USER MOD reduce.3.24.130724 H: found=0, std=0, add=346, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 347 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 220 THR OG1 : rot -77:sc= -2.59! USER MOD Set 1.2: A 222 HIS : no HE2:sc= -11.1! C(o=-14!,f=-16!) USER MOD Single : A 199 SER OG : rot -72:sc= 0.145 USER MOD Single : A 206 ASN : amide:sc= -7.25! C(o=-7.3!,f=-14!) USER MOD Single : A 210 THR OG1 : rot -2:sc= 0.391 USER MOD Single : A 212 THR OG1 : rot -130:sc= -2! USER MOD Single : A 223 TYR OH : rot 18:sc= -2.06! USER MOD Single : A 226 ASN : amide:sc= -0.22 K(o=-0.22,f=-2.8!) USER MOD Single : A 231 TYR OH : rot 180:sc= 0 USER MOD Single : A 232 HIS : no HD1:sc= -2.45! X(o=-2.5!,f=-2.1) USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 MET CE :methyl -149:sc= -0.403 (180deg=-2.23!) USER MOD Single : A 235 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 237 GLN : amide:sc= -0.0182 K(o=-0.018,f=-1.1) USER MOD Single : A 238 ASN : amide:sc= -0.0743 K(o=-0.074,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 198 2.578 -18.168 -8.449 1.00 1.00 N ATOM 2 CA GLY A 198 1.601 -18.377 -7.344 1.00 1.00 C ATOM 3 C GLY A 198 0.968 -17.039 -6.962 1.00 1.00 C ATOM 4 O GLY A 198 -0.198 -16.800 -7.206 1.00 1.00 O ATOM 0 HA2 GLY A 198 0.829 -19.081 -7.655 1.00 1.00 H new ATOM 0 HA3 GLY A 198 2.101 -18.814 -6.480 1.00 1.00 H new ATOM 10 N SER A 199 1.727 -16.161 -6.361 1.00 1.00 N ATOM 11 CA SER A 199 1.163 -14.838 -5.964 1.00 1.00 C ATOM 12 C SER A 199 -0.185 -15.030 -5.266 1.00 1.00 C ATOM 13 O SER A 199 -1.120 -14.284 -5.480 1.00 1.00 O ATOM 14 CB SER A 199 0.984 -14.074 -7.275 1.00 1.00 C ATOM 15 OG SER A 199 2.153 -13.310 -7.538 1.00 1.00 O ATOM 0 H SER A 199 2.710 -16.302 -6.129 1.00 1.00 H new ATOM 0 HA SER A 199 1.810 -14.304 -5.268 1.00 1.00 H new ATOM 0 HB2 SER A 199 0.800 -14.771 -8.093 1.00 1.00 H new ATOM 0 HB3 SER A 199 0.115 -13.419 -7.212 1.00 1.00 H new ATOM 0 HG SER A 199 2.199 -12.556 -6.913 1.00 1.00 H new ATOM 21 N GLU A 200 -0.292 -16.028 -4.430 1.00 1.00 N ATOM 22 CA GLU A 200 -1.579 -16.271 -3.719 1.00 1.00 C ATOM 23 C GLU A 200 -2.150 -14.957 -3.184 1.00 1.00 C ATOM 24 O GLU A 200 -3.171 -14.480 -3.639 1.00 1.00 O ATOM 25 CB GLU A 200 -1.224 -17.212 -2.566 1.00 1.00 C ATOM 26 CG GLU A 200 -2.470 -17.985 -2.134 1.00 1.00 C ATOM 27 CD GLU A 200 -3.063 -17.342 -0.879 1.00 1.00 C ATOM 28 OE1 GLU A 200 -2.684 -16.222 -0.577 1.00 1.00 O ATOM 29 OE2 GLU A 200 -3.883 -17.980 -0.241 1.00 1.00 O ATOM 0 H GLU A 200 0.456 -16.685 -4.209 1.00 1.00 H new ATOM 0 HA GLU A 200 -2.337 -16.698 -4.376 1.00 1.00 H new ATOM 0 HB2 GLU A 200 -0.443 -17.906 -2.877 1.00 1.00 H new ATOM 0 HB3 GLU A 200 -0.828 -16.641 -1.726 1.00 1.00 H new ATOM 0 HG2 GLU A 200 -3.207 -17.986 -2.937 1.00 1.00 H new ATOM 0 HG3 GLU A 200 -2.214 -19.026 -1.935 1.00 1.00 H new ATOM 36 N ALA A 201 -1.499 -14.369 -2.220 1.00 1.00 N ATOM 37 CA ALA A 201 -2.004 -13.085 -1.651 1.00 1.00 C ATOM 38 C ALA A 201 -1.648 -11.918 -2.576 1.00 1.00 C ATOM 39 O ALA A 201 -0.985 -12.087 -3.579 1.00 1.00 O ATOM 40 CB ALA A 201 -1.290 -12.940 -0.307 1.00 1.00 C ATOM 0 H ALA A 201 -0.639 -14.721 -1.800 1.00 1.00 H new ATOM 0 HA ALA A 201 -3.088 -13.082 -1.540 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -1.609 -12.016 0.176 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -1.539 -13.788 0.331 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -0.212 -12.912 -0.469 1.00 1.00 H new ATOM 46 N ARG A 202 -2.084 -10.732 -2.243 1.00 1.00 N ATOM 47 CA ARG A 202 -1.772 -9.553 -3.100 1.00 1.00 C ATOM 48 C ARG A 202 -0.335 -9.082 -2.853 1.00 1.00 C ATOM 49 O ARG A 202 0.338 -9.554 -1.959 1.00 1.00 O ATOM 50 CB ARG A 202 -2.766 -8.474 -2.667 1.00 1.00 C ATOM 51 CG ARG A 202 -3.882 -8.362 -3.706 1.00 1.00 C ATOM 52 CD ARG A 202 -4.871 -9.515 -3.519 1.00 1.00 C ATOM 53 NE ARG A 202 -5.586 -9.203 -2.250 1.00 1.00 N ATOM 54 CZ ARG A 202 -6.237 -10.142 -1.621 1.00 1.00 C ATOM 55 NH1 ARG A 202 -7.272 -10.706 -2.179 1.00 1.00 N ATOM 56 NH2 ARG A 202 -5.850 -10.518 -0.432 1.00 1.00 N ATOM 0 H ARG A 202 -2.643 -10.530 -1.414 1.00 1.00 H new ATOM 0 HA ARG A 202 -1.854 -9.784 -4.162 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -3.186 -8.722 -1.692 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -2.256 -7.516 -2.561 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -4.397 -7.407 -3.601 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -3.462 -8.389 -4.711 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -5.564 -9.581 -4.357 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -4.354 -10.473 -3.456 1.00 1.00 H new ATOM 0 HE ARG A 202 -5.566 -8.255 -1.873 1.00 1.00 H new ATOM 0 HH11 ARG A 202 -7.573 -10.413 -3.108 1.00 1.00 H new ATOM 0 HH12 ARG A 202 -7.780 -11.440 -1.686 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -5.040 -10.078 0.004 1.00 1.00 H new ATOM 0 HH22 ARG A 202 -6.358 -11.252 0.061 1.00 1.00 H new ATOM 70 N GLU A 203 0.136 -8.152 -3.638 1.00 1.00 N ATOM 71 CA GLU A 203 1.524 -7.644 -3.447 1.00 1.00 C ATOM 72 C GLU A 203 1.509 -6.120 -3.304 1.00 1.00 C ATOM 73 O GLU A 203 1.152 -5.403 -4.218 1.00 1.00 O ATOM 74 CB GLU A 203 2.280 -8.063 -4.709 1.00 1.00 C ATOM 75 CG GLU A 203 3.347 -9.095 -4.342 1.00 1.00 C ATOM 76 CD GLU A 203 3.354 -10.218 -5.382 1.00 1.00 C ATOM 77 OE1 GLU A 203 2.316 -10.832 -5.568 1.00 1.00 O ATOM 78 OE2 GLU A 203 4.396 -10.444 -5.974 1.00 1.00 O ATOM 0 H GLU A 203 -0.381 -7.721 -4.404 1.00 1.00 H new ATOM 0 HA GLU A 203 1.992 -8.043 -2.547 1.00 1.00 H new ATOM 0 HB2 GLU A 203 1.588 -8.483 -5.439 1.00 1.00 H new ATOM 0 HB3 GLU A 203 2.744 -7.193 -5.174 1.00 1.00 H new ATOM 0 HG2 GLU A 203 4.327 -8.620 -4.298 1.00 1.00 H new ATOM 0 HG3 GLU A 203 3.147 -9.504 -3.352 1.00 1.00 H new ATOM 85 N CYS A 204 1.885 -5.620 -2.158 1.00 1.00 N ATOM 86 CA CYS A 204 1.887 -4.149 -1.943 1.00 1.00 C ATOM 87 C CYS A 204 2.542 -3.430 -3.122 1.00 1.00 C ATOM 88 O CYS A 204 3.723 -3.569 -3.372 1.00 1.00 O ATOM 89 CB CYS A 204 2.712 -3.947 -0.681 1.00 1.00 C ATOM 90 SG CYS A 204 2.588 -2.231 -0.135 1.00 1.00 S ATOM 0 H CYS A 204 2.192 -6.173 -1.358 1.00 1.00 H new ATOM 0 HA CYS A 204 0.878 -3.747 -1.853 1.00 1.00 H new ATOM 0 HB2 CYS A 204 2.359 -4.614 0.105 1.00 1.00 H new ATOM 0 HB3 CYS A 204 3.754 -4.203 -0.872 1.00 1.00 H new ATOM 95 N VAL A 205 1.785 -2.652 -3.838 1.00 1.00 N ATOM 96 CA VAL A 205 2.355 -1.907 -4.994 1.00 1.00 C ATOM 97 C VAL A 205 3.618 -1.142 -4.572 1.00 1.00 C ATOM 98 O VAL A 205 4.395 -0.711 -5.401 1.00 1.00 O ATOM 99 CB VAL A 205 1.254 -0.929 -5.403 1.00 1.00 C ATOM 100 CG1 VAL A 205 0.958 0.020 -4.241 1.00 1.00 C ATOM 101 CG2 VAL A 205 1.715 -0.118 -6.614 1.00 1.00 C ATOM 0 H VAL A 205 0.790 -2.498 -3.673 1.00 1.00 H new ATOM 0 HA VAL A 205 2.647 -2.570 -5.809 1.00 1.00 H new ATOM 0 HB VAL A 205 0.352 -1.485 -5.659 1.00 1.00 H new ATOM 0 HG11 VAL A 205 0.173 0.718 -4.532 1.00 1.00 H new ATOM 0 HG12 VAL A 205 0.629 -0.556 -3.376 1.00 1.00 H new ATOM 0 HG13 VAL A 205 1.861 0.575 -3.986 1.00 1.00 H new ATOM 0 HG21 VAL A 205 0.930 0.579 -6.905 1.00 1.00 H new ATOM 0 HG22 VAL A 205 2.617 0.438 -6.358 1.00 1.00 H new ATOM 0 HG23 VAL A 205 1.928 -0.792 -7.444 1.00 1.00 H new ATOM 111 N ASN A 206 3.815 -0.943 -3.294 1.00 1.00 N ATOM 112 CA ASN A 206 5.011 -0.175 -2.844 1.00 1.00 C ATOM 113 C ASN A 206 6.122 -1.086 -2.300 1.00 1.00 C ATOM 114 O ASN A 206 7.253 -1.005 -2.736 1.00 1.00 O ATOM 115 CB ASN A 206 4.490 0.742 -1.738 1.00 1.00 C ATOM 116 CG ASN A 206 4.009 2.056 -2.356 1.00 1.00 C ATOM 117 OD1 ASN A 206 2.947 2.545 -2.022 1.00 1.00 O ATOM 118 ND2 ASN A 206 4.750 2.654 -3.247 1.00 1.00 N ATOM 0 H ASN A 206 3.204 -1.277 -2.549 1.00 1.00 H new ATOM 0 HA ASN A 206 5.461 0.369 -3.675 1.00 1.00 H new ATOM 0 HB2 ASN A 206 3.673 0.258 -1.203 1.00 1.00 H new ATOM 0 HB3 ASN A 206 5.277 0.936 -1.010 1.00 1.00 H new ATOM 0 HD21 ASN A 206 4.439 3.532 -3.663 1.00 1.00 H new ATOM 0 HD22 ASN A 206 5.641 2.244 -3.527 1.00 1.00 H new ATOM 125 N CYS A 207 5.842 -1.926 -1.334 1.00 1.00 N ATOM 126 CA CYS A 207 6.930 -2.774 -0.780 1.00 1.00 C ATOM 127 C CYS A 207 6.693 -4.272 -1.046 1.00 1.00 C ATOM 128 O CYS A 207 7.455 -5.111 -0.611 1.00 1.00 O ATOM 129 CB CYS A 207 6.948 -2.430 0.714 1.00 1.00 C ATOM 130 SG CYS A 207 5.704 -3.381 1.619 1.00 1.00 S ATOM 0 H CYS A 207 4.922 -2.057 -0.914 1.00 1.00 H new ATOM 0 HA CYS A 207 7.893 -2.578 -1.252 1.00 1.00 H new ATOM 0 HB2 CYS A 207 7.936 -2.635 1.125 1.00 1.00 H new ATOM 0 HB3 CYS A 207 6.762 -1.364 0.847 1.00 1.00 H new ATOM 135 N GLY A 208 5.665 -4.616 -1.780 1.00 1.00 N ATOM 136 CA GLY A 208 5.413 -6.058 -2.097 1.00 1.00 C ATOM 137 C GLY A 208 4.895 -6.795 -0.862 1.00 1.00 C ATOM 138 O GLY A 208 4.693 -7.993 -0.880 1.00 1.00 O ATOM 0 H GLY A 208 4.989 -3.962 -2.174 1.00 1.00 H new ATOM 0 HA2 GLY A 208 4.687 -6.137 -2.906 1.00 1.00 H new ATOM 0 HA3 GLY A 208 6.333 -6.526 -2.448 1.00 1.00 H new ATOM 142 N ALA A 209 4.676 -6.088 0.201 1.00 1.00 N ATOM 143 CA ALA A 209 4.166 -6.731 1.442 1.00 1.00 C ATOM 144 C ALA A 209 3.000 -7.663 1.112 1.00 1.00 C ATOM 145 O ALA A 209 1.930 -7.221 0.752 1.00 1.00 O ATOM 146 CB ALA A 209 3.685 -5.565 2.302 1.00 1.00 C ATOM 0 H ALA A 209 4.829 -5.082 0.269 1.00 1.00 H new ATOM 0 HA ALA A 209 4.923 -7.335 1.943 1.00 1.00 H new ATOM 0 HB1 ALA A 209 3.290 -5.946 3.244 1.00 1.00 H new ATOM 0 HB2 ALA A 209 4.519 -4.894 2.504 1.00 1.00 H new ATOM 0 HB3 ALA A 209 2.902 -5.022 1.773 1.00 1.00 H new ATOM 152 N THR A 210 3.194 -8.947 1.236 1.00 1.00 N ATOM 153 CA THR A 210 2.088 -9.895 0.928 1.00 1.00 C ATOM 154 C THR A 210 1.485 -10.440 2.224 1.00 1.00 C ATOM 155 O THR A 210 0.389 -10.966 2.240 1.00 1.00 O ATOM 156 CB THR A 210 2.740 -11.021 0.123 1.00 1.00 C ATOM 157 OG1 THR A 210 3.606 -10.461 -0.855 1.00 1.00 O ATOM 158 CG2 THR A 210 1.653 -11.846 -0.566 1.00 1.00 C ATOM 0 H THR A 210 4.068 -9.379 1.536 1.00 1.00 H new ATOM 0 HA THR A 210 1.278 -9.419 0.376 1.00 1.00 H new ATOM 0 HB THR A 210 3.315 -11.664 0.790 1.00 1.00 H new ATOM 0 HG1 THR A 210 3.562 -9.483 -0.809 1.00 1.00 H new ATOM 0 HG21 THR A 210 2.115 -12.649 -1.140 1.00 1.00 H new ATOM 0 HG22 THR A 210 0.989 -12.273 0.186 1.00 1.00 H new ATOM 0 HG23 THR A 210 1.079 -11.205 -1.235 1.00 1.00 H new ATOM 166 N ALA A 211 2.188 -10.310 3.316 1.00 1.00 N ATOM 167 CA ALA A 211 1.649 -10.812 4.612 1.00 1.00 C ATOM 168 C ALA A 211 0.923 -9.682 5.345 1.00 1.00 C ATOM 169 O ALA A 211 1.143 -9.446 6.517 1.00 1.00 O ATOM 170 CB ALA A 211 2.876 -11.267 5.403 1.00 1.00 C ATOM 0 H ALA A 211 3.111 -9.879 3.367 1.00 1.00 H new ATOM 0 HA ALA A 211 0.931 -11.622 4.480 1.00 1.00 H new ATOM 0 HB1 ALA A 211 2.561 -11.651 6.373 1.00 1.00 H new ATOM 0 HB2 ALA A 211 3.393 -12.052 4.852 1.00 1.00 H new ATOM 0 HB3 ALA A 211 3.549 -10.422 5.548 1.00 1.00 H new ATOM 176 N THR A 212 0.059 -8.979 4.663 1.00 1.00 N ATOM 177 CA THR A 212 -0.681 -7.861 5.314 1.00 1.00 C ATOM 178 C THR A 212 -2.121 -8.287 5.620 1.00 1.00 C ATOM 179 O THR A 212 -2.669 -9.137 4.950 1.00 1.00 O ATOM 180 CB THR A 212 -0.666 -6.728 4.287 1.00 1.00 C ATOM 181 OG1 THR A 212 -1.187 -5.545 4.876 1.00 1.00 O ATOM 182 CG2 THR A 212 -1.524 -7.119 3.083 1.00 1.00 C ATOM 0 H THR A 212 -0.166 -9.132 3.680 1.00 1.00 H new ATOM 0 HA THR A 212 -0.230 -7.562 6.260 1.00 1.00 H new ATOM 0 HB THR A 212 0.358 -6.549 3.960 1.00 1.00 H new ATOM 0 HG1 THR A 212 -1.873 -5.162 4.290 1.00 1.00 H new ATOM 0 HG21 THR A 212 -1.513 -6.311 2.351 1.00 1.00 H new ATOM 0 HG22 THR A 212 -1.123 -8.025 2.629 1.00 1.00 H new ATOM 0 HG23 THR A 212 -2.548 -7.299 3.409 1.00 1.00 H new ATOM 190 N PRO A 213 -2.684 -7.673 6.624 1.00 1.00 N ATOM 191 CA PRO A 213 -4.079 -7.987 7.023 1.00 1.00 C ATOM 192 C PRO A 213 -5.069 -7.450 5.982 1.00 1.00 C ATOM 193 O PRO A 213 -5.501 -8.162 5.100 1.00 1.00 O ATOM 194 CB PRO A 213 -4.238 -7.274 8.363 1.00 1.00 C ATOM 195 CG PRO A 213 -3.227 -6.171 8.341 1.00 1.00 C ATOM 196 CD PRO A 213 -2.085 -6.639 7.475 1.00 1.00 C ATOM 0 HA PRO A 213 -4.277 -9.057 7.095 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -5.248 -6.881 8.483 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -4.060 -7.955 9.195 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -3.664 -5.255 7.942 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -2.880 -5.946 9.349 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -1.674 -5.823 6.881 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -1.268 -7.040 8.075 1.00 1.00 H new ATOM 204 N LEU A 214 -5.434 -6.200 6.081 1.00 1.00 N ATOM 205 CA LEU A 214 -6.398 -5.626 5.097 1.00 1.00 C ATOM 206 C LEU A 214 -5.649 -4.899 3.975 1.00 1.00 C ATOM 207 O LEU A 214 -4.709 -4.167 4.216 1.00 1.00 O ATOM 208 CB LEU A 214 -7.242 -4.642 5.904 1.00 1.00 C ATOM 209 CG LEU A 214 -8.274 -3.982 4.988 1.00 1.00 C ATOM 210 CD1 LEU A 214 -9.436 -4.947 4.754 1.00 1.00 C ATOM 211 CD2 LEU A 214 -8.798 -2.704 5.648 1.00 1.00 C ATOM 0 H LEU A 214 -5.108 -5.553 6.798 1.00 1.00 H new ATOM 0 HA LEU A 214 -7.007 -6.394 4.620 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -7.744 -5.162 6.720 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -6.603 -3.883 6.355 1.00 1.00 H new ATOM 0 HG LEU A 214 -7.809 -3.734 4.034 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -10.172 -4.478 4.101 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -9.064 -5.858 4.285 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -9.902 -5.194 5.708 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -9.534 -2.233 4.996 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -9.264 -2.952 6.602 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -7.970 -2.016 5.817 1.00 1.00 H new ATOM 223 N TRP A 215 -6.061 -5.092 2.751 1.00 1.00 N ATOM 224 CA TRP A 215 -5.377 -4.411 1.614 1.00 1.00 C ATOM 225 C TRP A 215 -6.103 -3.108 1.266 1.00 1.00 C ATOM 226 O TRP A 215 -5.564 -2.027 1.408 1.00 1.00 O ATOM 227 CB TRP A 215 -5.475 -5.394 0.447 1.00 1.00 C ATOM 228 CG TRP A 215 -4.519 -6.525 0.654 1.00 1.00 C ATOM 229 CD1 TRP A 215 -4.800 -7.663 1.329 1.00 1.00 C ATOM 230 CD2 TRP A 215 -3.142 -6.651 0.193 1.00 1.00 C ATOM 231 NE1 TRP A 215 -3.684 -8.481 1.312 1.00 1.00 N ATOM 232 CE2 TRP A 215 -2.637 -7.902 0.624 1.00 1.00 C ATOM 233 CE3 TRP A 215 -2.290 -5.813 -0.550 1.00 1.00 C ATOM 234 CZ2 TRP A 215 -1.334 -8.304 0.330 1.00 1.00 C ATOM 235 CZ3 TRP A 215 -0.979 -6.217 -0.848 1.00 1.00 C ATOM 236 CH2 TRP A 215 -0.501 -7.459 -0.409 1.00 1.00 C ATOM 0 H TRP A 215 -6.843 -5.693 2.489 1.00 1.00 H new ATOM 0 HA TRP A 215 -4.345 -4.153 1.850 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -6.493 -5.776 0.366 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -5.251 -4.884 -0.490 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -5.742 -7.895 1.804 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -3.641 -9.399 1.754 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -2.647 -4.853 -0.893 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -0.971 -9.262 0.671 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -0.334 -5.566 -1.420 1.00 1.00 H new ATOM 0 HH2 TRP A 215 0.509 -7.763 -0.641 1.00 1.00 H new ATOM 247 N ARG A 216 -7.323 -3.205 0.809 1.00 1.00 N ATOM 248 CA ARG A 216 -8.091 -1.977 0.447 1.00 1.00 C ATOM 249 C ARG A 216 -7.358 -1.203 -0.654 1.00 1.00 C ATOM 250 O ARG A 216 -6.178 -0.936 -0.558 1.00 1.00 O ATOM 251 CB ARG A 216 -8.158 -1.153 1.733 1.00 1.00 C ATOM 252 CG ARG A 216 -9.458 -1.472 2.475 1.00 1.00 C ATOM 253 CD ARG A 216 -10.618 -0.714 1.824 1.00 1.00 C ATOM 254 NE ARG A 216 -11.088 0.239 2.867 1.00 1.00 N ATOM 255 CZ ARG A 216 -12.283 0.758 2.784 1.00 1.00 C ATOM 256 NH1 ARG A 216 -13.318 -0.011 2.581 1.00 1.00 N ATOM 257 NH2 ARG A 216 -12.442 2.049 2.903 1.00 1.00 N ATOM 0 H ARG A 216 -7.822 -4.084 0.670 1.00 1.00 H new ATOM 0 HA ARG A 216 -9.085 -2.209 0.064 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -7.300 -1.378 2.367 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -8.112 -0.089 1.499 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -9.650 -2.545 2.448 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -9.369 -1.190 3.524 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -10.292 -0.188 0.927 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -11.415 -1.394 1.523 1.00 1.00 H new ATOM 0 HE ARG A 216 -10.477 0.486 3.645 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -13.194 -1.019 2.487 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -14.251 0.396 2.516 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -11.633 2.650 3.061 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -13.375 2.456 2.838 1.00 1.00 H new ATOM 271 N ARG A 217 -8.049 -0.843 -1.702 1.00 1.00 N ATOM 272 CA ARG A 217 -7.391 -0.091 -2.806 1.00 1.00 C ATOM 273 C ARG A 217 -7.479 1.415 -2.554 1.00 1.00 C ATOM 274 O ARG A 217 -8.238 1.874 -1.722 1.00 1.00 O ATOM 275 CB ARG A 217 -8.177 -0.467 -4.060 1.00 1.00 C ATOM 276 CG ARG A 217 -8.414 -1.977 -4.089 1.00 1.00 C ATOM 277 CD ARG A 217 -8.741 -2.416 -5.519 1.00 1.00 C ATOM 278 NE ARG A 217 -9.711 -1.403 -6.023 1.00 1.00 N ATOM 279 CZ ARG A 217 -9.467 -0.761 -7.132 1.00 1.00 C ATOM 280 NH1 ARG A 217 -8.937 -1.388 -8.144 1.00 1.00 N ATOM 281 NH2 ARG A 217 -9.753 0.509 -7.228 1.00 1.00 N ATOM 0 H ARG A 217 -9.041 -1.038 -1.840 1.00 1.00 H new ATOM 0 HA ARG A 217 -6.332 -0.335 -2.895 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -9.131 0.060 -4.074 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -7.629 -0.158 -4.950 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -7.529 -2.502 -3.730 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -9.234 -2.240 -3.420 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -7.844 -2.445 -6.138 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -9.172 -3.417 -5.535 1.00 1.00 H new ATOM 0 HE ARG A 217 -10.566 -1.212 -5.501 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -8.713 -2.380 -8.069 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -8.746 -0.886 -9.011 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -10.167 1.000 -6.436 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -9.562 1.011 -8.095 1.00 1.00 H new ATOM 295 N ASP A 218 -6.703 2.187 -3.263 1.00 1.00 N ATOM 296 CA ASP A 218 -6.727 3.662 -3.069 1.00 1.00 C ATOM 297 C ASP A 218 -7.110 4.360 -4.379 1.00 1.00 C ATOM 298 O ASP A 218 -7.692 3.766 -5.264 1.00 1.00 O ATOM 299 CB ASP A 218 -5.296 4.017 -2.670 1.00 1.00 C ATOM 300 CG ASP A 218 -4.310 3.290 -3.586 1.00 1.00 C ATOM 301 OD1 ASP A 218 -4.271 2.072 -3.534 1.00 1.00 O ATOM 302 OD2 ASP A 218 -3.615 3.966 -4.328 1.00 1.00 O ATOM 0 H ASP A 218 -6.049 1.856 -3.973 1.00 1.00 H new ATOM 0 HA ASP A 218 -7.454 3.976 -2.320 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -5.145 5.094 -2.740 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -5.117 3.737 -1.632 1.00 1.00 H new ATOM 307 N ARG A 219 -6.789 5.620 -4.504 1.00 1.00 N ATOM 308 CA ARG A 219 -7.132 6.360 -5.752 1.00 1.00 C ATOM 309 C ARG A 219 -6.600 5.618 -6.979 1.00 1.00 C ATOM 310 O ARG A 219 -7.254 5.537 -7.999 1.00 1.00 O ATOM 311 CB ARG A 219 -6.432 7.710 -5.614 1.00 1.00 C ATOM 312 CG ARG A 219 -7.477 8.817 -5.480 1.00 1.00 C ATOM 313 CD ARG A 219 -6.920 9.946 -4.613 1.00 1.00 C ATOM 314 NE ARG A 219 -6.973 11.156 -5.480 1.00 1.00 N ATOM 315 CZ ARG A 219 -7.619 12.218 -5.081 1.00 1.00 C ATOM 316 NH1 ARG A 219 -8.695 12.092 -4.353 1.00 1.00 N ATOM 317 NH2 ARG A 219 -7.190 13.405 -5.410 1.00 1.00 N ATOM 0 H ARG A 219 -6.303 6.169 -3.795 1.00 1.00 H new ATOM 0 HA ARG A 219 -8.209 6.461 -5.882 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -5.779 7.705 -4.741 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -5.801 7.895 -6.483 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -7.745 9.199 -6.465 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -8.388 8.419 -5.034 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -7.515 10.081 -3.710 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -5.900 9.733 -4.294 1.00 1.00 H new ATOM 0 HE ARG A 219 -6.504 11.155 -6.386 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -9.031 11.164 -4.096 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -9.200 12.922 -4.041 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -6.349 13.504 -5.979 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -7.695 14.234 -5.098 1.00 1.00 H new ATOM 331 N THR A 220 -5.414 5.085 -6.892 1.00 1.00 N ATOM 332 CA THR A 220 -4.840 4.362 -8.060 1.00 1.00 C ATOM 333 C THR A 220 -5.226 2.881 -8.013 1.00 1.00 C ATOM 334 O THR A 220 -4.672 2.060 -8.716 1.00 1.00 O ATOM 335 CB THR A 220 -3.328 4.538 -7.925 1.00 1.00 C ATOM 336 OG1 THR A 220 -2.869 3.828 -6.784 1.00 1.00 O ATOM 337 CG2 THR A 220 -3.003 6.026 -7.772 1.00 1.00 C ATOM 0 H THR A 220 -4.818 5.118 -6.065 1.00 1.00 H new ATOM 0 HA THR A 220 -5.210 4.747 -9.010 1.00 1.00 H new ATOM 0 HB THR A 220 -2.833 4.149 -8.814 1.00 1.00 H new ATOM 0 HG1 THR A 220 -3.087 4.335 -5.974 1.00 1.00 H new ATOM 0 HG21 THR A 220 -1.925 6.155 -7.675 1.00 1.00 H new ATOM 0 HG22 THR A 220 -3.356 6.568 -8.650 1.00 1.00 H new ATOM 0 HG23 THR A 220 -3.496 6.417 -6.882 1.00 1.00 H new ATOM 345 N GLY A 221 -6.184 2.537 -7.196 1.00 1.00 N ATOM 346 CA GLY A 221 -6.621 1.116 -7.107 1.00 1.00 C ATOM 347 C GLY A 221 -5.438 0.218 -6.732 1.00 1.00 C ATOM 348 O GLY A 221 -5.486 -0.984 -6.902 1.00 1.00 O ATOM 0 H GLY A 221 -6.684 3.182 -6.584 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -7.411 1.017 -6.363 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -7.040 0.797 -8.061 1.00 1.00 H new ATOM 352 N HIS A 222 -4.379 0.782 -6.220 1.00 1.00 N ATOM 353 CA HIS A 222 -3.210 -0.060 -5.836 1.00 1.00 C ATOM 354 C HIS A 222 -3.565 -0.918 -4.617 1.00 1.00 C ATOM 355 O HIS A 222 -4.676 -0.878 -4.125 1.00 1.00 O ATOM 356 CB HIS A 222 -2.093 0.929 -5.498 1.00 1.00 C ATOM 357 CG HIS A 222 -1.602 1.576 -6.761 1.00 1.00 C ATOM 358 ND1 HIS A 222 -2.304 1.502 -7.954 1.00 1.00 N ATOM 359 CD2 HIS A 222 -0.476 2.312 -7.036 1.00 1.00 C ATOM 360 CE1 HIS A 222 -1.602 2.175 -8.882 1.00 1.00 C ATOM 361 NE2 HIS A 222 -0.479 2.691 -8.375 1.00 1.00 N ATOM 0 H HIS A 222 -4.272 1.782 -6.052 1.00 1.00 H new ATOM 0 HA HIS A 222 -2.911 -0.743 -6.631 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -2.460 1.687 -4.807 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -1.273 0.412 -4.998 1.00 1.00 H new ATOM 0 HD1 HIS A 222 -3.193 1.023 -8.101 1.00 1.00 H new ATOM 0 HD2 HIS A 222 0.295 2.559 -6.321 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -1.908 2.285 -9.912 1.00 1.00 H new ATOM 369 N TYR A 223 -2.641 -1.701 -4.131 1.00 1.00 N ATOM 370 CA TYR A 223 -2.945 -2.562 -2.954 1.00 1.00 C ATOM 371 C TYR A 223 -1.856 -2.428 -1.888 1.00 1.00 C ATOM 372 O TYR A 223 -1.145 -3.369 -1.602 1.00 1.00 O ATOM 373 CB TYR A 223 -2.965 -3.983 -3.511 1.00 1.00 C ATOM 374 CG TYR A 223 -4.353 -4.315 -4.005 1.00 1.00 C ATOM 375 CD1 TYR A 223 -4.796 -3.811 -5.232 1.00 1.00 C ATOM 376 CD2 TYR A 223 -5.194 -5.129 -3.235 1.00 1.00 C ATOM 377 CE1 TYR A 223 -6.082 -4.119 -5.692 1.00 1.00 C ATOM 378 CE2 TYR A 223 -6.480 -5.437 -3.695 1.00 1.00 C ATOM 379 CZ TYR A 223 -6.924 -4.932 -4.924 1.00 1.00 C ATOM 380 OH TYR A 223 -8.191 -5.236 -5.378 1.00 1.00 O ATOM 0 H TYR A 223 -1.692 -1.781 -4.497 1.00 1.00 H new ATOM 0 HA TYR A 223 -3.885 -2.286 -2.477 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -2.247 -4.075 -4.326 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -2.664 -4.691 -2.739 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -4.146 -3.184 -5.825 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -4.851 -5.518 -2.288 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -6.424 -3.729 -6.639 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -7.130 -6.064 -3.102 1.00 1.00 H new ATOM 0 HH TYR A 223 -8.244 -5.061 -6.341 1.00 1.00 H new ATOM 390 N LEU A 224 -1.719 -1.276 -1.292 1.00 1.00 N ATOM 391 CA LEU A 224 -0.673 -1.111 -0.241 1.00 1.00 C ATOM 392 C LEU A 224 -0.872 -2.158 0.857 1.00 1.00 C ATOM 393 O LEU A 224 -1.893 -2.815 0.922 1.00 1.00 O ATOM 394 CB LEU A 224 -0.875 0.298 0.318 1.00 1.00 C ATOM 395 CG LEU A 224 -0.300 1.323 -0.657 1.00 1.00 C ATOM 396 CD1 LEU A 224 -0.687 2.732 -0.203 1.00 1.00 C ATOM 397 CD2 LEU A 224 1.225 1.197 -0.684 1.00 1.00 C ATOM 0 H LEU A 224 -2.281 -0.447 -1.484 1.00 1.00 H new ATOM 0 HA LEU A 224 0.334 -1.243 -0.637 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -1.936 0.488 0.477 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -0.386 0.389 1.288 1.00 1.00 H new ATOM 0 HG LEU A 224 -0.699 1.141 -1.655 1.00 1.00 H new ATOM 0 HD11 LEU A 224 -0.277 3.464 -0.899 1.00 1.00 H new ATOM 0 HD12 LEU A 224 -1.773 2.822 -0.181 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -0.287 2.916 0.794 1.00 1.00 H new ATOM 0 HD21 LEU A 224 1.638 1.928 -1.379 1.00 1.00 H new ATOM 0 HD22 LEU A 224 1.623 1.380 0.314 1.00 1.00 H new ATOM 0 HD23 LEU A 224 1.501 0.193 -1.006 1.00 1.00 H new ATOM 409 N CYS A 225 0.092 -2.320 1.716 1.00 1.00 N ATOM 410 CA CYS A 225 -0.043 -3.326 2.807 1.00 1.00 C ATOM 411 C CYS A 225 -0.374 -2.630 4.130 1.00 1.00 C ATOM 412 O CYS A 225 0.221 -2.906 5.152 1.00 1.00 O ATOM 413 CB CYS A 225 1.323 -4.008 2.883 1.00 1.00 C ATOM 414 SG CYS A 225 2.538 -2.852 3.565 1.00 1.00 S ATOM 0 H CYS A 225 0.969 -1.800 1.711 1.00 1.00 H new ATOM 0 HA CYS A 225 -0.845 -4.040 2.617 1.00 1.00 H new ATOM 0 HB2 CYS A 225 1.262 -4.899 3.508 1.00 1.00 H new ATOM 0 HB3 CYS A 225 1.634 -4.335 1.891 1.00 1.00 H new ATOM 419 N ASN A 226 -1.319 -1.730 4.117 1.00 1.00 N ATOM 420 CA ASN A 226 -1.690 -1.018 5.375 1.00 1.00 C ATOM 421 C ASN A 226 -0.545 -0.107 5.829 1.00 1.00 C ATOM 422 O ASN A 226 -0.679 1.101 5.870 1.00 1.00 O ATOM 423 CB ASN A 226 -1.932 -2.127 6.400 1.00 1.00 C ATOM 424 CG ASN A 226 -2.912 -1.636 7.466 1.00 1.00 C ATOM 425 OD1 ASN A 226 -3.547 -0.613 7.301 1.00 1.00 O ATOM 426 ND2 ASN A 226 -3.063 -2.327 8.563 1.00 1.00 N ATOM 0 H ASN A 226 -1.851 -1.456 3.291 1.00 1.00 H new ATOM 0 HA ASN A 226 -2.566 -0.383 5.246 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -2.331 -3.012 5.905 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -0.990 -2.419 6.864 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -3.714 -2.008 9.281 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -2.530 -3.186 8.702 1.00 1.00 H new ATOM 433 N ALA A 227 0.579 -0.675 6.177 1.00 1.00 N ATOM 434 CA ALA A 227 1.729 0.158 6.632 1.00 1.00 C ATOM 435 C ALA A 227 2.043 1.249 5.606 1.00 1.00 C ATOM 436 O ALA A 227 2.055 2.425 5.915 1.00 1.00 O ATOM 437 CB ALA A 227 2.901 -0.817 6.751 1.00 1.00 C ATOM 0 H ALA A 227 0.750 -1.680 6.166 1.00 1.00 H new ATOM 0 HA ALA A 227 1.519 0.665 7.574 1.00 1.00 H new ATOM 0 HB1 ALA A 227 3.789 -0.279 7.082 1.00 1.00 H new ATOM 0 HB2 ALA A 227 2.656 -1.594 7.475 1.00 1.00 H new ATOM 0 HB3 ALA A 227 3.094 -1.274 5.780 1.00 1.00 H new ATOM 443 N CYS A 228 2.304 0.865 4.390 1.00 1.00 N ATOM 444 CA CYS A 228 2.625 1.873 3.339 1.00 1.00 C ATOM 445 C CYS A 228 1.466 2.860 3.167 1.00 1.00 C ATOM 446 O CYS A 228 1.665 4.054 3.080 1.00 1.00 O ATOM 447 CB CYS A 228 2.825 1.062 2.067 1.00 1.00 C ATOM 448 SG CYS A 228 4.366 0.113 2.181 1.00 1.00 S ATOM 0 H CYS A 228 2.309 -0.105 4.076 1.00 1.00 H new ATOM 0 HA CYS A 228 3.505 2.464 3.594 1.00 1.00 H new ATOM 0 HB2 CYS A 228 1.982 0.388 1.918 1.00 1.00 H new ATOM 0 HB3 CYS A 228 2.859 1.726 1.203 1.00 1.00 H new ATOM 453 N GLY A 229 0.259 2.367 3.114 1.00 1.00 N ATOM 454 CA GLY A 229 -0.911 3.276 2.944 1.00 1.00 C ATOM 455 C GLY A 229 -1.014 4.217 4.145 1.00 1.00 C ATOM 456 O GLY A 229 -1.659 5.247 4.086 1.00 1.00 O ATOM 0 H GLY A 229 0.032 1.375 3.181 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -0.804 3.854 2.026 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -1.826 2.692 2.848 1.00 1.00 H new ATOM 460 N LEU A 230 -0.386 3.875 5.236 1.00 1.00 N ATOM 461 CA LEU A 230 -0.452 4.752 6.440 1.00 1.00 C ATOM 462 C LEU A 230 -0.085 6.193 6.073 1.00 1.00 C ATOM 463 O LEU A 230 -0.869 7.106 6.245 1.00 1.00 O ATOM 464 CB LEU A 230 0.573 4.173 7.402 1.00 1.00 C ATOM 465 CG LEU A 230 0.407 4.820 8.778 1.00 1.00 C ATOM 466 CD1 LEU A 230 1.038 3.922 9.844 1.00 1.00 C ATOM 467 CD2 LEU A 230 1.102 6.183 8.785 1.00 1.00 C ATOM 0 H LEU A 230 0.170 3.027 5.346 1.00 1.00 H new ATOM 0 HA LEU A 230 -1.452 4.781 6.873 1.00 1.00 H new ATOM 0 HB2 LEU A 230 0.445 3.093 7.479 1.00 1.00 H new ATOM 0 HB3 LEU A 230 1.581 4.349 7.025 1.00 1.00 H new ATOM 0 HG LEU A 230 -0.654 4.949 8.994 1.00 1.00 H new ATOM 0 HD11 LEU A 230 0.920 4.383 10.825 1.00 1.00 H new ATOM 0 HD12 LEU A 230 0.546 2.950 9.838 1.00 1.00 H new ATOM 0 HD13 LEU A 230 2.099 3.793 9.629 1.00 1.00 H new ATOM 0 HD21 LEU A 230 0.985 6.646 9.765 1.00 1.00 H new ATOM 0 HD22 LEU A 230 2.162 6.052 8.570 1.00 1.00 H new ATOM 0 HD23 LEU A 230 0.654 6.824 8.025 1.00 1.00 H new ATOM 479 N TYR A 231 1.102 6.402 5.574 1.00 1.00 N ATOM 480 CA TYR A 231 1.523 7.783 5.200 1.00 1.00 C ATOM 481 C TYR A 231 0.453 8.452 4.330 1.00 1.00 C ATOM 482 O TYR A 231 0.057 9.574 4.570 1.00 1.00 O ATOM 483 CB TYR A 231 2.822 7.597 4.411 1.00 1.00 C ATOM 484 CG TYR A 231 3.129 8.850 3.625 1.00 1.00 C ATOM 485 CD1 TYR A 231 2.518 9.066 2.384 1.00 1.00 C ATOM 486 CD2 TYR A 231 4.026 9.795 4.138 1.00 1.00 C ATOM 487 CE1 TYR A 231 2.803 10.227 1.655 1.00 1.00 C ATOM 488 CE2 TYR A 231 4.312 10.955 3.408 1.00 1.00 C ATOM 489 CZ TYR A 231 3.701 11.171 2.166 1.00 1.00 C ATOM 490 OH TYR A 231 3.982 12.316 1.449 1.00 1.00 O ATOM 0 H TYR A 231 1.799 5.676 5.409 1.00 1.00 H new ATOM 0 HA TYR A 231 1.661 8.423 6.072 1.00 1.00 H new ATOM 0 HB2 TYR A 231 3.643 7.374 5.092 1.00 1.00 H new ATOM 0 HB3 TYR A 231 2.729 6.747 3.735 1.00 1.00 H new ATOM 0 HD1 TYR A 231 1.826 8.337 1.989 1.00 1.00 H new ATOM 0 HD2 TYR A 231 4.497 9.629 5.096 1.00 1.00 H new ATOM 0 HE1 TYR A 231 2.330 10.394 0.699 1.00 1.00 H new ATOM 0 HE2 TYR A 231 5.004 11.684 3.803 1.00 1.00 H new ATOM 0 HH TYR A 231 4.624 12.864 1.947 1.00 1.00 H new ATOM 500 N HIS A 232 -0.011 7.773 3.318 1.00 1.00 N ATOM 501 CA HIS A 232 -1.048 8.371 2.429 1.00 1.00 C ATOM 502 C HIS A 232 -2.235 8.884 3.250 1.00 1.00 C ATOM 503 O HIS A 232 -2.864 9.864 2.904 1.00 1.00 O ATOM 504 CB HIS A 232 -1.486 7.231 1.511 1.00 1.00 C ATOM 505 CG HIS A 232 -2.544 7.728 0.565 1.00 1.00 C ATOM 506 ND1 HIS A 232 -3.892 7.489 0.775 1.00 1.00 N ATOM 507 CD2 HIS A 232 -2.467 8.453 -0.599 1.00 1.00 C ATOM 508 CE1 HIS A 232 -4.568 8.062 -0.239 1.00 1.00 C ATOM 509 NE2 HIS A 232 -3.748 8.663 -1.105 1.00 1.00 N ATOM 0 H HIS A 232 0.283 6.829 3.067 1.00 1.00 H new ATOM 0 HA HIS A 232 -0.663 9.224 1.871 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -0.631 6.852 0.951 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -1.873 6.401 2.103 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -1.553 8.806 -1.053 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -5.643 8.038 -0.340 1.00 1.00 H new ATOM 0 HE2 HIS A 232 -4.004 9.167 -1.954 1.00 1.00 H new ATOM 517 N LYS A 233 -2.548 8.230 4.333 1.00 1.00 N ATOM 518 CA LYS A 233 -3.697 8.680 5.171 1.00 1.00 C ATOM 519 C LYS A 233 -3.345 9.977 5.906 1.00 1.00 C ATOM 520 O LYS A 233 -4.212 10.727 6.310 1.00 1.00 O ATOM 521 CB LYS A 233 -3.929 7.547 6.170 1.00 1.00 C ATOM 522 CG LYS A 233 -4.404 6.298 5.425 1.00 1.00 C ATOM 523 CD LYS A 233 -4.682 5.180 6.433 1.00 1.00 C ATOM 524 CE LYS A 233 -5.721 4.219 5.855 1.00 1.00 C ATOM 525 NZ LYS A 233 -7.029 4.719 6.362 1.00 1.00 N ATOM 0 H LYS A 233 -2.059 7.403 4.675 1.00 1.00 H new ATOM 0 HA LYS A 233 -4.585 8.885 4.573 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -3.008 7.332 6.712 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -4.672 7.847 6.910 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -5.306 6.522 4.855 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -3.647 5.978 4.710 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -3.761 4.643 6.660 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -5.044 5.603 7.370 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -5.694 4.217 4.765 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -5.536 3.195 6.180 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -7.794 4.110 6.008 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -7.027 4.703 7.402 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -7.180 5.693 6.031 1.00 1.00 H new ATOM 539 N MET A 234 -2.082 10.242 6.086 1.00 1.00 N ATOM 540 CA MET A 234 -1.678 11.488 6.800 1.00 1.00 C ATOM 541 C MET A 234 -1.645 12.671 5.833 1.00 1.00 C ATOM 542 O MET A 234 -2.531 13.503 5.821 1.00 1.00 O ATOM 543 CB MET A 234 -0.277 11.194 7.337 1.00 1.00 C ATOM 544 CG MET A 234 -0.381 10.282 8.562 1.00 1.00 C ATOM 545 SD MET A 234 0.327 11.123 10.001 1.00 1.00 S ATOM 546 CE MET A 234 1.944 11.489 9.275 1.00 1.00 C ATOM 0 H MET A 234 -1.312 9.652 5.771 1.00 1.00 H new ATOM 0 HA MET A 234 -2.375 11.753 7.595 1.00 1.00 H new ATOM 0 HB2 MET A 234 0.327 10.717 6.565 1.00 1.00 H new ATOM 0 HB3 MET A 234 0.224 12.124 7.604 1.00 1.00 H new ATOM 0 HG2 MET A 234 -1.424 10.028 8.752 1.00 1.00 H new ATOM 0 HG3 MET A 234 0.147 9.346 8.378 1.00 1.00 H new ATOM 0 HE1 MET A 234 2.702 11.490 10.058 1.00 1.00 H new ATOM 0 HE2 MET A 234 2.190 10.730 8.533 1.00 1.00 H new ATOM 0 HE3 MET A 234 1.915 12.468 8.797 1.00 1.00 H new ATOM 556 N ASN A 235 -0.627 12.756 5.024 1.00 1.00 N ATOM 557 CA ASN A 235 -0.531 13.889 4.057 1.00 1.00 C ATOM 558 C ASN A 235 -1.566 13.728 2.942 1.00 1.00 C ATOM 559 O ASN A 235 -2.066 14.695 2.400 1.00 1.00 O ATOM 560 CB ASN A 235 0.886 13.804 3.489 1.00 1.00 C ATOM 561 CG ASN A 235 1.858 14.510 4.435 1.00 1.00 C ATOM 562 OD1 ASN A 235 2.162 15.673 4.255 1.00 1.00 O ATOM 563 ND2 ASN A 235 2.361 13.853 5.443 1.00 1.00 N ATOM 0 H ASN A 235 0.145 12.090 4.989 1.00 1.00 H new ATOM 0 HA ASN A 235 -0.725 14.851 4.530 1.00 1.00 H new ATOM 0 HB2 ASN A 235 1.177 12.761 3.364 1.00 1.00 H new ATOM 0 HB3 ASN A 235 0.922 14.266 2.502 1.00 1.00 H new ATOM 0 HD21 ASN A 235 3.010 14.315 6.080 1.00 1.00 H new ATOM 0 HD22 ASN A 235 2.106 12.877 5.594 1.00 1.00 H new ATOM 570 N GLY A 236 -1.890 12.516 2.595 1.00 1.00 N ATOM 571 CA GLY A 236 -2.887 12.290 1.518 1.00 1.00 C ATOM 572 C GLY A 236 -2.171 11.871 0.234 1.00 1.00 C ATOM 573 O GLY A 236 -2.688 11.102 -0.553 1.00 1.00 O ATOM 0 H GLY A 236 -1.505 11.669 3.013 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -3.594 11.518 1.820 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -3.462 13.199 1.345 1.00 1.00 H new ATOM 577 N GLN A 237 -0.984 12.368 0.013 1.00 1.00 N ATOM 578 CA GLN A 237 -0.239 11.995 -1.223 1.00 1.00 C ATOM 579 C GLN A 237 0.341 10.584 -1.083 1.00 1.00 C ATOM 580 O GLN A 237 0.204 9.944 -0.060 1.00 1.00 O ATOM 581 CB GLN A 237 0.886 13.024 -1.337 1.00 1.00 C ATOM 582 CG GLN A 237 0.286 14.421 -1.513 1.00 1.00 C ATOM 583 CD GLN A 237 1.287 15.315 -2.248 1.00 1.00 C ATOM 584 OE1 GLN A 237 2.471 15.041 -2.258 1.00 1.00 O ATOM 585 NE2 GLN A 237 0.859 16.380 -2.869 1.00 1.00 N ATOM 0 H GLN A 237 -0.499 13.015 0.634 1.00 1.00 H new ATOM 0 HA GLN A 237 -0.880 11.993 -2.105 1.00 1.00 H new ATOM 0 HB2 GLN A 237 1.511 12.995 -0.444 1.00 1.00 H new ATOM 0 HB3 GLN A 237 1.528 12.783 -2.184 1.00 1.00 H new ATOM 0 HG2 GLN A 237 -0.646 14.360 -2.076 1.00 1.00 H new ATOM 0 HG3 GLN A 237 0.044 14.850 -0.541 1.00 1.00 H new ATOM 0 HE21 GLN A 237 -0.135 16.610 -2.861 1.00 1.00 H new ATOM 0 HE22 GLN A 237 1.518 16.982 -3.363 1.00 1.00 H new ATOM 594 N ASN A 238 0.988 10.096 -2.106 1.00 1.00 N ATOM 595 CA ASN A 238 1.576 8.728 -2.031 1.00 1.00 C ATOM 596 C ASN A 238 3.019 8.798 -1.530 1.00 1.00 C ATOM 597 O ASN A 238 3.632 9.848 -1.515 1.00 1.00 O ATOM 598 CB ASN A 238 1.531 8.201 -3.465 1.00 1.00 C ATOM 599 CG ASN A 238 0.111 7.739 -3.794 1.00 1.00 C ATOM 600 OD1 ASN A 238 -0.619 7.308 -2.923 1.00 1.00 O ATOM 601 ND2 ASN A 238 -0.318 7.811 -5.024 1.00 1.00 N ATOM 0 H ASN A 238 1.135 10.584 -2.989 1.00 1.00 H new ATOM 0 HA ASN A 238 1.033 8.082 -1.341 1.00 1.00 H new ATOM 0 HB2 ASN A 238 1.841 8.981 -4.160 1.00 1.00 H new ATOM 0 HB3 ASN A 238 2.230 7.373 -3.582 1.00 1.00 H new ATOM 0 HD21 ASN A 238 -1.264 7.506 -5.253 1.00 1.00 H new ATOM 0 HD22 ASN A 238 0.293 8.172 -5.757 1.00 1.00 H new ATOM 608 N ARG A 239 3.570 7.689 -1.122 1.00 1.00 N ATOM 609 CA ARG A 239 4.975 7.693 -0.623 1.00 1.00 C ATOM 610 C ARG A 239 5.950 7.835 -1.795 1.00 1.00 C ATOM 611 O ARG A 239 5.575 7.671 -2.939 1.00 1.00 O ATOM 612 CB ARG A 239 5.156 6.340 0.065 1.00 1.00 C ATOM 613 CG ARG A 239 4.917 6.495 1.569 1.00 1.00 C ATOM 614 CD ARG A 239 4.191 5.257 2.099 1.00 1.00 C ATOM 615 NE ARG A 239 4.916 4.891 3.348 1.00 1.00 N ATOM 616 CZ ARG A 239 5.756 3.896 3.344 1.00 1.00 C ATOM 617 NH1 ARG A 239 6.751 3.882 2.500 1.00 1.00 N ATOM 618 NH2 ARG A 239 5.601 2.908 4.186 1.00 1.00 N ATOM 0 H ARG A 239 3.109 6.779 -1.112 1.00 1.00 H new ATOM 0 HA ARG A 239 5.170 8.523 0.056 1.00 1.00 H new ATOM 0 HB2 ARG A 239 4.459 5.612 -0.351 1.00 1.00 H new ATOM 0 HB3 ARG A 239 6.161 5.959 -0.117 1.00 1.00 H new ATOM 0 HG2 ARG A 239 5.867 6.623 2.088 1.00 1.00 H new ATOM 0 HG3 ARG A 239 4.324 7.389 1.764 1.00 1.00 H new ATOM 0 HD2 ARG A 239 3.141 5.471 2.300 1.00 1.00 H new ATOM 0 HD3 ARG A 239 4.217 4.443 1.374 1.00 1.00 H new ATOM 0 HE ARG A 239 4.755 5.419 4.205 1.00 1.00 H new ATOM 0 HH11 ARG A 239 6.872 4.652 1.842 1.00 1.00 H new ATOM 0 HH12 ARG A 239 7.408 3.102 2.499 1.00 1.00 H new ATOM 0 HH21 ARG A 239 4.823 2.917 4.845 1.00 1.00 H new ATOM 0 HH22 ARG A 239 6.258 2.128 4.184 1.00 1.00 H new ATOM 632 N PRO A 240 7.174 8.141 -1.464 1.00 1.00 N ATOM 633 CA PRO A 240 8.227 8.313 -2.498 1.00 1.00 C ATOM 634 C PRO A 240 8.613 6.961 -3.108 1.00 1.00 C ATOM 635 O PRO A 240 8.039 6.524 -4.086 1.00 1.00 O ATOM 636 CB PRO A 240 9.394 8.915 -1.720 1.00 1.00 C ATOM 637 CG PRO A 240 9.179 8.481 -0.304 1.00 1.00 C ATOM 638 CD PRO A 240 7.692 8.352 -0.107 1.00 1.00 C ATOM 0 HA PRO A 240 7.909 8.937 -3.333 1.00 1.00 H new ATOM 0 HB2 PRO A 240 10.350 8.557 -2.102 1.00 1.00 H new ATOM 0 HB3 PRO A 240 9.405 10.002 -1.803 1.00 1.00 H new ATOM 0 HG2 PRO A 240 9.678 7.531 -0.111 1.00 1.00 H new ATOM 0 HG3 PRO A 240 9.599 9.208 0.391 1.00 1.00 H new ATOM 0 HD2 PRO A 240 7.447 7.517 0.549 1.00 1.00 H new ATOM 0 HD3 PRO A 240 7.270 9.248 0.347 1.00 1.00 H new ATOM 646 N LEU A 241 9.585 6.298 -2.542 1.00 1.00 N ATOM 647 CA LEU A 241 10.010 4.979 -3.095 1.00 1.00 C ATOM 648 C LEU A 241 10.316 5.109 -4.588 1.00 1.00 C ATOM 649 O LEU A 241 10.180 6.166 -5.171 1.00 1.00 O ATOM 650 CB LEU A 241 8.820 4.046 -2.869 1.00 1.00 C ATOM 651 CG LEU A 241 8.669 3.766 -1.372 1.00 1.00 C ATOM 652 CD1 LEU A 241 7.211 3.425 -1.060 1.00 1.00 C ATOM 653 CD2 LEU A 241 9.562 2.586 -0.984 1.00 1.00 C ATOM 0 H LEU A 241 10.103 6.612 -1.721 1.00 1.00 H new ATOM 0 HA LEU A 241 10.914 4.603 -2.616 1.00 1.00 H new ATOM 0 HB2 LEU A 241 7.909 4.500 -3.259 1.00 1.00 H new ATOM 0 HB3 LEU A 241 8.968 3.112 -3.411 1.00 1.00 H new ATOM 0 HG LEU A 241 8.964 4.649 -0.805 1.00 1.00 H new ATOM 0 HD11 LEU A 241 7.104 3.226 0.006 1.00 1.00 H new ATOM 0 HD12 LEU A 241 6.574 4.264 -1.338 1.00 1.00 H new ATOM 0 HD13 LEU A 241 6.915 2.542 -1.626 1.00 1.00 H new ATOM 0 HD21 LEU A 241 9.456 2.385 0.082 1.00 1.00 H new ATOM 0 HD22 LEU A 241 9.266 1.704 -1.551 1.00 1.00 H new ATOM 0 HD23 LEU A 241 10.601 2.828 -1.206 1.00 1.00 H new ATOM 665 N ILE A 242 10.733 4.042 -5.210 1.00 1.00 N ATOM 666 CA ILE A 242 11.052 4.099 -6.659 1.00 1.00 C ATOM 667 C ILE A 242 9.811 3.759 -7.490 1.00 1.00 C ATOM 668 O ILE A 242 9.774 2.768 -8.190 1.00 1.00 O ATOM 669 CB ILE A 242 12.145 3.052 -6.865 1.00 1.00 C ATOM 670 CG1 ILE A 242 13.300 3.333 -5.901 1.00 1.00 C ATOM 671 CG2 ILE A 242 12.658 3.121 -8.306 1.00 1.00 C ATOM 672 CD1 ILE A 242 13.796 4.766 -6.100 1.00 1.00 C ATOM 0 H ILE A 242 10.866 3.130 -4.773 1.00 1.00 H new ATOM 0 HA ILE A 242 11.377 5.091 -6.972 1.00 1.00 H new ATOM 0 HB ILE A 242 11.739 2.059 -6.673 1.00 1.00 H new ATOM 0 HG12 ILE A 242 12.971 3.191 -4.872 1.00 1.00 H new ATOM 0 HG13 ILE A 242 14.113 2.628 -6.076 1.00 1.00 H new ATOM 0 HG21 ILE A 242 13.438 2.373 -8.451 1.00 1.00 H new ATOM 0 HG22 ILE A 242 11.836 2.926 -8.995 1.00 1.00 H new ATOM 0 HG23 ILE A 242 13.066 4.113 -8.500 1.00 1.00 H new ATOM 0 HD11 ILE A 242 14.618 4.965 -5.413 1.00 1.00 H new ATOM 0 HD12 ILE A 242 14.142 4.892 -7.126 1.00 1.00 H new ATOM 0 HD13 ILE A 242 12.982 5.463 -5.903 1.00 1.00 H new ATOM 684 N ARG A 243 8.795 4.576 -7.418 1.00 1.00 N ATOM 685 CA ARG A 243 7.559 4.298 -8.204 1.00 1.00 C ATOM 686 C ARG A 243 6.707 5.565 -8.321 1.00 1.00 C ATOM 687 O ARG A 243 5.858 5.606 -9.196 1.00 1.00 O ATOM 688 CB ARG A 243 6.820 3.227 -7.411 1.00 1.00 C ATOM 689 CG ARG A 243 6.684 1.964 -8.263 1.00 1.00 C ATOM 690 CD ARG A 243 5.258 1.864 -8.808 1.00 1.00 C ATOM 691 NE ARG A 243 5.421 1.544 -10.254 1.00 1.00 N ATOM 692 CZ ARG A 243 5.551 0.304 -10.637 1.00 1.00 C ATOM 693 NH1 ARG A 243 6.700 -0.302 -10.510 1.00 1.00 N ATOM 694 NH2 ARG A 243 4.530 -0.331 -11.144 1.00 1.00 N ATOM 695 OXT ARG A 243 6.918 6.472 -7.533 1.00 0.00 O ATOM 0 H ARG A 243 8.767 5.423 -6.850 1.00 1.00 H new ATOM 0 HA ARG A 243 7.781 3.973 -9.220 1.00 1.00 H new ATOM 0 HB2 ARG A 243 7.361 3.002 -6.492 1.00 1.00 H new ATOM 0 HB3 ARG A 243 5.834 3.590 -7.120 1.00 1.00 H new ATOM 0 HG2 ARG A 243 7.398 1.990 -9.086 1.00 1.00 H new ATOM 0 HG3 ARG A 243 6.918 1.083 -7.665 1.00 1.00 H new ATOM 0 HD2 ARG A 243 4.692 1.088 -8.293 1.00 1.00 H new ATOM 0 HD3 ARG A 243 4.716 2.799 -8.669 1.00 1.00 H new ATOM 0 HE ARG A 243 5.431 2.295 -10.944 1.00 1.00 H new ATOM 0 HH11 ARG A 243 7.497 0.194 -10.111 1.00 1.00 H new ATOM 0 HH12 ARG A 243 6.801 -1.272 -10.810 1.00 1.00 H new ATOM 0 HH21 ARG A 243 3.632 0.142 -11.240 1.00 1.00 H new ATOM 0 HH22 ARG A 243 4.630 -1.301 -11.444 1.00 1.00 H new TER 709 ARG A 243 HETATM 710 ZN ZN A 244 3.806 -2.083 1.805 1.00 1.00 ZN