277 1.00 0.00 H new ATOM 0 HB3 LYS A 155 -2.876 17.790 -8.580 1.00 0.00 H new ATOM 0 HG2 LYS A 155 -4.663 18.950 -10.135 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -5.073 19.851 -8.689 1.00 0.00 H new ATOM 0 HD2 LYS A 155 -3.062 20.984 -8.643 1.00 0.00 H new ATOM 0 HD3 LYS A 155 -2.161 19.645 -9.326 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -2.520 20.316 -11.480 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -4.172 20.811 -11.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -2.777 22.703 -11.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -3.335 22.825 -10.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -1.735 22.346 -10.402 1.00 0.00 H new ATOM 320 N ARG A 156 -3.935 15.592 -10.319 1.00 0.00 N ATOM 321 CA ARG A 156 -3.856 15.092 -11.689 1.00 0.00 C ATOM 322 C ARG A 156 -4.685 13.821 -11.874 1.00 0.00 C ATOM 323 O ARG A 156 -4.365 12.985 -12.717 1.00 0.00 O ATOM 324 CB ARG A 156 -2.399 14.821 -12.067 1.00 0.00 C ATOM 325 CG ARG A 156 -2.142 14.861 -13.565 1.00 0.00 C ATOM 326 CD ARG A 156 -1.505 16.175 -13.991 1.00 0.00 C ATOM 327 NE ARG A 156 -0.244 15.968 -14.700 1.00 0.00 N ATOM 328 CZ ARG A 156 0.903 15.661 -14.098 1.00 0.00 C ATOM 329 NH1 ARG A 156 0.952 15.523 -12.779 1.00 0.00 N ATOM 330 NH2 ARG A 156 2.003 15.489 -14.819 1.00 0.00 N ATOM 0 H ARG A 156 -3.223 15.217 -9.692 1.00 0.00 H new ATOM 0 HA ARG A 156 -4.266 15.859 -12.345 1.00 0.00 H new ATOM 0 HB2 ARG A 156 -1.762 15.558 -11.578 1.00 0.00 H new ATOM 0 HB3 ARG A 156 -2.108 13.843 -11.683 1.00 0.00 H new ATOM 0 HG2 ARG A 156 -1.491 14.033 -13.845 1.00 0.00 H new ATOM 0 HG3 ARG A 156 -3.082 14.722 -14.099 1.00 0.00 H new ATOM 0 HD2 ARG A 156 -2.196 16.722 -14.633 1.00 0.00 H new ATOM 0 HD3 ARG A 156 -1.329 16.794 -13.112 1.00 0.00 H new ATOM 0 HE ARG A 156 -0.243 16.064 -15.715 1.00 0.00 H new ATOM 0 HH11 ARG A 156 0.108 15.652 -12.221 1.00 0.00 H new ATOM 0 HH12 ARG A 156 1.834 15.288 -12.323 1.00 0.00 H new ATOM 0 HH21 ARG A 156 1.969 15.592 -15.833 1.00 0.00 H new ATOM 0 HH22 ARG A 156 2.883 15.254 -14.359 1.00 0.00 H new ATOM 344 N HIS A 157 -5.745 13.677 -11.085 1.00 0.00 N ATOM 345 CA HIS A 157 -6.606 12.501 -11.177 1.00 0.00 C ATOM 346 C HIS A 157 -8.052 12.841 -10.824 1.00 0.00 C ATOM 347 O HIS A 157 -8.836 11.959 -10.473 1.00 0.00 O ATOM 348 CB HIS A 157 -6.088 11.395 -10.257 1.00 0.00 C ATOM 349 CG HIS A 157 -4.862 10.711 -10.776 1.00 0.00 C ATOM 350 ND1 HIS A 157 -4.906 9.585 -11.573 1.00 0.00 N ATOM 351 CD2 HIS A 157 -3.548 11.001 -10.613 1.00 0.00 C ATOM 352 CE1 HIS A 157 -3.677 9.212 -11.874 1.00 0.00 C ATOM 353 NE2 HIS A 157 -2.833 10.055 -11.306 1.00 0.00 N ATOM 0 H HIS A 157 -6.028 14.356 -10.378 1.00 0.00 H new ATOM 0 HA HIS A 157 -6.584 12.150 -12.209 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -5.870 11.821 -9.278 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -6.875 10.654 -10.114 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -3.139 11.823 -10.044 1.00 0.00 H new ATOM 0 HE1 HIS A 157 -3.406 8.361 -12.482 1.00 0.00 H new ATOM 0 HE2 HIS A 157 -1.816 10.011 -11.371 1.00 0.00 H new ATOM 361 N ARG A 158 -8.402 14.123 -10.922 1.00 0.00 N ATOM 362 CA ARG A 158 -9.757 14.583 -10.617 1.00 0.00 C ATOM 363 C ARG A 158 -10.288 13.945 -9.335 1.00 0.00 C ATOM 364 O ARG A 158 -11.362 13.340 -9.326 1.00 0.00 O ATOM 365 CB ARG A 158 -10.696 14.270 -11.786 1.00 0.00 C ATOM 366 CG ARG A 158 -10.151 14.708 -13.136 1.00 0.00 C ATOM 367 CD ARG A 158 -10.684 13.836 -14.260 1.00 0.00 C ATOM 368 NE ARG A 158 -11.994 14.284 -14.728 1.00 0.00 N ATOM 369 CZ ARG A 158 -12.687 13.675 -15.687 1.00 0.00 C ATOM 370 NH1 ARG A 158 -12.200 12.594 -16.285 1.00 0.00 N ATOM 371 NH2 ARG A 158 -13.870 14.149 -16.054 1.00 0.00 N ATOM 0 H ARG A 158 -7.764 14.864 -11.211 1.00 0.00 H new ATOM 0 HA ARG A 158 -9.717 15.662 -10.465 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -10.887 13.197 -11.811 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -11.654 14.760 -11.613 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -10.423 15.747 -13.320 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -9.062 14.661 -13.123 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -9.979 13.846 -15.092 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -10.756 12.804 -13.915 1.00 0.00 H new ATOM 0 HE ARG A 158 -12.401 15.112 -14.294 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -11.289 12.226 -16.010 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -12.736 12.132 -17.019 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -14.249 14.981 -15.601 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -14.401 13.682 -16.789 1.00 0.00 H new ATOM 385 N VAL A 159 -9.531 14.086 -8.252 1.00 0.00 N ATOM 386 CA VAL A 159 -9.921 13.528 -6.963 1.00 0.00 C ATOM 387 C VAL A 159 -9.405 14.394 -5.816 1.00 0.00 C ATOM 388 O VAL A 159 -8.295 14.922 -5.878 1.00 0.00 O ATOM 389 CB VAL A 159 -9.396 12.089 -6.793 1.00 0.00 C ATOM 390 CG1 VAL A 159 -7.883 12.051 -6.944 1.00 0.00 C ATOM 391 CG2 VAL A 159 -9.824 11.513 -5.450 1.00 0.00 C ATOM 0 H VAL A 159 -8.641 14.584 -8.242 1.00 0.00 H new ATOM 0 HA VAL A 159 -11.011 13.509 -6.937 1.00 0.00 H new ATOM 0 HB VAL A 159 -9.831 11.470 -7.578 1.00 0.00 H new ATOM 0 HG11 VAL A 159 -7.531 11.027 -6.821 1.00 0.00 H new ATOM 0 HG12 VAL A 159 -7.607 12.413 -7.934 1.00 0.00 H new ATOM 0 HG13 VAL A 159 -7.426 12.686 -6.185 1.00 0.00 H new ATOM 0 HG21 VAL A 159 -9.442 10.497 -5.352 1.00 0.00 H new ATOM 0 HG22 VAL A 159 -9.424 12.130 -4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 159 -10.912 11.499 -5.390 1.00 0.00 H new ATOM 401 N CYS A 160 -10.217 14.541 -4.776 1.00 0.00 N ATOM 402 CA CYS A 160 -9.838 15.349 -3.622 1.00 0.00 C ATOM 403 C CYS A 160 -9.030 14.532 -2.616 1.00 0.00 C ATOM 404 O CYS A 160 -8.998 13.304 -2.680 1.00 0.00 O ATOM 405 CB CYS A 160 -11.085 15.940 -2.955 1.00 0.00 C ATOM 406 SG CYS A 160 -12.064 14.754 -2.002 1.00 0.00 S ATOM 0 H CYS A 160 -11.140 14.113 -4.707 1.00 0.00 H new ATOM 0 HA CYS A 160 -9.206 16.165 -3.973 1.00 0.00 H new ATOM 0 HB2 CYS A 160 -10.778 16.751 -2.295 1.00 0.00 H new ATOM 0 HB3 CYS A 160 -11.719 16.379 -3.725 1.00 0.00 H new ATOM 0 HG CYS A 160 -12.222 13.666 -2.695 1.00 0.00 H new ATOM 411 N LEU A 161 -8.376 15.230 -1.693 1.00 0.00 N ATOM 412 CA LEU A 161 -7.562 14.579 -0.671 1.00 0.00 C ATOM 413 C LEU A 161 -8.398 13.623 0.174 1.00 0.00 C ATOM 414 O LEU A 161 -7.956 12.522 0.505 1.00 0.00 O ATOM 415 CB LEU A 161 -6.905 15.629 0.226 1.00 0.00 C ATOM 416 CG LEU A 161 -5.906 15.076 1.242 1.00 0.00 C ATOM 417 CD1 LEU A 161 -4.766 16.058 1.459 1.00 0.00 C ATOM 418 CD2 LEU A 161 -6.603 14.768 2.560 1.00 0.00 C ATOM 0 H LEU A 161 -8.394 16.248 -1.631 1.00 0.00 H new ATOM 0 HA LEU A 161 -6.788 14.000 -1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 161 -6.394 16.356 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 161 -7.686 16.167 0.763 1.00 0.00 H new ATOM 0 HG LEU A 161 -5.490 14.149 0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 161 -4.065 15.647 2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 161 -4.250 16.231 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 161 -5.164 17.001 1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 161 -5.877 14.375 3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 161 -7.046 15.680 2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 161 -7.385 14.028 2.393 1.00 0.00 H new ATOM 430 N ARG A 162 -9.606 14.052 0.526 1.00 0.00 N ATOM 431 CA ARG A 162 -10.504 13.234 1.339 1.00 0.00 C ATOM 432 C ARG A 162 -10.735 11.868 0.697 1.00 0.00 C ATOM 433 O ARG A 162 -10.892 10.864 1.392 1.00 0.00 O ATOM 434 CB ARG A 162 -11.840 13.951 1.540 1.00 0.00 C ATOM 435 CG ARG A 162 -12.823 13.177 2.404 1.00 0.00 C ATOM 436 CD ARG A 162 -12.774 13.631 3.855 1.00 0.00 C ATOM 437 NE ARG A 162 -13.185 15.025 4.010 1.00 0.00 N ATOM 438 CZ ARG A 162 -12.337 16.049 4.109 1.00 0.00 C ATOM 439 NH1 ARG A 162 -11.025 15.849 4.051 1.00 0.00 N ATOM 440 NH2 ARG A 162 -12.803 17.281 4.260 1.00 0.00 N ATOM 0 H ARG A 162 -9.987 14.961 0.262 1.00 0.00 H new ATOM 0 HA ARG A 162 -10.033 13.080 2.310 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -11.656 14.924 1.996 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -12.293 14.137 0.566 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -13.833 13.310 2.015 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -12.597 12.112 2.348 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -13.423 12.994 4.456 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -11.761 13.507 4.239 1.00 0.00 H new ATOM 0 HE ARG A 162 -14.184 15.227 4.045 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -10.658 14.905 3.930 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -10.385 16.639 4.128 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -13.809 17.444 4.300 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -12.155 18.065 4.336 1.00 0.00 H new ATOM 454 N CYS A 163 -10.755 11.838 -0.631 1.00 0.00 N ATOM 455 CA CYS A 163 -10.967 10.594 -1.363 1.00 0.00 C ATOM 456 C CYS A 163 -9.678 9.783 -1.441 1.00 0.00 C ATOM 457 O CYS A 163 -9.707 8.553 -1.481 1.00 0.00 O ATOM 458 CB CYS A 163 -11.484 10.887 -2.773 1.00 0.00 C ATOM 459 SG CYS A 163 -13.275 11.110 -2.869 1.00 0.00 S ATOM 0 H CYS A 163 -10.627 12.659 -1.222 1.00 0.00 H new ATOM 0 HA CYS A 163 -11.713 10.009 -0.825 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -10.996 11.786 -3.148 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -11.194 10.069 -3.432 1.00 0.00 H new ATOM 0 HG CYS A 163 -13.555 11.976 -3.797 1.00 0.00 H new ATOM 464 N ALA A 164 -8.546 10.479 -1.460 1.00 0.00 N ATOM 465 CA ALA A 164 -7.246 9.823 -1.533 1.00 0.00 C ATOM 466 C ALA A 164 -6.956 9.037 -0.259 1.00 0.00 C ATOM 467 O ALA A 164 -6.268 8.017 -0.290 1.00 0.00 O ATOM 468 CB ALA A 164 -6.151 10.850 -1.781 1.00 0.00 C ATOM 0 H ALA A 164 -8.503 11.498 -1.426 1.00 0.00 H new ATOM 0 HA ALA A 164 -7.267 9.120 -2.366 1.00 0.00 H new ATOM 0 HB1 ALA A 164 -5.185 10.347 -1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 164 -6.343 11.366 -2.722 1.00 0.00 H new ATOM 0 HB3 ALA A 164 -6.139 11.574 -0.966 1.00 0.00 H new ATOM 474 N THR A 165 -7.489 9.517 0.861 1.00 0.00 N ATOM 475 CA THR A 165 -7.287 8.859 2.146 1.00 0.00 C ATOM 476 C THR A 165 -8.476 7.971 2.503 1.00 0.00 C ATOM 477 O THR A 165 -8.335 6.998 3.244 1.00 0.00 O ATOM 478 CB THR A 165 -7.071 9.884 3.274 1.00 0.00 C ATOM 479 OG1 THR A 165 -8.078 10.900 3.214 1.00 0.00 O ATOM 480 CG2 THR A 165 -5.694 10.522 3.168 1.00 0.00 C ATOM 0 H THR A 165 -8.064 10.359 0.904 1.00 0.00 H new ATOM 0 HA THR A 165 -6.393 8.243 2.048 1.00 0.00 H new ATOM 0 HB THR A 165 -7.140 9.361 4.228 1.00 0.00 H new ATOM 0 HG1 THR A 165 -7.934 11.547 3.936 1.00 0.00 H new ATOM 0 HG21 THR A 165 -5.564 11.243 3.975 1.00 0.00 H new ATOM 0 HG22 THR A 165 -4.928 9.750 3.244 1.00 0.00 H new ATOM 0 HG23 THR A 165 -5.602 11.031 2.209 1.00 0.00 H new ATOM 488 N ALA A 166 -9.647 8.311 1.972 1.00 0.00 N ATOM 489 CA ALA A 166 -10.859 7.544 2.236 1.00 0.00 C ATOM 490 C ALA A 166 -10.672 6.074 1.871 1.00 0.00 C ATOM 491 O ALA A 166 -9.981 5.748 0.906 1.00 0.00 O ATOM 492 CB ALA A 166 -12.034 8.134 1.471 1.00 0.00 C ATOM 0 H ALA A 166 -9.782 9.113 1.356 1.00 0.00 H new ATOM 0 HA ALA A 166 -11.069 7.601 3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 166 -12.932 7.552 1.677 1.00 0.00 H new ATOM 0 HB2 ALA A 166 -12.191 9.166 1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 166 -11.822 8.108 0.402 1.00 0.00 H new ATOM 498 N SER A 167 -11.290 5.193 2.650 1.00 0.00 N ATOM 499 CA SER A 167 -11.191 3.759 2.411 1.00 0.00 C ATOM 500 C SER A 167 -11.882 3.373 1.106 1.00 0.00 C ATOM 501 O SER A 167 -11.482 2.419 0.439 1.00 0.00 O ATOM 502 CB SER A 167 -11.806 2.980 3.576 1.00 0.00 C ATOM 503 OG SER A 167 -11.344 3.477 4.820 1.00 0.00 O ATOM 0 H SER A 167 -11.865 5.448 3.453 1.00 0.00 H new ATOM 0 HA SER A 167 -10.134 3.504 2.331 1.00 0.00 H new ATOM 0 HB2 SER A 167 -12.893 3.052 3.533 1.00 0.00 H new ATOM 0 HB3 SER A 167 -11.553 1.924 3.486 1.00 0.00 H new ATOM 0 HG SER A 167 -11.752 2.965 5.549 1.00 0.00 H new ATOM 509 N PHE A 168 -12.920 4.123 0.747 1.00 0.00 N ATOM 510 CA PHE A 168 -13.666 3.858 -0.477 1.00 0.00 C ATOM 511 C PHE A 168 -14.703 4.947 -0.730 1.00 0.00 C ATOM 512 O PHE A 168 -15.066 5.694 0.178 1.00 0.00 O ATOM 513 CB PHE A 168 -14.350 2.492 -0.398 1.00 0.00 C ATOM 514 CG PHE A 168 -15.370 2.395 0.700 1.00 0.00 C ATOM 515 CD1 PHE A 168 -15.002 1.977 1.970 1.00 0.00 C ATOM 516 CD2 PHE A 168 -16.696 2.720 0.463 1.00 0.00 C ATOM 517 CE1 PHE A 168 -15.938 1.887 2.982 1.00 0.00 C ATOM 518 CE2 PHE A 168 -17.637 2.630 1.472 1.00 0.00 C ATOM 519 CZ PHE A 168 -17.257 2.213 2.733 1.00 0.00 C ATOM 0 H PHE A 168 -13.263 4.918 1.286 1.00 0.00 H new ATOM 0 HA PHE A 168 -12.961 3.855 -1.308 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -14.834 2.281 -1.352 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -13.592 1.723 -0.248 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -13.973 1.719 2.170 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -16.998 3.047 -0.521 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -15.639 1.562 3.967 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -18.668 2.885 1.275 1.00 0.00 H new ATOM 0 HZ PHE A 168 -17.990 2.142 3.523 1.00 0.00 H new ATOM 529 N VAL A 169 -15.177 5.030 -1.969 1.00 0.00 N ATOM 530 CA VAL A 169 -16.172 6.028 -2.340 1.00 0.00 C ATOM 531 C VAL A 169 -17.296 5.404 -3.161 1.00 0.00 C ATOM 532 O VAL A 169 -17.058 4.534 -3.999 1.00 0.00 O ATOM 533 CB VAL A 169 -15.542 7.179 -3.148 1.00 0.00 C ATOM 534 CG1 VAL A 169 -14.554 7.954 -2.290 1.00 0.00 C ATOM 535 CG2 VAL A 169 -14.867 6.644 -4.402 1.00 0.00 C ATOM 0 H VAL A 169 -14.888 4.418 -2.732 1.00 0.00 H new ATOM 0 HA VAL A 169 -16.580 6.427 -1.411 1.00 0.00 H new ATOM 0 HB VAL A 169 -16.335 7.861 -3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 169 -14.119 8.763 -2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 169 -15.071 8.370 -1.426 1.00 0.00 H new ATOM 0 HG13 VAL A 169 -13.763 7.285 -1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 169 -14.428 7.471 -4.960 1.00 0.00 H new ATOM 0 HG22 VAL A 169 -14.084 5.939 -4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 169 -15.605 6.138 -5.025 1.00 0.00 H new ATOM 545 N VAL A 170 -18.523 5.854 -2.914 1.00 0.00 N ATOM 546 CA VAL A 170 -19.684 5.340 -3.630 1.00 0.00 C ATOM 547 C VAL A 170 -19.828 6.007 -4.994 1.00 0.00 C ATOM 548 O VAL A 170 -20.682 6.873 -5.187 1.00 0.00 O ATOM 549 CB VAL A 170 -20.979 5.555 -2.824 1.00 0.00 C ATOM 550 CG1 VAL A 170 -22.146 4.840 -3.489 1.00 0.00 C ATOM 551 CG2 VAL A 170 -20.801 5.082 -1.391 1.00 0.00 C ATOM 0 H VAL A 170 -18.738 6.573 -2.223 1.00 0.00 H new ATOM 0 HA VAL A 170 -19.525 4.271 -3.768 1.00 0.00 H new ATOM 0 HB VAL A 170 -21.200 6.622 -2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 170 -23.052 5.003 -2.906 1.00 0.00 H new ATOM 0 HG12 VAL A 170 -22.287 5.232 -4.496 1.00 0.00 H new ATOM 0 HG13 VAL A 170 -21.936 3.772 -3.542 1.00 0.00 H new ATOM 0 HG21 VAL A 170 -21.726 5.242 -0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 170 -20.554 4.020 -1.386 1.00 0.00 H new ATOM 0 HG23 VAL A 170 -19.995 5.644 -0.920 1.00 0.00 H new ATOM 561 N LEU A 171 -18.988 5.597 -5.938 1.00 0.00 N ATOM 562 CA LEU A 171 -19.021 6.154 -7.286 1.00 0.00 C ATOM 563 C LEU A 171 -20.369 5.886 -7.951 1.00 0.00 C ATOM 564 O LEU A 171 -21.304 5.409 -7.308 1.00 0.00 O ATOM 565 CB LEU A 171 -17.890 5.564 -8.131 1.00 0.00 C ATOM 566 CG LEU A 171 -17.258 6.533 -9.135 1.00 0.00 C ATOM 567 CD1 LEU A 171 -15.821 6.848 -8.744 1.00 0.00 C ATOM 568 CD2 LEU A 171 -17.314 5.959 -10.543 1.00 0.00 C ATOM 0 H LEU A 171 -18.276 4.881 -5.795 1.00 0.00 H new ATOM 0 HA LEU A 171 -18.882 7.233 -7.213 1.00 0.00 H new ATOM 0 HB2 LEU A 171 -17.111 5.198 -7.463 1.00 0.00 H new ATOM 0 HB3 LEU A 171 -18.275 4.701 -8.675 1.00 0.00 H new ATOM 0 HG LEU A 171 -17.830 7.461 -9.120 1.00 0.00 H new ATOM 0 HD11 LEU A 171 -15.389 7.538 -9.469 1.00 0.00 H new ATOM 0 HD12 LEU A 171 -15.805 7.305 -7.755 1.00 0.00 H new ATOM 0 HD13 LEU A 171 -15.238 5.927 -8.728 1.00 0.00 H new ATOM 0 HD21 LEU A 171 -16.860 6.662 -11.241 1.00 0.00 H new ATOM 0 HD22 LEU A 171 -16.769 5.015 -10.573 1.00 0.00 H new ATOM 0 HD23 LEU A 171 -18.353 5.787 -10.825 1.00 0.00 H new ATOM 580 N ASP A 172 -20.462 6.200 -9.240 1.00 0.00 N ATOM 581 CA ASP A 172 -21.695 5.996 -9.991 1.00 0.00 C ATOM 582 C ASP A 172 -22.133 4.534 -9.946 1.00 0.00 C ATOM 583 O ASP A 172 -21.739 3.733 -10.792 1.00 0.00 O ATOM 584 CB ASP A 172 -21.512 6.440 -11.443 1.00 0.00 C ATOM 585 CG ASP A 172 -22.832 6.607 -12.168 1.00 0.00 C ATOM 586 OD1 ASP A 172 -23.668 5.682 -12.099 1.00 0.00 O ATOM 587 OD2 ASP A 172 -23.030 7.663 -12.804 1.00 0.00 O ATOM 0 H ASP A 172 -19.697 6.597 -9.786 1.00 0.00 H new ATOM 0 HA ASP A 172 -22.474 6.601 -9.526 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -20.967 7.384 -11.465 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -20.902 5.707 -11.970 1.00 0.00 H new ATOM 592 N GLY A 173 -22.952 4.198 -8.955 1.00 0.00 N ATOM 593 CA GLY A 173 -23.434 2.834 -8.817 1.00 0.00 C ATOM 594 C GLY A 173 -22.310 1.817 -8.781 1.00 0.00 C ATOM 595 O GLY A 173 -22.497 0.661 -9.161 1.00 0.00 O ATOM 0 H GLY A 173 -23.291 4.846 -8.244 1.00 0.00 H new ATOM 0 HA2 GLY A 173 -24.022 2.752 -7.903 1.00 0.00 H new ATOM 0 HA3 GLY A 173 -24.101 2.603 -9.647 1.00 0.00 H new ATOM 599 N GLU A 174 -21.139 2.247 -8.321 1.00 0.00 N ATOM 600 CA GLU A 174 -19.982 1.365 -8.237 1.00 0.00 C ATOM 601 C GLU A 174 -18.994 1.864 -7.188 1.00 0.00 C ATOM 602 O GLU A 174 -18.503 2.990 -7.269 1.00 0.00 O ATOM 603 CB GLU A 174 -19.291 1.264 -9.599 1.00 0.00 C ATOM 604 CG GLU A 174 -20.116 0.530 -10.645 1.00 0.00 C ATOM 605 CD GLU A 174 -19.274 0.019 -11.797 1.00 0.00 C ATOM 606 OE1 GLU A 174 -18.287 0.694 -12.157 1.00 0.00 O ATOM 607 OE2 GLU A 174 -19.601 -1.057 -12.338 1.00 0.00 O ATOM 0 H GLU A 174 -20.967 3.200 -8.001 1.00 0.00 H new ATOM 0 HA GLU A 174 -20.331 0.376 -7.941 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -19.070 2.268 -9.961 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -18.336 0.752 -9.476 1.00 0.00 H new ATOM 0 HG2 GLU A 174 -20.629 -0.309 -10.175 1.00 0.00 H new ATOM 0 HG3 GLU A 174 -20.885 1.199 -11.031 1.00 0.00 H new ATOM 614 N ASN A 175 -18.706 1.019 -6.205 1.00 0.00 N ATOM 615 CA ASN A 175 -17.775 1.373 -5.141 1.00 0.00 C ATOM 616 C ASN A 175 -16.331 1.210 -5.604 1.00 0.00 C ATOM 617 O ASN A 175 -15.859 0.093 -5.814 1.00 0.00 O ATOM 618 CB ASN A 175 -18.026 0.508 -3.904 1.00 0.00 C ATOM 619 CG ASN A 175 -19.330 0.854 -3.213 1.00 0.00 C ATOM 620 OD1 ASN A 175 -19.685 2.025 -3.080 1.00 0.00 O ATOM 621 ND2 ASN A 175 -20.053 -0.168 -2.767 1.00 0.00 N ATOM 0 H ASN A 175 -19.104 0.084 -6.123 1.00 0.00 H new ATOM 0 HA ASN A 175 -17.940 2.419 -4.884 1.00 0.00 H new ATOM 0 HB2 ASN A 175 -18.039 -0.542 -4.195 1.00 0.00 H new ATOM 0 HB3 ASN A 175 -17.201 0.634 -3.202 1.00 0.00 H new ATOM 0 HD21 ASN A 175 -20.940 0.003 -2.293 1.00 0.00 H new ATOM 0 HD22 ASN A 175 -19.721 -1.123 -2.899 1.00 0.00 H new ATOM 628 N LYS A 176 -15.636 2.331 -5.762 1.00 0.00 N ATOM 629 CA LYS A 176 -14.244 2.311 -6.200 1.00 0.00 C ATOM 630 C LYS A 176 -13.321 2.802 -5.091 1.00 0.00 C ATOM 631 O LYS A 176 -13.739 3.542 -4.201 1.00 0.00 O ATOM 632 CB LYS A 176 -14.068 3.176 -7.449 1.00 0.00 C ATOM 633 CG LYS A 176 -14.634 2.545 -8.712 1.00 0.00 C ATOM 634 CD LYS A 176 -13.641 2.604 -9.863 1.00 0.00 C ATOM 635 CE LYS A 176 -14.020 3.675 -10.874 1.00 0.00 C ATOM 636 NZ LYS A 176 -13.760 3.237 -12.273 1.00 0.00 N ATOM 0 H LYS A 176 -16.012 3.264 -5.594 1.00 0.00 H new ATOM 0 HA LYS A 176 -13.978 1.282 -6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 176 -14.553 4.139 -7.285 1.00 0.00 H new ATOM 0 HB3 LYS A 176 -13.006 3.375 -7.596 1.00 0.00 H new ATOM 0 HG2 LYS A 176 -14.899 1.507 -8.513 1.00 0.00 H new ATOM 0 HG3 LYS A 176 -15.552 3.060 -8.996 1.00 0.00 H new ATOM 0 HD2 LYS A 176 -12.643 2.807 -9.474 1.00 0.00 H new ATOM 0 HD3 LYS A 176 -13.599 1.634 -10.358 1.00 0.00 H new ATOM 0 HE2 LYS A 176 -15.076 3.923 -10.762 1.00 0.00 H new ATOM 0 HE3 LYS A 176 -13.456 4.584 -10.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 -14.032 3.996 -12.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 -12.748 3.025 -12.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 -14.318 2.384 -12.479 1.00 0.00 H new ATOM 650 N ARG A 177 -12.061 2.381 -5.149 1.00 0.00 N ATOM 651 CA ARG A 177 -11.077 2.777 -4.148 1.00 0.00 C ATOM 652 C ARG A 177 -9.851 3.399 -4.809 1.00 0.00 C ATOM 653 O ARG A 177 -9.358 2.899 -5.819 1.00 0.00 O ATOM 654 CB ARG A 177 -10.660 1.569 -3.308 1.00 0.00 C ATOM 655 CG ARG A 177 -10.172 1.933 -1.916 1.00 0.00 C ATOM 656 CD ARG A 177 -8.661 2.102 -1.882 1.00 0.00 C ATOM 657 NE ARG A 177 -8.216 2.782 -0.669 1.00 0.00 N ATOM 658 CZ ARG A 177 -6.947 3.095 -0.419 1.00 0.00 C ATOM 659 NH1 ARG A 177 -5.995 2.793 -1.293 1.00 0.00 N ATOM 660 NH2 ARG A 177 -6.628 3.714 0.711 1.00 0.00 N ATOM 0 H ARG A 177 -11.698 1.766 -5.878 1.00 0.00 H new ATOM 0 HA ARG A 177 -11.535 3.522 -3.498 1.00 0.00 H new ATOM 0 HB2 ARG A 177 -11.507 0.889 -3.220 1.00 0.00 H new ATOM 0 HB3 ARG A 177 -9.870 1.029 -3.831 1.00 0.00 H new ATOM 0 HG2 ARG A 177 -10.650 2.857 -1.592 1.00 0.00 H new ATOM 0 HG3 ARG A 177 -10.468 1.157 -1.211 1.00 0.00 H new ATOM 0 HD2 ARG A 177 -8.185 1.124 -1.945 1.00 0.00 H new ATOM 0 HD3 ARG A 177 -8.340 2.670 -2.755 1.00 0.00 H new ATOM 0 HE ARG A 177 -8.919 3.032 0.027 1.00 0.00 H new ATOM 0 HH11 ARG A 177 -6.234 2.318 -2.163 1.00 0.00 H new ATOM 0 HH12 ARG A 177 -5.025 3.036 -1.094 1.00 0.00 H new ATOM 0 HH21 ARG A 177 -7.355 3.949 1.387 1.00 0.00 H new ATOM 0 HH22 ARG A 177 -5.656 3.954 0.904 1.00 0.00 H new ATOM 674 N TYR A 178 -9.363 4.493 -4.230 1.00 0.00 N ATOM 675 CA TYR A 178 -8.193 5.181 -4.765 1.00 0.00 C ATOM 676 C TYR A 178 -6.977 4.263 -4.758 1.00 0.00 C ATOM 677 O TYR A 178 -6.448 3.923 -3.700 1.00 0.00 O ATOM 678 CB TYR A 178 -7.901 6.444 -3.952 1.00 0.00 C ATOM 679 CG TYR A 178 -6.782 7.285 -4.524 1.00 0.00 C ATOM 680 CD1 TYR A 178 -7.031 8.230 -5.513 1.00 0.00 C ATOM 681 CD2 TYR A 178 -5.476 7.133 -4.076 1.00 0.00 C ATOM 682 CE1 TYR A 178 -6.010 8.998 -6.037 1.00 0.00 C ATOM 683 CE2 TYR A 178 -4.449 7.898 -4.596 1.00 0.00 C ATOM 684 CZ TYR A 178 -4.721 8.829 -5.577 1.00 0.00 C ATOM 685 OH TYR A 178 -3.702 9.592 -6.097 1.00 0.00 O ATOM 0 H TYR A 178 -9.759 4.921 -3.393 1.00 0.00 H new ATOM 0 HA TYR A 178 -8.406 5.465 -5.795 1.00 0.00 H new ATOM 0 HB2 TYR A 178 -8.807 7.048 -3.896 1.00 0.00 H new ATOM 0 HB3 TYR A 178 -7.645 6.159 -2.932 1.00 0.00 H new ATOM 0 HD1 TYR A 178 -8.039 8.366 -5.877 1.00 0.00 H new ATOM 0 HD2 TYR A 178 -5.259 6.405 -3.308 1.00 0.00 H new ATOM 0 HE1 TYR A 178 -6.220 9.728 -6.804 1.00 0.00 H new ATOM 0 HE2 TYR A 178 -3.439 7.768 -4.236 1.00 0.00 H new ATOM 0 HH TYR A 178 -3.188 9.993 -5.366 1.00 0.00 H new ATOM 695 N CYS A 179 -6.540 3.861 -5.947 1.00 0.00 N ATOM 696 CA CYS A 179 -5.388 2.978 -6.079 1.00 0.00 C ATOM 697 C CYS A 179 -4.083 3.739 -5.860 1.00 0.00 C ATOM 698 O CYS A 179 -3.665 4.530 -6.706 1.00 0.00 O ATOM 699 CB CYS A 179 -5.382 2.321 -7.460 1.00 0.00 C ATOM 700 SG CYS A 179 -4.019 1.164 -7.720 1.00 0.00 S ATOM 0 H CYS A 179 -6.967 4.133 -6.833 1.00 0.00 H new ATOM 0 HA CYS A 179 -5.466 2.206 -5.314 1.00 0.00 H new ATOM 0 HB2 CYS A 179 -6.325 1.793 -7.604 1.00 0.00 H new ATOM 0 HB3 CYS A 179 -5.334 3.100 -8.221 1.00 0.00 H new ATOM 0 HG CYS A 179 -3.513 1.349 -8.903 1.00 0.00 H new ATOM 705 N GLN A 180 -3.440 3.484 -4.725 1.00 0.00 N ATOM 706 CA GLN A 180 -2.178 4.136 -4.393 1.00 0.00 C ATOM 707 C GLN A 180 -1.039 3.562 -5.230 1.00 0.00 C ATOM 708 O GLN A 180 -0.048 3.061 -4.697 1.00 0.00 O ATOM 709 CB GLN A 180 -1.871 3.970 -2.902 1.00 0.00 C ATOM 710 CG GLN A 180 -2.415 5.098 -2.039 1.00 0.00 C ATOM 711 CD GLN A 180 -1.318 5.958 -1.442 1.00 0.00 C ATOM 712 OE1 GLN A 180 -0.922 5.769 -0.291 1.00 0.00 O ATOM 713 NE2 GLN A 180 -0.823 6.911 -2.222 1.00 0.00 N ATOM 0 H GLN A 180 -3.773 2.829 -4.018 1.00 0.00 H new ATOM 0 HA GLN A 180 -2.271 5.198 -4.618 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -2.290 3.025 -2.556 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -0.791 3.909 -2.767 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -3.075 5.724 -2.640 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -3.019 4.677 -1.235 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -1.181 7.032 -3.169 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -0.085 7.523 -1.874 1.00 0.00 H new ATOM 722 N GLN A 181 -1.195 3.639 -6.544 1.00 0.00 N ATOM 723 CA GLN A 181 -0.190 3.130 -7.470 1.00 0.00 C ATOM 724 C GLN A 181 -0.405 3.698 -8.869 1.00 0.00 C ATOM 725 O GLN A 181 0.552 4.015 -9.574 1.00 0.00 O ATOM 726 CB GLN A 181 -0.234 1.600 -7.510 1.00 0.00 C ATOM 727 CG GLN A 181 0.912 0.939 -6.759 1.00 0.00 C ATOM 728 CD GLN A 181 1.531 -0.210 -7.532 1.00 0.00 C ATOM 729 OE1 GLN A 181 2.522 -0.033 -8.240 1.00 0.00 O ATOM 730 NE2 GLN A 181 0.947 -1.395 -7.400 1.00 0.00 N ATOM 0 H GLN A 181 -2.012 4.051 -6.996 1.00 0.00 H new ATOM 0 HA GLN A 181 0.791 3.447 -7.118 1.00 0.00 H new ATOM 0 HB2 GLN A 181 -1.179 1.261 -7.086 1.00 0.00 H new ATOM 0 HB3 GLN A 181 -0.214 1.271 -8.549 1.00 0.00 H new ATOM 0 HG2 GLN A 181 1.679 1.684 -6.546 1.00 0.00 H new ATOM 0 HG3 GLN A 181 0.549 0.572 -5.799 1.00 0.00 H new ATOM 0 HE21 GLN A 181 0.127 -1.496 -6.802 1.00 0.00 H new ATOM 0 HE22 GLN A 181 1.318 -2.205 -7.897 1.00 0.00 H new ATOM 739 N CYS A 182 -1.670 3.826 -9.267 1.00 0.00 N ATOM 740 CA CYS A 182 -2.007 4.359 -10.581 1.00 0.00 C ATOM 741 C CYS A 182 -2.639 5.743 -10.461 1.00 0.00 C ATOM 742 O CYS A 182 -2.571 6.550 -11.388 1.00 0.00 O ATOM 743 CB CYS A 182 -2.959 3.410 -11.313 1.00 0.00 C ATOM 744 SG CYS A 182 -2.430 1.682 -11.309 1.00 0.00 S ATOM 0 H CYS A 182 -2.476 3.568 -8.697 1.00 0.00 H new ATOM 0 HA CYS A 182 -1.085 4.449 -11.156 1.00 0.00 H new ATOM 0 HB2 CYS A 182 -3.945 3.477 -10.854 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -3.064 3.744 -12.345 1.00 0.00 H new ATOM 0 HG CYS A 182 -3.301 0.960 -11.950 1.00 0.00 H new ATOM 749 N GLY A 183 -3.259 6.011 -9.314 1.00 0.00 N ATOM 750 CA GLY A 183 -3.892 7.297 -9.098 1.00 0.00 C ATOM 751 C GLY A 183 -5.371 7.282 -9.433 1.00 0.00 C ATOM 752 O GLY A 183 -6.184 7.862 -8.713 1.00 0.00 O ATOM 0 H GLY A 183 -3.333 5.360 -8.532 1.00 0.00 H new ATOM 0 HA2 GLY A 183 -3.762 7.592 -8.057 1.00 0.00 H new ATOM 0 HA3 GLY A 183 -3.393 8.051 -9.707 1.00 0.00 H new ATOM 756 N LYS A 184 -5.721 6.615 -10.528 1.00 0.00 N ATOM 757 CA LYS A 184 -7.113 6.527 -10.958 1.00 0.00 C ATOM 758 C LYS A 184 -7.926 5.665 -9.996 1.00 0.00 C ATOM 759 O LYS A 184 -7.388 5.107 -9.039 1.00 0.00 O ATOM 760 CB LYS A 184 -7.197 5.951 -12.372 1.00 0.00 C ATOM 761 CG LYS A 184 -6.170 6.534 -13.329 1.00 0.00 C ATOM 762 CD LYS A 184 -6.812 7.003 -14.626 1.00 0.00 C ATOM 763 CE LYS A 184 -5.850 7.836 -15.455 1.00 0.00 C ATOM 764 NZ LYS A 184 -6.046 9.296 -15.235 1.00 0.00 N ATOM 0 H LYS A 184 -5.061 6.128 -11.134 1.00 0.00 H new ATOM 0 HA LYS A 184 -7.531 7.534 -10.958 1.00 0.00 H new ATOM 0 HB2 LYS A 184 -7.064 4.870 -12.323 1.00 0.00 H new ATOM 0 HB3 LYS A 184 -8.196 6.131 -12.770 1.00 0.00 H new ATOM 0 HG2 LYS A 184 -5.661 7.371 -12.851 1.00 0.00 H new ATOM 0 HG3 LYS A 184 -5.411 5.784 -13.549 1.00 0.00 H new ATOM 0 HD2 LYS A 184 -7.138 6.139 -15.205 1.00 0.00 H new ATOM 0 HD3 LYS A 184 -7.702 7.590 -14.401 1.00 0.00 H new ATOM 0 HE2 LYS A 184 -4.825 7.565 -15.202 1.00 0.00 H new ATOM 0 HE3 LYS A 184 -5.989 7.606 -16.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 184 -5.370 9.829 -15.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 184 -7.016 9.560 -15.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 184 -5.888 9.520 -14.232 1.00 0.00 H new ATOM 778 N PHE A 185 -9.225 5.561 -10.259 1.00 0.00 N ATOM 779 CA PHE A 185 -10.115 4.767 -9.419 1.00 0.00 C ATOM 780 C PHE A 185 -10.250 3.347 -9.962 1.00 0.00 C ATOM 781 O PHE A 185 -10.261 3.136 -11.175 1.00 0.00 O ATOM 782 CB PHE A 185 -11.492 5.426 -9.332 1.00 0.00 C ATOM 783 CG PHE A 185 -11.514 6.664 -8.482 1.00 0.00 C ATOM 784 CD1 PHE A 185 -10.988 6.651 -7.201 1.00 0.00 C ATOM 785 CD2 PHE A 185 -12.062 7.843 -8.964 1.00 0.00 C ATOM 786 CE1 PHE A 185 -11.007 7.788 -6.416 1.00 0.00 C ATOM 787 CE2 PHE A 185 -12.084 8.984 -8.185 1.00 0.00 C ATOM 788 CZ PHE A 185 -11.557 8.956 -6.910 1.00 0.00 C ATOM 0 H PHE A 185 -9.685 6.017 -11.047 1.00 0.00 H new ATOM 0 HA PHE A 185 -9.682 4.716 -8.420 1.00 0.00 H new ATOM 0 HB2 PHE A 185 -11.828 5.680 -10.337 1.00 0.00 H new ATOM 0 HB3 PHE A 185 -12.205 4.706 -8.930 1.00 0.00 H new ATOM 0 HD1 PHE A 185 -10.558 5.741 -6.811 1.00 0.00 H new ATOM 0 HD2 PHE A 185 -12.477 7.870 -9.961 1.00 0.00 H new ATOM 0 HE1 PHE A 185 -10.593 7.764 -5.419 1.00 0.00 H new ATOM 0 HE2 PHE A 185 -12.513 9.896 -8.573 1.00 0.00 H new ATOM 0 HZ PHE A 185 -11.574 9.846 -6.298 1.00 0.00 H new ATOM 798 N HIS A 186 -10.353 2.379 -9.058 1.00 0.00 N ATOM 799 CA HIS A 186 -10.487 0.981 -9.449 1.00 0.00 C ATOM 800 C HIS A 186 -11.707 0.343 -8.787 1.00 0.00 C ATOM 801 O HIS A 186 -12.345 0.948 -7.926 1.00 0.00 O ATOM 802 CB HIS A 186 -9.224 0.202 -9.076 1.00 0.00 C ATOM 803 CG HIS A 186 -8.045 0.530 -9.937 1.00 0.00 C ATOM 804 ND1 HIS A 186 -8.160 1.092 -11.191 1.00 0.00 N ATOM 805 CD2 HIS A 186 -6.717 0.373 -9.719 1.00 0.00 C ATOM 806 CE1 HIS A 186 -6.957 1.265 -11.708 1.00 0.00 C ATOM 807 NE2 HIS A 186 -6.064 0.837 -10.834 1.00 0.00 N ATOM 0 H HIS A 186 -10.346 2.537 -8.050 1.00 0.00 H new ATOM 0 HA HIS A 186 -10.623 0.944 -10.530 1.00 0.00 H new ATOM 0 HB2 HIS A 186 -8.973 0.409 -8.036 1.00 0.00 H new ATOM 0 HB3 HIS A 186 -9.431 -0.866 -9.148 1.00 0.00 H new ATOM 0 HD2 HIS A 186 -6.258 -0.040 -8.833 1.00 0.00 H new ATOM 0 HE1 HIS A 186 -6.741 1.685 -12.679 1.00 0.00 H new ATOM 0 HE2 HIS A 186 -5.053 0.849 -10.966 1.00 0.00 H new ATOM 815 N LEU A 187 -12.024 -0.881 -9.199 1.00 0.00 N ATOM 816 CA LEU A 187 -13.168 -1.600 -8.649 1.00 0.00 C ATOM 817 C LEU A 187 -12.812 -2.248 -7.314 1.00 0.00 C ATOM 818 O LEU A 187 -11.719 -2.789 -7.145 1.00 0.00 O ATOM 819 CB LEU A 187 -13.646 -2.667 -9.638 1.00 0.00 C ATOM 820 CG LEU A 187 -14.753 -2.216 -10.593 1.00 0.00 C ATOM 821 CD1 LEU A 187 -16.037 -1.940 -9.827 1.00 0.00 C ATOM 822 CD2 LEU A 187 -14.317 -0.981 -11.368 1.00 0.00 C ATOM 0 H LEU A 187 -11.505 -1.395 -9.911 1.00 0.00 H new ATOM 0 HA LEU A 187 -13.972 -0.884 -8.480 1.00 0.00 H new ATOM 0 HB2 LEU A 187 -12.793 -3.002 -10.228 1.00 0.00 H new ATOM 0 HB3 LEU A 187 -14.002 -3.529 -9.074 1.00 0.00 H new ATOM 0 HG LEU A 187 -14.943 -3.019 -11.305 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -16.814 -1.620 -10.522 1.00 0.00 H new ATOM 0 HD12 LEU A 187 -16.358 -2.848 -9.316 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -15.861 -1.154 -9.093 1.00 0.00 H new ATOM 0 HD21 LEU A 187 -15.116 -0.674 -12.043 1.00 0.00 H new ATOM 0 HD22 LEU A 187 -14.100 -0.172 -10.671 1.00 0.00 H new ATOM 0 HD23 LEU A 187 -13.422 -1.212 -11.947 1.00 0.00 H new ATOM 834 N LEU A 188 -13.745 -2.188 -6.368 1.00 0.00 N ATOM 835 CA LEU A 188 -13.534 -2.767 -5.048 1.00 0.00 C ATOM 836 C LEU A 188 -13.495 -4.300 -5.093 1.00 0.00 C ATOM 837 O LEU A 188 -12.675 -4.914 -4.409 1.00 0.00 O ATOM 838 CB LEU A 188 -14.619 -2.293 -4.073 1.00 0.00 C ATOM 839 CG LEU A 188 -14.116 -1.411 -2.928 1.00 0.00 C ATOM 840 CD1 LEU A 188 -13.975 0.032 -3.389 1.00 0.00 C ATOM 841 CD2 LEU A 188 -15.056 -1.502 -1.734 1.00 0.00 C ATOM 0 H LEU A 188 -14.655 -1.744 -6.493 1.00 0.00 H new ATOM 0 HA LEU A 188 -12.562 -2.423 -4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 188 -15.374 -1.741 -4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 188 -15.113 -3.167 -3.649 1.00 0.00 H new ATOM 0 HG LEU A 188 -13.134 -1.770 -2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 188 -13.616 0.645 -2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 188 -13.264 0.083 -4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 188 -14.944 0.404 -3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 188 -14.684 -0.869 -0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 188 -16.051 -1.168 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 188 -15.107 -2.535 -1.389 1.00 0.00 H new ATOM 853 N PRO A 189 -14.373 -4.953 -5.887 1.00 0.00 N ATOM 854 CA PRO A 189 -14.392 -6.419 -5.975 1.00 0.00 C ATOM 855 C PRO A 189 -13.124 -6.984 -6.606 1.00 0.00 C ATOM 856 O PRO A 189 -12.865 -8.185 -6.529 1.00 0.00 O ATOM 857 CB PRO A 189 -15.608 -6.717 -6.857 1.00 0.00 C ATOM 858 CG PRO A 189 -15.823 -5.473 -7.644 1.00 0.00 C ATOM 859 CD PRO A 189 -15.403 -4.339 -6.751 1.00 0.00 C ATOM 0 HA PRO A 189 -14.446 -6.879 -4.988 1.00 0.00 H new ATOM 0 HB2 PRO A 189 -15.423 -7.570 -7.509 1.00 0.00 H new ATOM 0 HB3 PRO A 189 -16.483 -6.960 -6.255 1.00 0.00 H new ATOM 0 HG2 PRO A 189 -15.235 -5.485 -8.562 1.00 0.00 H new ATOM 0 HG3 PRO A 189 -16.868 -5.372 -7.937 1.00 0.00 H new ATOM 0 HD2 PRO A 189 -15.002 -3.503 -7.324 1.00 0.00 H new ATOM 0 HD3 PRO A 189 -16.240 -3.954 -6.168 1.00 0.00 H new ATOM 867 N ASP A 190 -12.331 -6.114 -7.226 1.00 0.00 N ATOM 868 CA ASP A 190 -11.089 -6.533 -7.864 1.00 0.00 C ATOM 869 C ASP A 190 -9.896 -6.264 -6.952 1.00 0.00 C ATOM 870 O ASP A 190 -8.788 -6.003 -7.420 1.00 0.00 O ATOM 871 CB ASP A 190 -10.904 -5.807 -9.199 1.00 0.00 C ATOM 872 CG ASP A 190 -10.980 -6.748 -10.385 1.00 0.00 C ATOM 873 OD1 ASP A 190 -11.939 -7.547 -10.449 1.00 0.00 O ATOM 874 OD2 ASP A 190 -10.080 -6.688 -11.249 1.00 0.00 O ATOM 0 H ASP A 190 -12.527 -5.116 -7.299 1.00 0.00 H new ATOM 0 HA ASP A 190 -11.147 -7.605 -8.051 1.00 0.00 H new ATOM 0 HB2 ASP A 190 -11.669 -5.037 -9.300 1.00 0.00 H new ATOM 0 HB3 ASP A 190 -9.939 -5.300 -9.203 1.00 0.00 H new