USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 599 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 224 ASN : amide:sc= -1.45! C(o=-2!,f=-1.9!) USER MOD Set 1.2: A 232 THR OG1 : rot 180:sc= -0.593 USER MOD Single : A 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 181 GLN : amide:sc= -4.19! C(o=-4.2!,f=-4!) USER MOD Single : A 182 HIS : no HD1:sc= -0.0105 X(o=-0.011,f=-0.1) USER MOD Single : A 186 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 189 SER OG : rot -41:sc= 0.357 USER MOD Single : A 193 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 194 HIS : no HE2:sc= -1.1! C(o=-1.1!,f=-7.3!) USER MOD Single : A 195 GLN : amide:sc= -0.245 X(o=-0.25,f=-0.21) USER MOD Single : A 196 TYR OH : rot 180:sc= 0 USER MOD Single : A 197 TYR OH : rot 180:sc= -0.851 USER MOD Single : A 198 ASN : amide:sc= -2.3! C(o=-2.3!,f=-14!) USER MOD Single : A 200 LYS NZ :NH3+ -150:sc= -0.191 (180deg=-1.27!) USER MOD Single : A 206 THR OG1 : rot -63:sc= 1.15 USER MOD Single : A 207 LYS NZ :NH3+ 163:sc= -0.0229 (180deg=-0.324) USER MOD Single : A 208 GLN : amide:sc= -5.14! C(o=-5.1!,f=-9.8!) USER MOD Single : A 212 TYR OH : rot 77:sc= 0.512 USER MOD Single : A 214 LYS NZ :NH3+ -137:sc= -2.94 (180deg=-5.6!) USER MOD Single : A 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 GLN : amide:sc= -13.2! C(o=-13!,f=-3!) USER MOD Single : A 226 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 229 HIS : no HD1:sc= -2.35! C(o=-2.3!,f=-1.7!) USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 231 ASN : amide:sc= -0.221 X(o=-0.22,f=-0.12) USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 239 TYR OH : rot -27:sc= -1.58! USER MOD Single : A 241 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-0.45) USER MOD Single : A 242 TYR OH : rot 157:sc= 0.873 USER MOD Single : A 243 GLN : amide:sc= -2.19! C(o=-2.2!,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 175 4.316 -13.715 -10.497 1.00 0.00 N ATOM 2 CA ARG A 175 3.864 -12.853 -11.626 1.00 0.00 C ATOM 3 C ARG A 175 4.030 -11.381 -11.241 1.00 0.00 C ATOM 4 O ARG A 175 5.041 -10.980 -10.701 1.00 0.00 O ATOM 5 CB ARG A 175 2.389 -13.142 -11.941 1.00 0.00 C ATOM 6 CG ARG A 175 1.542 -13.032 -10.658 1.00 0.00 C ATOM 7 CD ARG A 175 0.082 -12.734 -11.016 1.00 0.00 C ATOM 8 NE ARG A 175 -0.784 -13.091 -9.858 1.00 0.00 N ATOM 9 CZ ARG A 175 -2.032 -12.716 -9.838 1.00 0.00 C ATOM 10 NH1 ARG A 175 -2.522 -12.029 -10.830 1.00 0.00 N ATOM 11 NH2 ARG A 175 -2.793 -13.025 -8.830 1.00 0.00 N ATOM 0 HA ARG A 175 4.467 -13.067 -12.509 1.00 0.00 H new ATOM 0 HB2 ARG A 175 2.024 -12.438 -12.689 1.00 0.00 H new ATOM 0 HB3 ARG A 175 2.289 -14.140 -12.368 1.00 0.00 H new ATOM 0 HG2 ARG A 175 1.603 -13.961 -10.091 1.00 0.00 H new ATOM 0 HG3 ARG A 175 1.937 -12.242 -10.019 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -0.037 -11.679 -11.264 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -0.213 -13.304 -11.897 1.00 0.00 H new ATOM 0 HE ARG A 175 -0.400 -13.629 -9.081 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -1.929 -11.784 -11.623 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -3.499 -11.736 -10.814 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -2.414 -13.563 -8.051 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -3.769 -12.729 -8.818 1.00 0.00 H new ATOM 25 N ALA A 176 3.036 -10.578 -11.507 1.00 0.00 N ATOM 26 CA ALA A 176 3.119 -9.140 -11.156 1.00 0.00 C ATOM 27 C ALA A 176 3.002 -8.985 -9.640 1.00 0.00 C ATOM 28 O ALA A 176 2.926 -7.888 -9.121 1.00 0.00 O ATOM 29 CB ALA A 176 1.978 -8.393 -11.844 1.00 0.00 C ATOM 0 H ALA A 176 2.165 -10.863 -11.956 1.00 0.00 H new ATOM 0 HA ALA A 176 4.073 -8.728 -11.486 1.00 0.00 H new ATOM 0 HB1 ALA A 176 2.032 -7.334 -11.591 1.00 0.00 H new ATOM 0 HB2 ALA A 176 2.064 -8.513 -12.924 1.00 0.00 H new ATOM 0 HB3 ALA A 176 1.023 -8.798 -11.509 1.00 0.00 H new ATOM 35 N ARG A 177 2.989 -10.074 -8.925 1.00 0.00 N ATOM 36 CA ARG A 177 2.881 -9.981 -7.447 1.00 0.00 C ATOM 37 C ARG A 177 4.180 -9.400 -6.895 1.00 0.00 C ATOM 38 O ARG A 177 4.257 -8.987 -5.755 1.00 0.00 O ATOM 39 CB ARG A 177 2.665 -11.373 -6.863 1.00 0.00 C ATOM 40 CG ARG A 177 2.305 -11.244 -5.379 1.00 0.00 C ATOM 41 CD ARG A 177 2.010 -12.622 -4.794 1.00 0.00 C ATOM 42 NE ARG A 177 1.081 -13.371 -5.706 1.00 0.00 N ATOM 43 CZ ARG A 177 -0.079 -12.876 -6.045 1.00 0.00 C ATOM 44 NH1 ARG A 177 -0.555 -11.834 -5.420 1.00 0.00 N ATOM 45 NH2 ARG A 177 -0.796 -13.461 -6.967 1.00 0.00 N ATOM 0 H ARG A 177 3.048 -11.021 -9.300 1.00 0.00 H new ATOM 0 HA ARG A 177 2.040 -9.342 -7.177 1.00 0.00 H new ATOM 0 HB2 ARG A 177 1.868 -11.886 -7.400 1.00 0.00 H new ATOM 0 HB3 ARG A 177 3.567 -11.974 -6.980 1.00 0.00 H new ATOM 0 HG2 ARG A 177 3.127 -10.777 -4.836 1.00 0.00 H new ATOM 0 HG3 ARG A 177 1.436 -10.596 -5.262 1.00 0.00 H new ATOM 0 HD2 ARG A 177 2.938 -13.180 -4.666 1.00 0.00 H new ATOM 0 HD3 ARG A 177 1.561 -12.520 -3.806 1.00 0.00 H new ATOM 0 HE ARG A 177 1.361 -14.283 -6.067 1.00 0.00 H new ATOM 0 HH11 ARG A 177 -0.021 -11.404 -4.665 1.00 0.00 H new ATOM 0 HH12 ARG A 177 -1.461 -11.449 -5.687 1.00 0.00 H new ATOM 0 HH21 ARG A 177 -0.450 -14.305 -7.423 1.00 0.00 H new ATOM 0 HH22 ARG A 177 -1.702 -13.074 -7.231 1.00 0.00 H new ATOM 59 N ALA A 178 5.203 -9.349 -7.701 1.00 0.00 N ATOM 60 CA ALA A 178 6.484 -8.781 -7.210 1.00 0.00 C ATOM 61 C ALA A 178 6.235 -7.335 -6.825 1.00 0.00 C ATOM 62 O ALA A 178 6.606 -6.886 -5.758 1.00 0.00 O ATOM 63 CB ALA A 178 7.525 -8.818 -8.323 1.00 0.00 C ATOM 0 H ALA A 178 5.207 -9.673 -8.668 1.00 0.00 H new ATOM 0 HA ALA A 178 6.847 -9.357 -6.359 1.00 0.00 H new ATOM 0 HB1 ALA A 178 8.463 -8.400 -7.958 1.00 0.00 H new ATOM 0 HB2 ALA A 178 7.685 -9.849 -8.637 1.00 0.00 H new ATOM 0 HB3 ALA A 178 7.172 -8.231 -9.171 1.00 0.00 H new ATOM 69 N ASP A 179 5.592 -6.606 -7.689 1.00 0.00 N ATOM 70 CA ASP A 179 5.291 -5.192 -7.383 1.00 0.00 C ATOM 71 C ASP A 179 4.358 -5.136 -6.177 1.00 0.00 C ATOM 72 O ASP A 179 4.505 -4.319 -5.308 1.00 0.00 O ATOM 73 CB ASP A 179 4.611 -4.536 -8.582 1.00 0.00 C ATOM 74 CG ASP A 179 5.625 -4.342 -9.711 1.00 0.00 C ATOM 75 OD1 ASP A 179 6.804 -4.224 -9.412 1.00 0.00 O ATOM 76 OD2 ASP A 179 5.207 -4.315 -10.858 1.00 0.00 O ATOM 0 H ASP A 179 5.262 -6.934 -8.597 1.00 0.00 H new ATOM 0 HA ASP A 179 6.217 -4.660 -7.164 1.00 0.00 H new ATOM 0 HB2 ASP A 179 3.784 -5.156 -8.927 1.00 0.00 H new ATOM 0 HB3 ASP A 179 4.189 -3.574 -8.291 1.00 0.00 H new ATOM 81 N LYS A 180 3.388 -6.001 -6.124 1.00 0.00 N ATOM 82 CA LYS A 180 2.443 -5.974 -4.975 1.00 0.00 C ATOM 83 C LYS A 180 3.207 -5.886 -3.659 1.00 0.00 C ATOM 84 O LYS A 180 3.080 -4.933 -2.923 1.00 0.00 O ATOM 85 CB LYS A 180 1.603 -7.249 -4.971 1.00 0.00 C ATOM 86 CG LYS A 180 0.649 -7.218 -3.778 1.00 0.00 C ATOM 87 CD LYS A 180 -0.398 -8.321 -3.927 1.00 0.00 C ATOM 88 CE LYS A 180 -1.394 -8.223 -2.770 1.00 0.00 C ATOM 89 NZ LYS A 180 -2.398 -9.322 -2.869 1.00 0.00 N ATOM 0 H LYS A 180 3.208 -6.723 -6.822 1.00 0.00 H new ATOM 0 HA LYS A 180 1.799 -5.100 -5.078 1.00 0.00 H new ATOM 0 HB2 LYS A 180 1.040 -7.331 -5.901 1.00 0.00 H new ATOM 0 HB3 LYS A 180 2.250 -8.125 -4.912 1.00 0.00 H new ATOM 0 HG2 LYS A 180 1.206 -7.355 -2.851 1.00 0.00 H new ATOM 0 HG3 LYS A 180 0.161 -6.246 -3.716 1.00 0.00 H new ATOM 0 HD2 LYS A 180 -0.917 -8.221 -4.880 1.00 0.00 H new ATOM 0 HD3 LYS A 180 0.083 -9.299 -3.928 1.00 0.00 H new ATOM 0 HE2 LYS A 180 -0.866 -8.286 -1.818 1.00 0.00 H new ATOM 0 HE3 LYS A 180 -1.897 -7.256 -2.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 -3.071 -9.249 -2.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 -2.911 -9.243 -3.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 -1.912 -10.241 -2.826 1.00 0.00 H new ATOM 103 N GLN A 181 3.994 -6.868 -3.348 1.00 0.00 N ATOM 104 CA GLN A 181 4.744 -6.822 -2.068 1.00 0.00 C ATOM 105 C GLN A 181 5.669 -5.600 -2.043 1.00 0.00 C ATOM 106 O GLN A 181 5.742 -4.887 -1.064 1.00 0.00 O ATOM 107 CB GLN A 181 5.569 -8.105 -1.918 1.00 0.00 C ATOM 108 CG GLN A 181 6.188 -8.166 -0.516 1.00 0.00 C ATOM 109 CD GLN A 181 7.442 -7.287 -0.465 1.00 0.00 C ATOM 110 OE1 GLN A 181 8.482 -7.668 -0.963 1.00 0.00 O ATOM 111 NE2 GLN A 181 7.389 -6.117 0.111 1.00 0.00 N ATOM 0 H GLN A 181 4.152 -7.698 -3.920 1.00 0.00 H new ATOM 0 HA GLN A 181 4.040 -6.744 -1.240 1.00 0.00 H new ATOM 0 HB2 GLN A 181 4.936 -8.977 -2.084 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.354 -8.133 -2.673 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.465 -7.828 0.226 1.00 0.00 H new ATOM 0 HG3 GLN A 181 6.444 -9.196 -0.266 1.00 0.00 H new ATOM 0 HE21 GLN A 181 6.517 -5.794 0.530 1.00 0.00 H new ATOM 0 HE22 GLN A 181 8.220 -5.526 0.142 1.00 0.00 H new ATOM 120 N HIS A 182 6.368 -5.349 -3.115 1.00 0.00 N ATOM 121 CA HIS A 182 7.290 -4.182 -3.159 1.00 0.00 C ATOM 122 C HIS A 182 6.491 -2.881 -3.089 1.00 0.00 C ATOM 123 O HIS A 182 6.930 -1.903 -2.513 1.00 0.00 O ATOM 124 CB HIS A 182 8.088 -4.253 -4.459 1.00 0.00 C ATOM 125 CG HIS A 182 9.066 -3.120 -4.546 1.00 0.00 C ATOM 126 ND1 HIS A 182 9.875 -2.748 -3.487 1.00 0.00 N ATOM 127 CD2 HIS A 182 9.395 -2.288 -5.583 1.00 0.00 C ATOM 128 CE1 HIS A 182 10.648 -1.728 -3.907 1.00 0.00 C ATOM 129 NE2 HIS A 182 10.395 -1.406 -5.180 1.00 0.00 N ATOM 0 H HIS A 182 6.339 -5.907 -3.968 1.00 0.00 H new ATOM 0 HA HIS A 182 7.970 -4.204 -2.308 1.00 0.00 H new ATOM 0 HB2 HIS A 182 8.620 -5.203 -4.513 1.00 0.00 H new ATOM 0 HB3 HIS A 182 7.408 -4.219 -5.310 1.00 0.00 H new ATOM 0 HD2 HIS A 182 8.947 -2.312 -6.565 1.00 0.00 H new ATOM 0 HE1 HIS A 182 11.383 -1.231 -3.291 1.00 0.00 H new ATOM 0 HE2 HIS A 182 10.838 -0.674 -5.735 1.00 0.00 H new ATOM 137 N VAL A 183 5.323 -2.856 -3.662 1.00 0.00 N ATOM 138 CA VAL A 183 4.504 -1.620 -3.618 1.00 0.00 C ATOM 139 C VAL A 183 4.040 -1.378 -2.185 1.00 0.00 C ATOM 140 O VAL A 183 3.978 -0.252 -1.734 1.00 0.00 O ATOM 141 CB VAL A 183 3.297 -1.763 -4.556 1.00 0.00 C ATOM 142 CG1 VAL A 183 2.299 -0.624 -4.289 1.00 0.00 C ATOM 143 CG2 VAL A 183 3.782 -1.706 -6.021 1.00 0.00 C ATOM 0 H VAL A 183 4.901 -3.640 -4.159 1.00 0.00 H new ATOM 0 HA VAL A 183 5.100 -0.770 -3.949 1.00 0.00 H new ATOM 0 HB VAL A 183 2.802 -2.718 -4.376 1.00 0.00 H new ATOM 0 HG11 VAL A 183 1.443 -0.727 -4.956 1.00 0.00 H new ATOM 0 HG12 VAL A 183 1.961 -0.672 -3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 183 2.785 0.335 -4.468 1.00 0.00 H new ATOM 0 HG21 VAL A 183 2.928 -1.807 -6.691 1.00 0.00 H new ATOM 0 HG22 VAL A 183 4.276 -0.752 -6.204 1.00 0.00 H new ATOM 0 HG23 VAL A 183 4.485 -2.519 -6.203 1.00 0.00 H new ATOM 153 N LEU A 184 3.719 -2.410 -1.453 1.00 0.00 N ATOM 154 CA LEU A 184 3.275 -2.182 -0.055 1.00 0.00 C ATOM 155 C LEU A 184 4.385 -1.460 0.687 1.00 0.00 C ATOM 156 O LEU A 184 4.144 -0.551 1.454 1.00 0.00 O ATOM 157 CB LEU A 184 2.998 -3.518 0.631 1.00 0.00 C ATOM 158 CG LEU A 184 1.767 -4.182 0.011 1.00 0.00 C ATOM 159 CD1 LEU A 184 1.583 -5.568 0.632 1.00 0.00 C ATOM 160 CD2 LEU A 184 0.510 -3.330 0.259 1.00 0.00 C ATOM 0 H LEU A 184 3.745 -3.383 -1.758 1.00 0.00 H new ATOM 0 HA LEU A 184 2.362 -1.587 -0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 184 3.863 -4.173 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 184 2.838 -3.362 1.698 1.00 0.00 H new ATOM 0 HG LEU A 184 1.914 -4.273 -1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 184 0.707 -6.049 0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 184 2.466 -6.175 0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 184 1.444 -5.469 1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -0.355 -3.819 -0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 184 0.350 -3.221 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.643 -2.346 -0.189 1.00 0.00 H new ATOM 172 N ASP A 185 5.605 -1.844 0.449 1.00 0.00 N ATOM 173 CA ASP A 185 6.732 -1.167 1.133 1.00 0.00 C ATOM 174 C ASP A 185 6.638 0.334 0.842 1.00 0.00 C ATOM 175 O ASP A 185 6.829 1.157 1.713 1.00 0.00 O ATOM 176 CB ASP A 185 8.056 -1.714 0.598 1.00 0.00 C ATOM 177 CG ASP A 185 8.247 -3.156 1.073 1.00 0.00 C ATOM 178 OD1 ASP A 185 7.511 -3.576 1.950 1.00 0.00 O ATOM 179 OD2 ASP A 185 9.122 -3.820 0.542 1.00 0.00 O ATOM 0 H ASP A 185 5.868 -2.596 -0.188 1.00 0.00 H new ATOM 0 HA ASP A 185 6.685 -1.344 2.207 1.00 0.00 H new ATOM 0 HB2 ASP A 185 8.063 -1.676 -0.491 1.00 0.00 H new ATOM 0 HB3 ASP A 185 8.883 -1.094 0.944 1.00 0.00 H new ATOM 184 N MET A 186 6.329 0.691 -0.383 1.00 0.00 N ATOM 185 CA MET A 186 6.203 2.136 -0.735 1.00 0.00 C ATOM 186 C MET A 186 5.031 2.738 0.054 1.00 0.00 C ATOM 187 O MET A 186 5.070 3.882 0.463 1.00 0.00 O ATOM 188 CB MET A 186 5.936 2.289 -2.243 1.00 0.00 C ATOM 189 CG MET A 186 7.129 1.758 -3.049 1.00 0.00 C ATOM 190 SD MET A 186 8.545 2.866 -2.842 1.00 0.00 S ATOM 191 CE MET A 186 8.229 3.904 -4.291 1.00 0.00 C ATOM 0 H MET A 186 6.159 0.042 -1.151 1.00 0.00 H new ATOM 0 HA MET A 186 7.129 2.654 -0.485 1.00 0.00 H new ATOM 0 HB2 MET A 186 5.032 1.745 -2.517 1.00 0.00 H new ATOM 0 HB3 MET A 186 5.762 3.338 -2.484 1.00 0.00 H new ATOM 0 HG2 MET A 186 7.389 0.754 -2.714 1.00 0.00 H new ATOM 0 HG3 MET A 186 6.864 1.684 -4.104 1.00 0.00 H new ATOM 0 HE1 MET A 186 8.998 4.673 -4.362 1.00 0.00 H new ATOM 0 HE2 MET A 186 8.247 3.289 -5.190 1.00 0.00 H new ATOM 0 HE3 MET A 186 7.251 4.376 -4.194 1.00 0.00 H new ATOM 201 N LEU A 187 3.989 1.974 0.273 1.00 0.00 N ATOM 202 CA LEU A 187 2.822 2.504 1.041 1.00 0.00 C ATOM 203 C LEU A 187 3.252 2.772 2.478 1.00 0.00 C ATOM 204 O LEU A 187 2.923 3.790 3.052 1.00 0.00 O ATOM 205 CB LEU A 187 1.676 1.478 1.057 1.00 0.00 C ATOM 206 CG LEU A 187 1.212 1.130 -0.362 1.00 0.00 C ATOM 207 CD1 LEU A 187 -0.057 0.283 -0.260 1.00 0.00 C ATOM 208 CD2 LEU A 187 0.909 2.402 -1.164 1.00 0.00 C ATOM 0 H LEU A 187 3.897 1.010 -0.046 1.00 0.00 H new ATOM 0 HA LEU A 187 2.477 3.421 0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 187 2.005 0.572 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 187 0.837 1.877 1.627 1.00 0.00 H new ATOM 0 HG LEU A 187 2.003 0.582 -0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -0.403 0.025 -1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 187 0.158 -0.629 0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -0.832 0.849 0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 187 0.582 2.130 -2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 187 0.121 2.967 -0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 187 1.809 3.014 -1.229 1.00 0.00 H new ATOM 220 N PHE A 188 3.986 1.877 3.074 1.00 0.00 N ATOM 221 CA PHE A 188 4.411 2.122 4.474 1.00 0.00 C ATOM 222 C PHE A 188 5.225 3.421 4.530 1.00 0.00 C ATOM 223 O PHE A 188 5.053 4.220 5.426 1.00 0.00 O ATOM 224 CB PHE A 188 5.226 0.933 5.009 1.00 0.00 C ATOM 225 CG PHE A 188 4.291 -0.193 5.424 1.00 0.00 C ATOM 226 CD1 PHE A 188 3.668 -0.164 6.681 1.00 0.00 C ATOM 227 CD2 PHE A 188 4.045 -1.262 4.554 1.00 0.00 C ATOM 228 CE1 PHE A 188 2.804 -1.202 7.062 1.00 0.00 C ATOM 229 CE2 PHE A 188 3.182 -2.297 4.935 1.00 0.00 C ATOM 230 CZ PHE A 188 2.563 -2.268 6.188 1.00 0.00 C ATOM 0 H PHE A 188 4.305 1.001 2.660 1.00 0.00 H new ATOM 0 HA PHE A 188 3.531 2.226 5.109 1.00 0.00 H new ATOM 0 HB2 PHE A 188 5.916 0.580 4.243 1.00 0.00 H new ATOM 0 HB3 PHE A 188 5.829 1.248 5.860 1.00 0.00 H new ATOM 0 HD1 PHE A 188 3.854 0.658 7.356 1.00 0.00 H new ATOM 0 HD2 PHE A 188 4.522 -1.289 3.586 1.00 0.00 H new ATOM 0 HE1 PHE A 188 2.325 -1.178 8.030 1.00 0.00 H new ATOM 0 HE2 PHE A 188 2.994 -3.119 4.260 1.00 0.00 H new ATOM 0 HZ PHE A 188 1.899 -3.068 6.481 1.00 0.00 H new ATOM 240 N SER A 189 6.085 3.666 3.572 1.00 0.00 N ATOM 241 CA SER A 189 6.867 4.943 3.593 1.00 0.00 C ATOM 242 C SER A 189 5.887 6.117 3.509 1.00 0.00 C ATOM 243 O SER A 189 5.966 7.073 4.260 1.00 0.00 O ATOM 244 CB SER A 189 7.814 4.989 2.391 1.00 0.00 C ATOM 245 OG SER A 189 7.052 4.950 1.193 1.00 0.00 O ATOM 0 H SER A 189 6.279 3.046 2.785 1.00 0.00 H new ATOM 0 HA SER A 189 7.451 5.003 4.511 1.00 0.00 H new ATOM 0 HB2 SER A 189 8.417 5.896 2.423 1.00 0.00 H new ATOM 0 HB3 SER A 189 8.504 4.146 2.424 1.00 0.00 H new ATOM 0 HG SER A 189 6.322 4.304 1.291 1.00 0.00 H new ATOM 251 N ALA A 190 4.943 6.034 2.610 1.00 0.00 N ATOM 252 CA ALA A 190 3.935 7.120 2.481 1.00 0.00 C ATOM 253 C ALA A 190 3.142 7.185 3.776 1.00 0.00 C ATOM 254 O ALA A 190 2.962 8.235 4.352 1.00 0.00 O ATOM 255 CB ALA A 190 2.985 6.810 1.321 1.00 0.00 C ATOM 0 H ALA A 190 4.828 5.258 1.959 1.00 0.00 H new ATOM 0 HA ALA A 190 4.431 8.071 2.287 1.00 0.00 H new ATOM 0 HB1 ALA A 190 2.248 7.608 1.231 1.00 0.00 H new ATOM 0 HB2 ALA A 190 3.554 6.735 0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 190 2.475 5.866 1.511 1.00 0.00 H new ATOM 261 N PHE A 191 2.678 6.055 4.243 1.00 0.00 N ATOM 262 CA PHE A 191 1.906 6.046 5.513 1.00 0.00 C ATOM 263 C PHE A 191 2.835 6.377 6.678 1.00 0.00 C ATOM 264 O PHE A 191 2.393 6.775 7.735 1.00 0.00 O ATOM 265 CB PHE A 191 1.221 4.685 5.729 1.00 0.00 C ATOM 266 CG PHE A 191 -0.047 4.623 4.900 1.00 0.00 C ATOM 267 CD1 PHE A 191 -1.145 5.425 5.250 1.00 0.00 C ATOM 268 CD2 PHE A 191 -0.125 3.785 3.787 1.00 0.00 C ATOM 269 CE1 PHE A 191 -2.318 5.381 4.487 1.00 0.00 C ATOM 270 CE2 PHE A 191 -1.296 3.742 3.021 1.00 0.00 C ATOM 271 CZ PHE A 191 -2.391 4.539 3.370 1.00 0.00 C ATOM 0 H PHE A 191 2.801 5.145 3.800 1.00 0.00 H new ATOM 0 HA PHE A 191 1.124 6.803 5.457 1.00 0.00 H new ATOM 0 HB2 PHE A 191 1.895 3.877 5.444 1.00 0.00 H new ATOM 0 HB3 PHE A 191 0.986 4.547 6.784 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -1.085 6.077 6.109 1.00 0.00 H new ATOM 0 HD2 PHE A 191 0.719 3.169 3.516 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -3.164 5.995 4.759 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -1.354 3.093 2.160 1.00 0.00 H new ATOM 0 HZ PHE A 191 -3.294 4.505 2.778 1.00 0.00 H new ATOM 281 N GLU A 192 4.123 6.241 6.494 1.00 0.00 N ATOM 282 CA GLU A 192 5.058 6.581 7.602 1.00 0.00 C ATOM 283 C GLU A 192 4.994 8.088 7.855 1.00 0.00 C ATOM 284 O GLU A 192 5.231 8.552 8.950 1.00 0.00 O ATOM 285 CB GLU A 192 6.495 6.207 7.228 1.00 0.00 C ATOM 286 CG GLU A 192 7.405 6.380 8.443 1.00 0.00 C ATOM 287 CD GLU A 192 8.814 5.922 8.072 1.00 0.00 C ATOM 288 OE1 GLU A 192 8.958 4.773 7.688 1.00 0.00 O ATOM 289 OE2 GLU A 192 9.726 6.727 8.171 1.00 0.00 O ATOM 0 H GLU A 192 4.562 5.913 5.634 1.00 0.00 H new ATOM 0 HA GLU A 192 4.767 6.025 8.493 1.00 0.00 H new ATOM 0 HB2 GLU A 192 6.533 5.176 6.877 1.00 0.00 H new ATOM 0 HB3 GLU A 192 6.843 6.836 6.408 1.00 0.00 H new ATOM 0 HG2 GLU A 192 7.418 7.423 8.759 1.00 0.00 H new ATOM 0 HG3 GLU A 192 7.028 5.797 9.283 1.00 0.00 H new ATOM 296 N LYS A 193 4.691 8.866 6.844 1.00 0.00 N ATOM 297 CA LYS A 193 4.634 10.346 7.048 1.00 0.00 C ATOM 298 C LYS A 193 3.250 10.734 7.576 1.00 0.00 C ATOM 299 O LYS A 193 3.135 11.460 8.543 1.00 0.00 O ATOM 300 CB LYS A 193 4.904 11.047 5.717 1.00 0.00 C ATOM 301 CG LYS A 193 6.224 10.530 5.125 1.00 0.00 C ATOM 302 CD LYS A 193 6.751 11.509 4.055 1.00 0.00 C ATOM 303 CE LYS A 193 7.641 12.575 4.700 1.00 0.00 C ATOM 304 NZ LYS A 193 8.223 13.427 3.627 1.00 0.00 N ATOM 0 H LYS A 193 4.483 8.545 5.898 1.00 0.00 H new ATOM 0 HA LYS A 193 5.388 10.650 7.773 1.00 0.00 H new ATOM 0 HB2 LYS A 193 4.084 10.861 5.023 1.00 0.00 H new ATOM 0 HB3 LYS A 193 4.957 12.125 5.866 1.00 0.00 H new ATOM 0 HG2 LYS A 193 6.964 10.413 5.917 1.00 0.00 H new ATOM 0 HG3 LYS A 193 6.071 9.545 4.683 1.00 0.00 H new ATOM 0 HD2 LYS A 193 7.316 10.963 3.300 1.00 0.00 H new ATOM 0 HD3 LYS A 193 5.914 11.985 3.545 1.00 0.00 H new ATOM 0 HE2 LYS A 193 7.059 13.184 5.392 1.00 0.00 H new ATOM 0 HE3 LYS A 193 8.435 12.104 5.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 193 8.830 14.156 4.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 193 8.789 12.837 2.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 193 7.457 13.884 3.093 1.00 0.00 H new ATOM 318 N HIS A 194 2.196 10.235 6.973 1.00 0.00 N ATOM 319 CA HIS A 194 0.817 10.563 7.462 1.00 0.00 C ATOM 320 C HIS A 194 -0.063 9.315 7.418 1.00 0.00 C ATOM 321 O HIS A 194 0.087 8.452 6.589 1.00 0.00 O ATOM 322 CB HIS A 194 0.174 11.633 6.579 1.00 0.00 C ATOM 323 CG HIS A 194 0.815 12.965 6.815 1.00 0.00 C ATOM 324 ND1 HIS A 194 1.644 13.223 7.894 1.00 0.00 N ATOM 325 CD2 HIS A 194 0.738 14.132 6.113 1.00 0.00 C ATOM 326 CE1 HIS A 194 2.031 14.508 7.807 1.00 0.00 C ATOM 327 NE2 HIS A 194 1.506 15.111 6.737 1.00 0.00 N ATOM 0 H HIS A 194 2.231 9.615 6.164 1.00 0.00 H new ATOM 0 HA HIS A 194 0.901 10.931 8.484 1.00 0.00 H new ATOM 0 HB2 HIS A 194 0.275 11.355 5.530 1.00 0.00 H new ATOM 0 HB3 HIS A 194 -0.893 11.694 6.791 1.00 0.00 H new ATOM 0 HD1 HIS A 194 1.912 12.560 8.621 1.00 0.00 H new ATOM 0 HD2 HIS A 194 0.166 14.275 5.208 1.00 0.00 H new ATOM 0 HE1 HIS A 194 2.686 14.993 8.516 1.00 0.00 H new ATOM 335 N GLN A 195 -0.979 9.219 8.327 1.00 0.00 N ATOM 336 CA GLN A 195 -1.877 8.036 8.375 1.00 0.00 C ATOM 337 C GLN A 195 -2.845 8.025 7.176 1.00 0.00 C ATOM 338 O GLN A 195 -3.464 7.021 6.892 1.00 0.00 O ATOM 339 CB GLN A 195 -2.668 8.095 9.690 1.00 0.00 C ATOM 340 CG GLN A 195 -3.414 6.779 9.924 1.00 0.00 C ATOM 341 CD GLN A 195 -2.404 5.656 10.149 1.00 0.00 C ATOM 342 OE1 GLN A 195 -1.795 5.574 11.194 1.00 0.00 O ATOM 343 NE2 GLN A 195 -2.190 4.791 9.197 1.00 0.00 N ATOM 0 H GLN A 195 -1.150 9.917 9.051 1.00 0.00 H new ATOM 0 HA GLN A 195 -1.283 7.124 8.324 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -1.990 8.289 10.521 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -3.378 8.922 9.658 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -4.072 6.870 10.788 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -4.045 6.549 9.066 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -2.704 4.862 8.319 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -1.509 4.043 9.331 1.00 0.00 H new ATOM 352 N TYR A 196 -3.014 9.138 6.491 1.00 0.00 N ATOM 353 CA TYR A 196 -3.993 9.185 5.342 1.00 0.00 C ATOM 354 C TYR A 196 -3.325 9.523 4.000 1.00 0.00 C ATOM 355 O TYR A 196 -2.474 10.381 3.906 1.00 0.00 O ATOM 356 CB TYR A 196 -5.018 10.280 5.625 1.00 0.00 C ATOM 357 CG TYR A 196 -5.752 9.977 6.906 1.00 0.00 C ATOM 358 CD1 TYR A 196 -6.843 9.103 6.896 1.00 0.00 C ATOM 359 CD2 TYR A 196 -5.345 10.578 8.105 1.00 0.00 C ATOM 360 CE1 TYR A 196 -7.533 8.826 8.077 1.00 0.00 C ATOM 361 CE2 TYR A 196 -6.038 10.301 9.293 1.00 0.00 C ATOM 362 CZ TYR A 196 -7.133 9.425 9.279 1.00 0.00 C ATOM 363 OH TYR A 196 -7.815 9.152 10.448 1.00 0.00 O ATOM 0 H TYR A 196 -2.521 10.012 6.674 1.00 0.00 H new ATOM 0 HA TYR A 196 -4.442 8.195 5.262 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -4.519 11.246 5.701 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -5.725 10.351 4.798 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -7.153 8.640 5.971 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -4.501 11.252 8.114 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -8.375 8.150 8.065 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -5.728 10.763 10.219 1.00 0.00 H new ATOM 0 HH TYR A 196 -7.407 9.648 11.188 1.00 0.00 H new ATOM 373 N TYR A 197 -3.770 8.876 2.950 1.00 0.00 N ATOM 374 CA TYR A 197 -3.247 9.164 1.575 1.00 0.00 C ATOM 375 C TYR A 197 -4.360 8.918 0.555 1.00 0.00 C ATOM 376 O TYR A 197 -4.994 7.882 0.553 1.00 0.00 O ATOM 377 CB TYR A 197 -2.024 8.286 1.256 1.00 0.00 C ATOM 378 CG TYR A 197 -0.771 8.933 1.804 1.00 0.00 C ATOM 379 CD1 TYR A 197 -0.438 8.817 3.155 1.00 0.00 C ATOM 380 CD2 TYR A 197 0.054 9.668 0.940 1.00 0.00 C ATOM 381 CE1 TYR A 197 0.722 9.431 3.640 1.00 0.00 C ATOM 382 CE2 TYR A 197 1.212 10.278 1.427 1.00 0.00 C ATOM 383 CZ TYR A 197 1.546 10.162 2.776 1.00 0.00 C ATOM 384 OH TYR A 197 2.687 10.765 3.252 1.00 0.00 O ATOM 0 H TYR A 197 -4.485 8.149 2.987 1.00 0.00 H new ATOM 0 HA TYR A 197 -2.929 10.205 1.526 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.153 7.295 1.692 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -1.933 8.151 0.178 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -1.074 8.255 3.823 1.00 0.00 H new ATOM 0 HD2 TYR A 197 -0.207 9.762 -0.104 1.00 0.00 H new ATOM 0 HE1 TYR A 197 0.982 9.341 4.684 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.849 10.839 0.759 1.00 0.00 H new ATOM 0 HH TYR A 197 3.142 11.230 2.519 1.00 0.00 H new ATOM 394 N ASN A 198 -4.604 9.867 -0.313 1.00 0.00 N ATOM 395 CA ASN A 198 -5.682 9.690 -1.330 1.00 0.00 C ATOM 396 C ASN A 198 -5.114 9.014 -2.579 1.00 0.00 C ATOM 397 O ASN A 198 -3.915 8.873 -2.737 1.00 0.00 O ATOM 398 CB ASN A 198 -6.287 11.050 -1.698 1.00 0.00 C ATOM 399 CG ASN A 198 -5.306 11.856 -2.551 1.00 0.00 C ATOM 400 OD1 ASN A 198 -4.116 11.618 -2.520 1.00 0.00 O ATOM 401 ND2 ASN A 198 -5.767 12.801 -3.324 1.00 0.00 N ATOM 0 H ASN A 198 -4.104 10.755 -0.361 1.00 0.00 H new ATOM 0 HA ASN A 198 -6.465 9.059 -0.910 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -7.219 10.905 -2.244 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -6.531 11.604 -0.792 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -5.127 13.342 -3.905 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -6.768 12.998 -3.347 1.00 0.00 H new ATOM 408 N LEU A 199 -5.971 8.596 -3.462 1.00 0.00 N ATOM 409 CA LEU A 199 -5.509 7.917 -4.705 1.00 0.00 C ATOM 410 C LEU A 199 -4.530 8.812 -5.478 1.00 0.00 C ATOM 411 O LEU A 199 -3.516 8.359 -5.972 1.00 0.00 O ATOM 412 CB LEU A 199 -6.722 7.676 -5.597 1.00 0.00 C ATOM 413 CG LEU A 199 -7.706 6.713 -4.918 1.00 0.00 C ATOM 414 CD1 LEU A 199 -9.040 6.776 -5.661 1.00 0.00 C ATOM 415 CD2 LEU A 199 -7.173 5.267 -4.949 1.00 0.00 C ATOM 0 H LEU A 199 -6.983 8.695 -3.377 1.00 0.00 H new ATOM 0 HA LEU A 199 -5.013 6.984 -4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.219 8.623 -5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -6.401 7.263 -6.553 1.00 0.00 H new ATOM 0 HG LEU A 199 -7.831 7.009 -3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -9.751 6.097 -5.191 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -9.430 7.793 -5.623 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -8.892 6.483 -6.700 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -7.889 4.605 -4.462 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -7.034 4.953 -5.983 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -6.219 5.220 -4.424 1.00 0.00 H new ATOM 427 N LYS A 200 -4.850 10.072 -5.620 1.00 0.00 N ATOM 428 CA LYS A 200 -3.967 10.989 -6.401 1.00 0.00 C ATOM 429 C LYS A 200 -2.564 11.058 -5.796 1.00 0.00 C ATOM 430 O LYS A 200 -1.576 11.036 -6.499 1.00 0.00 O ATOM 431 CB LYS A 200 -4.592 12.390 -6.436 1.00 0.00 C ATOM 432 CG LYS A 200 -3.812 13.313 -7.392 1.00 0.00 C ATOM 433 CD LYS A 200 -4.116 12.963 -8.857 1.00 0.00 C ATOM 434 CE LYS A 200 -3.621 14.097 -9.762 1.00 0.00 C ATOM 435 NZ LYS A 200 -4.318 15.365 -9.400 1.00 0.00 N ATOM 0 H LYS A 200 -5.686 10.506 -5.228 1.00 0.00 H new ATOM 0 HA LYS A 200 -3.875 10.599 -7.415 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -5.631 12.322 -6.757 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -4.595 12.817 -5.433 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -4.078 14.352 -7.199 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -2.742 13.218 -7.205 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -3.628 12.027 -9.128 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -5.187 12.815 -8.993 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -2.543 14.219 -9.653 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -3.810 13.851 -10.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -4.403 15.967 -10.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -5.266 15.147 -9.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -3.771 15.866 -8.671 1.00 0.00 H new ATOM 449 N ASP A 201 -2.449 11.156 -4.512 1.00 0.00 N ATOM 450 CA ASP A 201 -1.090 11.229 -3.924 1.00 0.00 C ATOM 451 C ASP A 201 -0.383 9.892 -4.103 1.00 0.00 C ATOM 452 O ASP A 201 0.805 9.838 -4.334 1.00 0.00 O ATOM 453 CB ASP A 201 -1.178 11.579 -2.441 1.00 0.00 C ATOM 454 CG ASP A 201 -1.588 13.044 -2.289 1.00 0.00 C ATOM 455 OD1 ASP A 201 -1.457 13.779 -3.254 1.00 0.00 O ATOM 456 OD2 ASP A 201 -2.025 13.408 -1.210 1.00 0.00 O ATOM 0 H ASP A 201 -3.223 11.189 -3.849 1.00 0.00 H new ATOM 0 HA ASP A 201 -0.521 12.007 -4.434 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -1.904 10.934 -1.946 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -0.216 11.407 -1.958 1.00 0.00 H new ATOM 461 N LEU A 202 -1.097 8.812 -3.980 1.00 0.00 N ATOM 462 CA LEU A 202 -0.449 7.479 -4.123 1.00 0.00 C ATOM 463 C LEU A 202 0.138 7.287 -5.524 1.00 0.00 C ATOM 464 O LEU A 202 1.207 6.731 -5.677 1.00 0.00 O ATOM 465 CB LEU A 202 -1.473 6.377 -3.839 1.00 0.00 C ATOM 466 CG LEU A 202 -1.790 6.337 -2.335 1.00 0.00 C ATOM 467 CD1 LEU A 202 -2.960 5.373 -2.092 1.00 0.00 C ATOM 468 CD2 LEU A 202 -0.546 5.875 -1.531 1.00 0.00 C ATOM 0 H LEU A 202 -2.098 8.792 -3.787 1.00 0.00 H new ATOM 0 HA LEU A 202 0.369 7.422 -3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 202 -2.385 6.560 -4.408 1.00 0.00 H new ATOM 0 HB3 LEU A 202 -1.083 5.412 -4.164 1.00 0.00 H new ATOM 0 HG LEU A 202 -2.063 7.337 -1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 202 -3.189 5.340 -1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 202 -3.836 5.718 -2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 202 -2.686 4.375 -2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 202 -0.787 5.852 -0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 202 -0.251 4.878 -1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.276 6.570 -1.701 1.00 0.00 H new ATOM 480 N VAL A 203 -0.531 7.720 -6.551 1.00 0.00 N ATOM 481 CA VAL A 203 0.039 7.521 -7.910 1.00 0.00 C ATOM 482 C VAL A 203 1.345 8.298 -8.043 1.00 0.00 C ATOM 483 O VAL A 203 2.295 7.829 -8.635 1.00 0.00 O ATOM 484 CB VAL A 203 -0.959 7.953 -8.981 1.00 0.00 C ATOM 485 CG1 VAL A 203 -2.090 6.927 -9.056 1.00 0.00 C ATOM 486 CG2 VAL A 203 -1.553 9.305 -8.614 1.00 0.00 C ATOM 0 H VAL A 203 -1.433 8.195 -6.513 1.00 0.00 H new ATOM 0 HA VAL A 203 0.246 6.461 -8.053 1.00 0.00 H new ATOM 0 HB VAL A 203 -0.447 8.023 -9.941 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -2.806 7.230 -9.820 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -1.679 5.950 -9.312 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -2.592 6.868 -8.090 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -2.265 9.610 -9.381 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -2.064 9.229 -7.654 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -0.756 10.045 -8.544 1.00 0.00 H new ATOM 496 N ASP A 204 1.421 9.476 -7.492 1.00 0.00 N ATOM 497 CA ASP A 204 2.695 10.236 -7.608 1.00 0.00 C ATOM 498 C ASP A 204 3.821 9.392 -7.015 1.00 0.00 C ATOM 499 O ASP A 204 4.890 9.269 -7.582 1.00 0.00 O ATOM 500 CB ASP A 204 2.583 11.549 -6.830 1.00 0.00 C ATOM 501 CG ASP A 204 3.778 12.442 -7.169 1.00 0.00 C ATOM 502 OD1 ASP A 204 4.688 11.955 -7.821 1.00 0.00 O ATOM 503 OD2 ASP A 204 3.763 13.594 -6.769 1.00 0.00 O ATOM 0 H ASP A 204 0.672 9.938 -6.976 1.00 0.00 H new ATOM 0 HA ASP A 204 2.901 10.457 -8.655 1.00 0.00 H new ATOM 0 HB2 ASP A 204 1.652 12.056 -7.083 1.00 0.00 H new ATOM 0 HB3 ASP A 204 2.556 11.349 -5.759 1.00 0.00 H new ATOM 508 N ILE A 205 3.576 8.800 -5.881 1.00 0.00 N ATOM 509 CA ILE A 205 4.608 7.946 -5.231 1.00 0.00 C ATOM 510 C ILE A 205 4.788 6.666 -6.056 1.00 0.00 C ATOM 511 O ILE A 205 5.800 5.998 -5.979 1.00 0.00 O ATOM 512 CB ILE A 205 4.141 7.589 -3.819 1.00 0.00 C ATOM 513 CG1 ILE A 205 3.763 8.871 -3.068 1.00 0.00 C ATOM 514 CG2 ILE A 205 5.267 6.876 -3.062 1.00 0.00 C ATOM 515 CD1 ILE A 205 3.296 8.518 -1.651 1.00 0.00 C ATOM 0 H ILE A 205 2.696 8.872 -5.371 1.00 0.00 H new ATOM 0 HA ILE A 205 5.557 8.479 -5.176 1.00 0.00 H new ATOM 0 HB ILE A 205 3.276 6.930 -3.885 1.00 0.00 H new ATOM 0 HG12 ILE A 205 4.619 9.544 -3.023 1.00 0.00 H new ATOM 0 HG13 ILE A 205 2.972 9.398 -3.602 1.00 0.00 H new ATOM 0 HG21 ILE A 205 4.928 6.625 -2.057 1.00 0.00 H new ATOM 0 HG22 ILE A 205 5.540 5.963 -3.592 1.00 0.00 H new ATOM 0 HG23 ILE A 205 6.135 7.532 -2.998 1.00 0.00 H new ATOM 0 HD11 ILE A 205 3.028 9.430 -1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 205 2.427 7.862 -1.707 1.00 0.00 H new ATOM 0 HD13 ILE A 205 4.100 8.010 -1.119 1.00 0.00 H new ATOM 527 N THR A 206 3.797 6.320 -6.840 1.00 0.00 N ATOM 528 CA THR A 206 3.869 5.084 -7.674 1.00 0.00 C ATOM 529 C THR A 206 3.180 5.337 -9.016 1.00 0.00 C ATOM 530 O THR A 206 1.992 5.540 -9.091 1.00 0.00 O ATOM 531 CB THR A 206 3.147 3.946 -6.949 1.00 0.00 C ATOM 532 OG1 THR A 206 1.820 4.348 -6.641 1.00 0.00 O ATOM 533 CG2 THR A 206 3.893 3.595 -5.667 1.00 0.00 C ATOM 0 H THR A 206 2.931 6.850 -6.938 1.00 0.00 H new ATOM 0 HA THR A 206 4.912 4.816 -7.841 1.00 0.00 H new ATOM 0 HB THR A 206 3.117 3.067 -7.593 1.00 0.00 H new ATOM 0 HG1 THR A 206 1.844 5.106 -6.020 1.00 0.00 H new ATOM 0 HG21 THR A 206 3.375 2.784 -5.155 1.00 0.00 H new ATOM 0 HG22 THR A 206 4.908 3.280 -5.911 1.00 0.00 H new ATOM 0 HG23 THR A 206 3.931 4.469 -5.017 1.00 0.00 H new ATOM 541 N LYS A 207 3.927 5.317 -10.075 1.00 0.00 N ATOM 542 CA LYS A 207 3.339 5.554 -11.424 1.00 0.00 C ATOM 543 C LYS A 207 2.592 4.305 -11.892 1.00 0.00 C ATOM 544 O LYS A 207 2.303 4.146 -13.061 1.00 0.00 O ATOM 545 CB LYS A 207 4.462 5.867 -12.411 1.00 0.00 C ATOM 546 CG LYS A 207 5.064 7.234 -12.098 1.00 0.00 C ATOM 547 CD LYS A 207 6.150 7.537 -13.125 1.00 0.00 C ATOM 548 CE LYS A 207 6.776 8.898 -12.827 1.00 0.00 C ATOM 549 NZ LYS A 207 7.540 8.827 -11.551 1.00 0.00 N ATOM 0 H LYS A 207 4.932 5.145 -10.069 1.00 0.00 H new ATOM 0 HA LYS A 207 2.643 6.391 -11.373 1.00 0.00 H new ATOM 0 HB2 LYS A 207 5.233 5.099 -12.353 1.00 0.00 H new ATOM 0 HB3 LYS A 207 4.076 5.855 -13.430 1.00 0.00 H new ATOM 0 HG2 LYS A 207 4.292 8.003 -12.127 1.00 0.00 H new ATOM 0 HG3 LYS A 207 5.483 7.241 -11.092 1.00 0.00 H new ATOM 0 HD2 LYS A 207 6.915 6.761 -13.099 1.00 0.00 H new ATOM 0 HD3 LYS A 207 5.726 7.533 -14.129 1.00 0.00 H new ATOM 0 HE2 LYS A 207 7.437 9.192 -13.642 1.00 0.00 H new ATOM 0 HE3 LYS A 207 5.999 9.659 -12.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 8.190 9.637 -11.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 6.879 8.853 -10.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 8.086 7.942 -11.522 1.00 0.00 H new ATOM 563 N GLN A 208 2.276 3.414 -10.992 1.00 0.00 N ATOM 564 CA GLN A 208 1.551 2.179 -11.397 1.00 0.00 C ATOM 565 C GLN A 208 0.056 2.518 -11.536 1.00 0.00 C ATOM 566 O GLN A 208 -0.436 3.412 -10.878 1.00 0.00 O ATOM 567 CB GLN A 208 1.746 1.099 -10.317 1.00 0.00 C ATOM 568 CG GLN A 208 3.202 0.608 -10.314 1.00 0.00 C ATOM 569 CD GLN A 208 4.110 1.646 -9.650 1.00 0.00 C ATOM 570 OE1 GLN A 208 4.427 2.660 -10.236 1.00 0.00 O ATOM 571 NE2 GLN A 208 4.554 1.426 -8.441 1.00 0.00 N ATOM 0 H GLN A 208 2.488 3.488 -9.997 1.00 0.00 H new ATOM 0 HA GLN A 208 1.935 1.804 -12.346 1.00 0.00 H new ATOM 0 HB2 GLN A 208 1.489 1.503 -9.338 1.00 0.00 H new ATOM 0 HB3 GLN A 208 1.073 0.262 -10.503 1.00 0.00 H new ATOM 0 HG2 GLN A 208 3.272 -0.341 -9.782 1.00 0.00 H new ATOM 0 HG3 GLN A 208 3.534 0.425 -11.336 1.00 0.00 H new ATOM 0 HE21 GLN A 208 4.288 0.574 -7.947 1.00 0.00 H new ATOM 0 HE22 GLN A 208 5.166 2.106 -7.991 1.00 0.00 H new ATOM 580 N PRO A 209 -0.663 1.825 -12.393 1.00 0.00 N ATOM 581 CA PRO A 209 -2.122 2.090 -12.612 1.00 0.00 C ATOM 582 C PRO A 209 -2.928 2.041 -11.300 1.00 0.00 C ATOM 583 O PRO A 209 -2.721 1.184 -10.464 1.00 0.00 O ATOM 584 CB PRO A 209 -2.558 0.973 -13.591 1.00 0.00 C ATOM 585 CG PRO A 209 -1.458 -0.044 -13.557 1.00 0.00 C ATOM 586 CD PRO A 209 -0.183 0.724 -13.244 1.00 0.00 C ATOM 0 HA PRO A 209 -2.303 3.090 -13.005 1.00 0.00 H new ATOM 0 HB2 PRO A 209 -3.508 0.533 -13.286 1.00 0.00 H new ATOM 0 HB3 PRO A 209 -2.697 1.366 -14.598 1.00 0.00 H new ATOM 0 HG2 PRO A 209 -1.652 -0.803 -12.799 1.00 0.00 H new ATOM 0 HG3 PRO A 209 -1.376 -0.562 -14.513 1.00 0.00 H new ATOM 0 HD2 PRO A 209 0.547 0.102 -12.726 1.00 0.00 H new ATOM 0 HD3 PRO A 209 0.299 1.094 -14.149 1.00 0.00 H new ATOM 594 N VAL A 210 -3.845 2.965 -11.122 1.00 0.00 N ATOM 595 CA VAL A 210 -4.664 2.988 -9.877 1.00 0.00 C ATOM 596 C VAL A 210 -5.440 1.691 -9.747 1.00 0.00 C ATOM 597 O VAL A 210 -5.523 1.099 -8.688 1.00 0.00 O ATOM 598 CB VAL A 210 -5.647 4.157 -9.920 1.00 0.00 C ATOM 599 CG1 VAL A 210 -4.867 5.461 -10.029 1.00 0.00 C ATOM 600 CG2 VAL A 210 -6.589 4.020 -11.122 1.00 0.00 C ATOM 0 H VAL A 210 -4.058 3.705 -11.791 1.00 0.00 H new ATOM 0 HA VAL A 210 -3.998 3.104 -9.022 1.00 0.00 H new ATOM 0 HB VAL A 210 -6.244 4.155 -9.008 1.00 0.00 H new ATOM 0 HG11 VAL A 210 -5.563 6.300 -10.060 1.00 0.00 H new ATOM 0 HG12 VAL A 210 -4.211 5.566 -9.165 1.00 0.00 H new ATOM 0 HG13 VAL A 210 -4.269 5.452 -10.940 1.00 0.00 H new ATOM 0 HG21 VAL A 210 -7.283 4.860 -11.138 1.00 0.00 H new ATOM 0 HG22 VAL A 210 -6.006 4.013 -12.043 1.00 0.00 H new ATOM 0 HG23 VAL A 210 -7.149 3.089 -11.041 1.00 0.00 H new ATOM 610 N VAL A 211 -6.021 1.253 -10.823 1.00 0.00 N ATOM 611 CA VAL A 211 -6.816 0.001 -10.792 1.00 0.00 C ATOM 612 C VAL A 211 -5.995 -1.083 -10.111 1.00 0.00 C ATOM 613 O VAL A 211 -6.511 -1.897 -9.374 1.00 0.00 O ATOM 614 CB VAL A 211 -7.147 -0.423 -12.228 1.00 0.00 C ATOM 615 CG1 VAL A 211 -8.118 -1.607 -12.213 1.00 0.00 C ATOM 616 CG2 VAL A 211 -7.782 0.755 -12.970 1.00 0.00 C ATOM 0 H VAL A 211 -5.979 1.714 -11.732 1.00 0.00 H new ATOM 0 HA VAL A 211 -7.744 0.158 -10.242 1.00 0.00 H new ATOM 0 HB VAL A 211 -6.230 -0.723 -12.736 1.00 0.00 H new ATOM 0 HG11 VAL A 211 -8.348 -1.902 -13.237 1.00 0.00 H new ATOM 0 HG12 VAL A 211 -7.661 -2.446 -11.688 1.00 0.00 H new ATOM 0 HG13 VAL A 211 -9.037 -1.317 -11.704 1.00 0.00 H new ATOM 0 HG21 VAL A 211 -8.019 0.457 -13.991 1.00 0.00 H new ATOM 0 HG22 VAL A 211 -8.696 1.057 -12.459 1.00 0.00 H new ATOM 0 HG23 VAL A 211 -7.084 1.592 -12.989 1.00 0.00 H new ATOM 626 N TYR A 212 -4.715 -1.094 -10.342 1.00 0.00 N ATOM 627 CA TYR A 212 -3.864 -2.121 -9.688 1.00 0.00 C ATOM 628 C TYR A 212 -3.659 -1.735 -8.220 1.00 0.00 C ATOM 629 O TYR A 212 -3.758 -2.560 -7.331 1.00 0.00 O ATOM 630 CB TYR A 212 -2.514 -2.189 -10.410 1.00 0.00 C ATOM 631 CG TYR A 212 -1.644 -3.276 -9.811 1.00 0.00 C ATOM 632 CD1 TYR A 212 -1.867 -4.622 -10.140 1.00 0.00 C ATOM 633 CD2 TYR A 212 -0.601 -2.935 -8.943 1.00 0.00 C ATOM 634 CE1 TYR A 212 -1.048 -5.623 -9.598 1.00 0.00 C ATOM 635 CE2 TYR A 212 0.215 -3.935 -8.399 1.00 0.00 C ATOM 636 CZ TYR A 212 -0.008 -5.278 -8.729 1.00 0.00 C ATOM 637 OH TYR A 212 0.795 -6.265 -8.201 1.00 0.00 O ATOM 0 H TYR A 212 -4.223 -0.440 -10.952 1.00 0.00 H new ATOM 0 HA TYR A 212 -4.344 -3.098 -9.739 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -2.672 -2.385 -11.471 1.00 0.00 H new ATOM 0 HB3 TYR A 212 -2.007 -1.227 -10.336 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -2.670 -4.887 -10.811 1.00 0.00 H new ATOM 0 HD2 TYR A 212 -0.425 -1.899 -8.692 1.00 0.00 H new ATOM 0 HE1 TYR A 212 -1.220 -6.659 -9.851 1.00 0.00 H new ATOM 0 HE2 TYR A 212 1.016 -3.671 -7.725 1.00 0.00 H new ATOM 0 HH TYR A 212 1.438 -6.561 -8.879 1.00 0.00 H new ATOM 647 N LEU A 213 -3.389 -0.482 -7.963 1.00 0.00 N ATOM 648 CA LEU A 213 -3.184 -0.026 -6.554 1.00 0.00 C ATOM 649 C LEU A 213 -4.492 -0.182 -5.785 1.00 0.00 C ATOM 650 O LEU A 213 -4.508 -0.560 -4.632 1.00 0.00 O ATOM 651 CB LEU A 213 -2.779 1.452 -6.534 1.00 0.00 C ATOM 652 CG LEU A 213 -1.425 1.640 -7.235 1.00 0.00 C ATOM 653 CD1 LEU A 213 -1.141 3.136 -7.399 1.00 0.00 C ATOM 654 CD2 LEU A 213 -0.300 0.987 -6.410 1.00 0.00 C ATOM 0 H LEU A 213 -3.301 0.248 -8.670 1.00 0.00 H new ATOM 0 HA LEU A 213 -2.397 -0.626 -6.096 1.00 0.00 H new ATOM 0 HB2 LEU A 213 -3.541 2.052 -7.031 1.00 0.00 H new ATOM 0 HB3 LEU A 213 -2.716 1.806 -5.505 1.00 0.00 H new ATOM 0 HG LEU A 213 -1.463 1.163 -8.215 1.00 0.00 H new ATOM 0 HD11 LEU A 213 -0.181 3.272 -7.896 1.00 0.00 H new ATOM 0 HD12 LEU A 213 -1.928 3.592 -7.999 1.00 0.00 H new ATOM 0 HD13 LEU A 213 -1.112 3.610 -6.418 1.00 0.00 H new ATOM 0 HD21 LEU A 213 0.653 1.128 -6.919 1.00 0.00 H new ATOM 0 HD22 LEU A 213 -0.257 1.449 -5.424 1.00 0.00 H new ATOM 0 HD23 LEU A 213 -0.499 -0.079 -6.303 1.00 0.00 H new ATOM 666 N LYS A 214 -5.588 0.133 -6.417 1.00 0.00 N ATOM 667 CA LYS A 214 -6.904 0.031 -5.733 1.00 0.00 C ATOM 668 C LYS A 214 -7.152 -1.410 -5.273 1.00 0.00 C ATOM 669 O LYS A 214 -7.616 -1.645 -4.176 1.00 0.00 O ATOM 670 CB LYS A 214 -8.020 0.452 -6.692 1.00 0.00 C ATOM 671 CG LYS A 214 -8.013 1.972 -6.905 1.00 0.00 C ATOM 672 CD LYS A 214 -9.330 2.374 -7.580 1.00 0.00 C ATOM 673 CE LYS A 214 -9.366 3.885 -7.805 1.00 0.00 C ATOM 674 NZ LYS A 214 -8.642 4.199 -9.064 1.00 0.00 N ATOM 0 H LYS A 214 -5.627 0.458 -7.383 1.00 0.00 H new ATOM 0 HA LYS A 214 -6.898 0.690 -4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 214 -7.893 -0.054 -7.649 1.00 0.00 H new ATOM 0 HB3 LYS A 214 -8.985 0.141 -6.292 1.00 0.00 H new ATOM 0 HG2 LYS A 214 -7.903 2.488 -5.951 1.00 0.00 H new ATOM 0 HG3 LYS A 214 -7.165 2.264 -7.525 1.00 0.00 H new ATOM 0 HD2 LYS A 214 -9.433 1.854 -8.533 1.00 0.00 H new ATOM 0 HD3 LYS A 214 -10.173 2.071 -6.959 1.00 0.00 H new ATOM 0 HE2 LYS A 214 -10.397 4.233 -7.866 1.00 0.00 H new ATOM 0 HE3 LYS A 214 -8.904 4.403 -6.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 214 -8.040 5.034 -8.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 214 -8.050 3.388 -9.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 214 -9.329 4.394 -9.820 1.00 0.00 H new ATOM 688 N GLU A 215 -6.851 -2.378 -6.097 1.00 0.00 N ATOM 689 CA GLU A 215 -7.085 -3.788 -5.677 1.00 0.00 C ATOM 690 C GLU A 215 -6.262 -4.069 -4.427 1.00 0.00 C ATOM 691 O GLU A 215 -6.716 -4.719 -3.506 1.00 0.00 O ATOM 692 CB GLU A 215 -6.663 -4.738 -6.798 1.00 0.00 C ATOM 693 CG GLU A 215 -7.623 -4.588 -7.982 1.00 0.00 C ATOM 694 CD GLU A 215 -8.960 -5.257 -7.651 1.00 0.00 C ATOM 695 OE1 GLU A 215 -8.960 -6.165 -6.836 1.00 0.00 O ATOM 696 OE2 GLU A 215 -9.959 -4.851 -8.219 1.00 0.00 O ATOM 0 H GLU A 215 -6.458 -2.256 -7.030 1.00 0.00 H new ATOM 0 HA GLU A 215 -8.143 -3.941 -5.466 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -5.643 -4.516 -7.112 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -6.669 -5.767 -6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -7.779 -3.532 -8.205 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -7.190 -5.041 -8.874 1.00 0.00 H new ATOM 703 N ILE A 216 -5.060 -3.565 -4.372 1.00 0.00 N ATOM 704 CA ILE A 216 -4.224 -3.789 -3.159 1.00 0.00 C ATOM 705 C ILE A 216 -4.840 -3.024 -1.986 1.00 0.00 C ATOM 706 O ILE A 216 -4.950 -3.529 -0.889 1.00 0.00 O ATOM 707 CB ILE A 216 -2.797 -3.279 -3.405 1.00 0.00 C ATOM 708 CG1 ILE A 216 -2.124 -4.140 -4.483 1.00 0.00 C ATOM 709 CG2 ILE A 216 -1.992 -3.351 -2.096 1.00 0.00 C ATOM 710 CD1 ILE A 216 -0.885 -3.421 -5.024 1.00 0.00 C ATOM 0 H ILE A 216 -4.623 -3.012 -5.109 1.00 0.00 H new ATOM 0 HA ILE A 216 -4.187 -4.855 -2.934 1.00 0.00 H new ATOM 0 HB ILE A 216 -2.832 -2.244 -3.745 1.00 0.00 H new ATOM 0 HG12 ILE A 216 -1.841 -5.106 -4.065 1.00 0.00 H new ATOM 0 HG13 ILE A 216 -2.825 -4.336 -5.294 1.00 0.00 H new ATOM 0 HG21 ILE A 216 -0.979 -2.989 -2.271 1.00 0.00 H new ATOM 0 HG22 ILE A 216 -2.473 -2.732 -1.339 1.00 0.00 H new ATOM 0 HG23 ILE A 216 -1.953 -4.384 -1.749 1.00 0.00 H new ATOM 0 HD11 ILE A 216 -0.412 -4.037 -5.789 1.00 0.00 H new ATOM 0 HD12 ILE A 216 -1.179 -2.466 -5.459 1.00 0.00 H new ATOM 0 HD13 ILE A 216 -0.181 -3.248 -4.210 1.00 0.00 H new ATOM 722 N LEU A 217 -5.249 -1.808 -2.215 1.00 0.00 N ATOM 723 CA LEU A 217 -5.862 -1.003 -1.124 1.00 0.00 C ATOM 724 C LEU A 217 -7.207 -1.621 -0.729 1.00 0.00 C ATOM 725 O LEU A 217 -7.600 -1.611 0.414 1.00 0.00 O ATOM 726 CB LEU A 217 -6.065 0.427 -1.622 1.00 0.00 C ATOM 727 CG LEU A 217 -4.692 1.059 -1.911 1.00 0.00 C ATOM 728 CD1 LEU A 217 -4.870 2.368 -2.693 1.00 0.00 C ATOM 729 CD2 LEU A 217 -3.936 1.341 -0.588 1.00 0.00 C ATOM 0 H LEU A 217 -5.184 -1.335 -3.116 1.00 0.00 H new ATOM 0 HA LEU A 217 -5.210 -0.994 -0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.677 0.428 -2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -6.599 1.013 -0.874 1.00 0.00 H new ATOM 0 HG LEU A 217 -4.108 0.359 -2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -3.893 2.808 -2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -5.375 2.162 -3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -5.468 3.064 -2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -2.967 1.788 -0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -4.520 2.027 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -3.789 0.406 -0.047 1.00 0.00 H new ATOM 741 N LYS A 218 -7.927 -2.166 -1.665 1.00 0.00 N ATOM 742 CA LYS A 218 -9.237 -2.784 -1.310 1.00 0.00 C ATOM 743 C LYS A 218 -9.012 -4.010 -0.418 1.00 0.00 C ATOM 744 O LYS A 218 -9.824 -4.328 0.425 1.00 0.00 O ATOM 745 CB LYS A 218 -9.988 -3.202 -2.575 1.00 0.00 C ATOM 746 CG LYS A 218 -10.561 -1.966 -3.278 1.00 0.00 C ATOM 747 CD LYS A 218 -11.089 -2.373 -4.654 1.00 0.00 C ATOM 748 CE LYS A 218 -11.807 -1.191 -5.308 1.00 0.00 C ATOM 749 NZ LYS A 218 -12.290 -1.594 -6.660 1.00 0.00 N ATOM 0 H LYS A 218 -7.672 -2.212 -2.651 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.833 -2.048 -0.770 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -9.315 -3.734 -3.248 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -10.793 -3.891 -2.319 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -11.363 -1.532 -2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -9.791 -1.202 -3.382 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -10.265 -2.704 -5.286 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -11.773 -3.216 -4.556 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -12.646 -0.873 -4.689 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -11.131 -0.340 -5.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -12.779 -0.792 -7.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -11.480 -1.877 -7.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -12.949 -2.394 -6.569 1.00 0.00 H new ATOM 763 N GLU A 219 -7.936 -4.721 -0.614 1.00 0.00 N ATOM 764 CA GLU A 219 -7.700 -5.940 0.214 1.00 0.00 C ATOM 765 C GLU A 219 -7.249 -5.565 1.629 1.00 0.00 C ATOM 766 O GLU A 219 -7.671 -6.173 2.592 1.00 0.00 O ATOM 767 CB GLU A 219 -6.619 -6.803 -0.441 1.00 0.00 C ATOM 768 CG GLU A 219 -7.154 -7.425 -1.732 1.00 0.00 C ATOM 769 CD GLU A 219 -8.265 -8.431 -1.413 1.00 0.00 C ATOM 770 OE1 GLU A 219 -8.387 -8.804 -0.258 1.00 0.00 O ATOM 771 OE2 GLU A 219 -8.974 -8.811 -2.331 1.00 0.00 O ATOM 0 H GLU A 219 -7.215 -4.514 -1.305 1.00 0.00 H new ATOM 0 HA GLU A 219 -8.637 -6.493 0.280 1.00 0.00 H new ATOM 0 HB2 GLU A 219 -5.740 -6.196 -0.658 1.00 0.00 H new ATOM 0 HB3 GLU A 219 -6.303 -7.588 0.246 1.00 0.00 H new ATOM 0 HG2 GLU A 219 -7.538 -6.644 -2.389 1.00 0.00 H new ATOM 0 HG3 GLU A 219 -6.345 -7.923 -2.267 1.00 0.00 H new ATOM 778 N ILE A 220 -6.377 -4.593 1.767 1.00 0.00 N ATOM 779 CA ILE A 220 -5.874 -4.205 3.131 1.00 0.00 C ATOM 780 C ILE A 220 -6.117 -2.722 3.405 1.00 0.00 C ATOM 781 O ILE A 220 -5.911 -2.252 4.500 1.00 0.00 O ATOM 782 CB ILE A 220 -4.366 -4.473 3.192 1.00 0.00 C ATOM 783 CG1 ILE A 220 -3.643 -3.637 2.115 1.00 0.00 C ATOM 784 CG2 ILE A 220 -4.096 -5.961 2.947 1.00 0.00 C ATOM 785 CD1 ILE A 220 -2.132 -3.688 2.337 1.00 0.00 C ATOM 0 H ILE A 220 -5.990 -4.050 0.995 1.00 0.00 H new ATOM 0 HA ILE A 220 -6.408 -4.791 3.879 1.00 0.00 H new ATOM 0 HB ILE A 220 -3.994 -4.193 4.178 1.00 0.00 H new ATOM 0 HG12 ILE A 220 -3.886 -4.019 1.123 1.00 0.00 H new ATOM 0 HG13 ILE A 220 -3.989 -2.604 2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 220 -3.023 -6.148 2.991 1.00 0.00 H new ATOM 0 HG22 ILE A 220 -4.599 -6.553 3.712 1.00 0.00 H new ATOM 0 HG23 ILE A 220 -4.473 -6.242 1.964 1.00 0.00 H new ATOM 0 HD11 ILE A 220 -1.632 -3.095 1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 220 -1.895 -3.284 3.321 1.00 0.00 H new ATOM 0 HD13 ILE A 220 -1.790 -4.721 2.277 1.00 0.00 H new ATOM 797 N GLY A 221 -6.508 -1.970 2.420 1.00 0.00 N ATOM 798 CA GLY A 221 -6.716 -0.508 2.638 1.00 0.00 C ATOM 799 C GLY A 221 -8.118 -0.232 3.167 1.00 0.00 C ATOM 800 O GLY A 221 -8.900 -1.125 3.416 1.00 0.00 O ATOM 0 H GLY A 221 -6.694 -2.300 1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 221 -5.976 -0.133 3.345 1.00 0.00 H new ATOM 0 HA3 GLY A 221 -6.564 0.029 1.702 1.00 0.00 H new ATOM 804 N VAL A 222 -8.432 1.022 3.318 1.00 0.00 N ATOM 805 CA VAL A 222 -9.777 1.436 3.807 1.00 0.00 C ATOM 806 C VAL A 222 -10.167 2.685 3.014 1.00 0.00 C ATOM 807 O VAL A 222 -9.391 3.171 2.233 1.00 0.00 O ATOM 808 CB VAL A 222 -9.716 1.752 5.318 1.00 0.00 C ATOM 809 CG1 VAL A 222 -11.094 2.225 5.801 1.00 0.00 C ATOM 810 CG2 VAL A 222 -9.297 0.492 6.099 1.00 0.00 C ATOM 0 H VAL A 222 -7.799 1.796 3.119 1.00 0.00 H new ATOM 0 HA VAL A 222 -10.511 0.643 3.667 1.00 0.00 H new ATOM 0 HB VAL A 222 -8.982 2.540 5.490 1.00 0.00 H new ATOM 0 HG11 VAL A 222 -11.049 2.447 6.867 1.00 0.00 H new ATOM 0 HG12 VAL A 222 -11.383 3.123 5.255 1.00 0.00 H new ATOM 0 HG13 VAL A 222 -11.830 1.441 5.625 1.00 0.00 H new ATOM 0 HG21 VAL A 222 -9.256 0.721 7.164 1.00 0.00 H new ATOM 0 HG22 VAL A 222 -10.024 -0.302 5.926 1.00 0.00 H new ATOM 0 HG23 VAL A 222 -8.314 0.164 5.760 1.00 0.00 H new ATOM 820 N GLN A 223 -11.352 3.203 3.185 1.00 0.00 N ATOM 821 CA GLN A 223 -11.763 4.422 2.413 1.00 0.00 C ATOM 822 C GLN A 223 -12.573 5.345 3.318 1.00 0.00 C ATOM 823 O GLN A 223 -13.234 4.908 4.238 1.00 0.00 O ATOM 824 CB GLN A 223 -12.626 4.005 1.207 1.00 0.00 C ATOM 825 CG GLN A 223 -13.131 5.245 0.452 1.00 0.00 C ATOM 826 CD GLN A 223 -11.946 6.078 -0.036 1.00 0.00 C ATOM 827 OE1 GLN A 223 -11.232 5.672 -0.928 1.00 0.00 O ATOM 828 NE2 GLN A 223 -11.707 7.237 0.514 1.00 0.00 N ATOM 0 H GLN A 223 -12.058 2.839 3.825 1.00 0.00 H new ATOM 0 HA GLN A 223 -10.873 4.943 2.059 1.00 0.00 H new ATOM 0 HB2 GLN A 223 -12.043 3.375 0.535 1.00 0.00 H new ATOM 0 HB3 GLN A 223 -13.473 3.409 1.547 1.00 0.00 H new ATOM 0 HG2 GLN A 223 -13.745 4.940 -0.395 1.00 0.00 H new ATOM 0 HG3 GLN A 223 -13.764 5.846 1.105 1.00 0.00 H new ATOM 0 HE21 GLN A 223 -12.307 7.579 1.264 1.00 0.00 H new ATOM 0 HE22 GLN A 223 -10.920 7.801 0.194 1.00 0.00 H new ATOM 837 N ASN A 224 -12.528 6.623 3.056 1.00 0.00 N ATOM 838 CA ASN A 224 -13.295 7.587 3.890 1.00 0.00 C ATOM 839 C ASN A 224 -13.618 8.818 3.031 1.00 0.00 C ATOM 840 O ASN A 224 -12.727 9.474 2.520 1.00 0.00 O ATOM 841 CB ASN A 224 -12.441 8.023 5.093 1.00 0.00 C ATOM 842 CG ASN A 224 -11.630 6.835 5.612 1.00 0.00 C ATOM 843 OD1 ASN A 224 -12.038 6.154 6.532 1.00 0.00 O ATOM 844 ND2 ASN A 224 -10.481 6.565 5.053 1.00 0.00 N ATOM 0 H ASN A 224 -11.990 7.041 2.297 1.00 0.00 H new ATOM 0 HA ASN A 224 -14.212 7.121 4.250 1.00 0.00 H new ATOM 0 HB2 ASN A 224 -11.771 8.832 4.801 1.00 0.00 H new ATOM 0 HB3 ASN A 224 -13.083 8.410 5.884 1.00 0.00 H new ATOM 0 HD21 ASN A 224 -9.923 5.780 5.388 1.00 0.00 H new ATOM 0 HD22 ASN A 224 -10.142 7.139 4.281 1.00 0.00 H new ATOM 851 N VAL A 225 -14.878 9.141 2.872 1.00 0.00 N ATOM 852 CA VAL A 225 -15.260 10.339 2.059 1.00 0.00 C ATOM 853 C VAL A 225 -15.589 11.486 3.026 1.00 0.00 C ATOM 854 O VAL A 225 -16.374 11.333 3.941 1.00 0.00 O ATOM 855 CB VAL A 225 -16.477 10.010 1.180 1.00 0.00 C ATOM 856 CG1 VAL A 225 -16.103 8.926 0.165 1.00 0.00 C ATOM 857 CG2 VAL A 225 -17.623 9.499 2.049 1.00 0.00 C ATOM 0 H VAL A 225 -15.662 8.625 3.272 1.00 0.00 H new ATOM 0 HA VAL A 225 -14.440 10.631 1.403 1.00 0.00 H new ATOM 0 HB VAL A 225 -16.788 10.915 0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -16.968 8.695 -0.456 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -15.288 9.283 -0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -15.786 8.027 0.693 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -18.482 9.268 1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -17.307 8.599 2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -17.900 10.265 2.773 1.00 0.00 H new ATOM 867 N LYS A 226 -14.968 12.627 2.852 1.00 0.00 N ATOM 868 CA LYS A 226 -15.214 13.782 3.779 1.00 0.00 C ATOM 869 C LYS A 226 -16.273 14.714 3.174 1.00 0.00 C ATOM 870 O LYS A 226 -16.901 14.385 2.188 1.00 0.00 O ATOM 871 CB LYS A 226 -13.903 14.556 3.991 1.00 0.00 C ATOM 872 CG LYS A 226 -12.729 13.582 4.194 1.00 0.00 C ATOM 873 CD LYS A 226 -12.939 12.705 5.434 1.00 0.00 C ATOM 874 CE LYS A 226 -13.111 13.573 6.689 1.00 0.00 C ATOM 875 NZ LYS A 226 -12.732 12.781 7.893 1.00 0.00 N ATOM 0 H LYS A 226 -14.298 12.811 2.105 1.00 0.00 H new ATOM 0 HA LYS A 226 -15.573 13.407 4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 226 -13.708 15.195 3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 226 -13.996 15.209 4.859 1.00 0.00 H new ATOM 0 HG2 LYS A 226 -12.622 12.949 3.313 1.00 0.00 H new ATOM 0 HG3 LYS A 226 -11.801 14.144 4.297 1.00 0.00 H new ATOM 0 HD2 LYS A 226 -13.819 12.077 5.297 1.00 0.00 H new ATOM 0 HD3 LYS A 226 -12.087 12.037 5.562 1.00 0.00 H new ATOM 0 HE2 LYS A 226 -12.489 14.465 6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 226 -14.144 13.911 6.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 226 -12.848 13.367 8.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 226 -13.344 11.943 7.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 226 -11.740 12.480 7.812 1.00 0.00 H new ATOM 889 N GLY A 227 -16.488 15.869 3.762 1.00 0.00 N ATOM 890 CA GLY A 227 -17.518 16.808 3.219 1.00 0.00 C ATOM 891 C GLY A 227 -17.405 16.887 1.693 1.00 0.00 C ATOM 892 O GLY A 227 -18.238 16.368 0.977 1.00 0.00 O ATOM 0 H GLY A 227 -15.995 16.199 4.592 1.00 0.00 H new ATOM 0 HA2 GLY A 227 -18.515 16.469 3.501 1.00 0.00 H new ATOM 0 HA3 GLY A 227 -17.383 17.799 3.653 1.00 0.00 H new ATOM 896 N ILE A 228 -16.374 17.516 1.185 1.00 0.00 N ATOM 897 CA ILE A 228 -16.217 17.606 -0.294 1.00 0.00 C ATOM 898 C ILE A 228 -15.950 16.208 -0.854 1.00 0.00 C ATOM 899 O ILE A 228 -15.853 16.017 -2.046 1.00 0.00 O ATOM 900 CB ILE A 228 -15.073 18.569 -0.656 1.00 0.00 C ATOM 901 CG1 ILE A 228 -13.727 18.048 -0.142 1.00 0.00 C ATOM 902 CG2 ILE A 228 -15.339 19.933 -0.020 1.00 0.00 C ATOM 903 CD1 ILE A 228 -12.620 18.994 -0.621 1.00 0.00 C ATOM 0 H ILE A 228 -15.639 17.968 1.730 1.00 0.00 H new ATOM 0 HA ILE A 228 -17.133 17.999 -0.735 1.00 0.00 H new ATOM 0 HB ILE A 228 -15.030 18.650 -1.742 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -13.733 17.994 0.947 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -13.547 17.038 -0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -14.530 20.617 -0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -16.282 20.331 -0.394 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -15.395 19.825 1.063 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -11.655 18.636 -0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -12.614 19.025 -1.711 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -12.803 19.995 -0.231 1.00 0.00 H new ATOM 915 N HIS A 229 -15.850 15.239 0.024 1.00 0.00 N ATOM 916 CA HIS A 229 -15.608 13.820 -0.387 1.00 0.00 C ATOM 917 C HIS A 229 -14.118 13.586 -0.663 1.00 0.00 C ATOM 918 O HIS A 229 -13.752 13.090 -1.709 1.00 0.00 O ATOM 919 CB HIS A 229 -16.422 13.470 -1.648 1.00 0.00 C ATOM 920 CG HIS A 229 -17.805 14.069 -1.554 1.00 0.00 C ATOM 921 ND1 HIS A 229 -18.699 13.695 -0.564 1.00 0.00 N ATOM 922 CD2 HIS A 229 -18.465 15.004 -2.318 1.00 0.00 C ATOM 923 CE1 HIS A 229 -19.833 14.396 -0.753 1.00 0.00 C ATOM 924 NE2 HIS A 229 -19.744 15.208 -1.807 1.00 0.00 N ATOM 0 H HIS A 229 -15.928 15.376 1.032 1.00 0.00 H new ATOM 0 HA HIS A 229 -15.927 13.176 0.433 1.00 0.00 H new ATOM 0 HB2 HIS A 229 -15.913 13.847 -2.535 1.00 0.00 H new ATOM 0 HB3 HIS A 229 -16.492 12.388 -1.756 1.00 0.00 H new ATOM 0 HD2 HIS A 229 -18.053 15.504 -3.183 1.00 0.00 H new ATOM 0 HE1 HIS A 229 -20.709 14.311 -0.127 1.00 0.00 H new ATOM 0 HE2 HIS A 229 -20.459 15.842 -2.163 1.00 0.00 H new ATOM 932 N LYS A 230 -13.249 13.920 0.264 1.00 0.00 N ATOM 933 CA LYS A 230 -11.795 13.688 0.014 1.00 0.00 C ATOM 934 C LYS A 230 -11.519 12.200 0.143 1.00 0.00 C ATOM 935 O LYS A 230 -11.764 11.595 1.168 1.00 0.00 O ATOM 936 CB LYS A 230 -10.939 14.445 1.032 1.00 0.00 C ATOM 937 CG LYS A 230 -11.381 15.907 1.071 1.00 0.00 C ATOM 938 CD LYS A 230 -10.538 16.701 2.097 1.00 0.00 C ATOM 939 CE LYS A 230 -11.391 17.816 2.720 1.00 0.00 C ATOM 940 NZ LYS A 230 -10.598 18.558 3.743 1.00 0.00 N ATOM 0 H LYS A 230 -13.481 14.336 1.166 1.00 0.00 H new ATOM 0 HA LYS A 230 -11.542 14.047 -0.984 1.00 0.00 H new ATOM 0 HB2 LYS A 230 -11.043 13.995 2.019 1.00 0.00 H new ATOM 0 HB3 LYS A 230 -9.885 14.378 0.761 1.00 0.00 H new ATOM 0 HG2 LYS A 230 -11.274 16.352 0.082 1.00 0.00 H new ATOM 0 HG3 LYS A 230 -12.437 15.967 1.335 1.00 0.00 H new ATOM 0 HD2 LYS A 230 -10.172 16.032 2.876 1.00 0.00 H new ATOM 0 HD3 LYS A 230 -9.663 17.130 1.608 1.00 0.00 H new ATOM 0 HE2 LYS A 230 -11.730 18.502 1.944 1.00 0.00 H new ATOM 0 HE3 LYS A 230 -12.282 17.389 3.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 230 -11.184 19.310 4.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 230 -10.296 17.902 4.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 230 -9.760 18.980 3.294 1.00 0.00 H new ATOM 954 N ASN A 231 -11.021 11.602 -0.893 1.00 0.00 N ATOM 955 CA ASN A 231 -10.745 10.147 -0.840 1.00 0.00 C ATOM 956 C ASN A 231 -9.496 9.889 -0.003 1.00 0.00 C ATOM 957 O ASN A 231 -8.418 10.319 -0.352 1.00 0.00 O ATOM 958 CB ASN A 231 -10.494 9.629 -2.260 1.00 0.00 C ATOM 959 CG ASN A 231 -11.464 10.287 -3.237 1.00 0.00 C ATOM 960 OD1 ASN A 231 -12.626 9.937 -3.292 1.00 0.00 O ATOM 961 ND2 ASN A 231 -11.028 11.236 -4.019 1.00 0.00 N ATOM 0 H ASN A 231 -10.792 12.058 -1.777 1.00 0.00 H new ATOM 0 HA ASN A 231 -11.600 9.637 -0.396 1.00 0.00 H new ATOM 0 HB2 ASN A 231 -9.467 9.841 -2.557 1.00 0.00 H new ATOM 0 HB3 ASN A 231 -10.616 8.546 -2.287 1.00 0.00 H new ATOM 0 HD21 ASN A 231 -11.663 11.686 -4.678 1.00 0.00 H new ATOM 0 HD22 ASN A 231 -10.052 11.528 -3.971 1.00 0.00 H new ATOM 968 N THR A 232 -9.619 9.169 1.078 1.00 0.00 N ATOM 969 CA THR A 232 -8.419 8.859 1.909 1.00 0.00 C ATOM 970 C THR A 232 -8.379 7.361 2.158 1.00 0.00 C ATOM 971 O THR A 232 -9.372 6.745 2.509 1.00 0.00 O ATOM 972 CB THR A 232 -8.501 9.601 3.232 1.00 0.00 C ATOM 973 OG1 THR A 232 -9.728 9.298 3.866 1.00 0.00 O ATOM 974 CG2 THR A 232 -8.406 11.099 2.978 1.00 0.00 C ATOM 0 H THR A 232 -10.497 8.782 1.423 1.00 0.00 H new ATOM 0 HA THR A 232 -7.514 9.174 1.389 1.00 0.00 H new ATOM 0 HB THR A 232 -7.678 9.293 3.877 1.00 0.00 H new ATOM 0 HG1 THR A 232 -9.781 9.775 4.720 1.00 0.00 H new ATOM 0 HG21 THR A 232 -8.465 11.633 3.926 1.00 0.00 H new ATOM 0 HG22 THR A 232 -7.457 11.326 2.492 1.00 0.00 H new ATOM 0 HG23 THR A 232 -9.228 11.412 2.334 1.00 0.00 H new ATOM 982 N TRP A 233 -7.230 6.770 1.954 1.00 0.00 N ATOM 983 CA TRP A 233 -7.070 5.302 2.146 1.00 0.00 C ATOM 984 C TRP A 233 -6.129 5.034 3.309 1.00 0.00 C ATOM 985 O TRP A 233 -5.147 5.727 3.503 1.00 0.00 O ATOM 986 CB TRP A 233 -6.514 4.682 0.860 1.00 0.00 C ATOM 987 CG TRP A 233 -7.591 4.654 -0.182 1.00 0.00 C ATOM 988 CD1 TRP A 233 -7.908 5.684 -1.002 1.00 0.00 C ATOM 989 CD2 TRP A 233 -8.497 3.561 -0.529 1.00 0.00 C ATOM 990 NE1 TRP A 233 -8.952 5.295 -1.824 1.00 0.00 N ATOM 991 CE2 TRP A 233 -9.349 3.997 -1.570 1.00 0.00 C ATOM 992 CE3 TRP A 233 -8.661 2.250 -0.045 1.00 0.00 C ATOM 993 CZ2 TRP A 233 -10.330 3.162 -2.110 1.00 0.00 C ATOM 994 CZ3 TRP A 233 -9.646 1.408 -0.586 1.00 0.00 C ATOM 995 CH2 TRP A 233 -10.479 1.864 -1.615 1.00 0.00 C ATOM 0 H TRP A 233 -6.382 7.254 1.657 1.00 0.00 H new ATOM 0 HA TRP A 233 -8.038 4.854 2.371 1.00 0.00 H new ATOM 0 HB2 TRP A 233 -5.662 5.260 0.503 1.00 0.00 H new ATOM 0 HB3 TRP A 233 -6.155 3.672 1.055 1.00 0.00 H new ATOM 0 HD1 TRP A 233 -7.426 6.650 -1.013 1.00 0.00 H new ATOM 0 HE1 TRP A 233 -9.377 5.895 -2.532 1.00 0.00 H new ATOM 0 HE3 TRP A 233 -8.024 1.888 0.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 233 -10.969 3.517 -2.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 233 -9.762 0.404 -0.206 1.00 0.00 H new ATOM 0 HH2 TRP A 233 -11.236 1.213 -2.026 1.00 0.00 H new ATOM 1006 N GLU A 234 -6.434 4.029 4.095 1.00 0.00 N ATOM 1007 CA GLU A 234 -5.569 3.691 5.271 1.00 0.00 C ATOM 1008 C GLU A 234 -5.311 2.178 5.297 1.00 0.00 C ATOM 1009 O GLU A 234 -6.214 1.386 5.108 1.00 0.00 O ATOM 1010 CB GLU A 234 -6.294 4.075 6.568 1.00 0.00 C ATOM 1011 CG GLU A 234 -6.521 5.587 6.640 1.00 0.00 C ATOM 1012 CD GLU A 234 -7.074 5.940 8.023 1.00 0.00 C ATOM 1013 OE1 GLU A 234 -8.225 5.625 8.278 1.00 0.00 O ATOM 1014 OE2 GLU A 234 -6.340 6.523 8.803 1.00 0.00 O ATOM 0 H GLU A 234 -7.248 3.426 3.973 1.00 0.00 H new ATOM 0 HA GLU A 234 -4.628 4.235 5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -7.251 3.557 6.621 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -5.707 3.750 7.427 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -5.586 6.118 6.461 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -7.219 5.901 5.864 1.00 0.00 H new ATOM 1021 N LEU A 235 -4.093 1.768 5.559 1.00 0.00 N ATOM 1022 CA LEU A 235 -3.791 0.304 5.626 1.00 0.00 C ATOM 1023 C LEU A 235 -4.509 -0.287 6.836 1.00 0.00 C ATOM 1024 O LEU A 235 -4.298 0.141 7.950 1.00 0.00 O ATOM 1025 CB LEU A 235 -2.280 0.090 5.800 1.00 0.00 C ATOM 1026 CG LEU A 235 -1.517 0.566 4.553 1.00 0.00 C ATOM 1027 CD1 LEU A 235 -0.014 0.328 4.748 1.00 0.00 C ATOM 1028 CD2 LEU A 235 -1.992 -0.201 3.306 1.00 0.00 C ATOM 0 H LEU A 235 -3.297 2.383 5.729 1.00 0.00 H new ATOM 0 HA LEU A 235 -4.123 -0.178 4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -1.929 0.634 6.677 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -2.075 -0.966 5.977 1.00 0.00 H new ATOM 0 HG LEU A 235 -1.710 1.629 4.412 1.00 0.00 H new ATOM 0 HD11 LEU A 235 0.526 0.666 3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 235 0.332 0.884 5.619 1.00 0.00 H new ATOM 0 HD13 LEU A 235 0.169 -0.736 4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.442 0.148 2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -1.814 -1.267 3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -3.058 -0.028 3.156 1.00 0.00 H new ATOM 1040 N LYS A 236 -5.348 -1.268 6.633 1.00 0.00 N ATOM 1041 CA LYS A 236 -6.070 -1.881 7.780 1.00 0.00 C ATOM 1042 C LYS A 236 -5.055 -2.459 8.777 1.00 0.00 C ATOM 1043 O LYS A 236 -4.388 -3.427 8.470 1.00 0.00 O ATOM 1044 CB LYS A 236 -6.941 -3.036 7.274 1.00 0.00 C ATOM 1045 CG LYS A 236 -8.180 -2.492 6.571 1.00 0.00 C ATOM 1046 CD LYS A 236 -9.110 -3.654 6.231 1.00 0.00 C ATOM 1047 CE LYS A 236 -10.407 -3.091 5.664 1.00 0.00 C ATOM 1048 NZ LYS A 236 -11.359 -4.201 5.402 1.00 0.00 N ATOM 0 H LYS A 236 -5.563 -1.670 5.721 1.00 0.00 H new ATOM 0 HA LYS A 236 -6.684 -1.119 8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -6.368 -3.659 6.587 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -7.237 -3.671 8.109 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -8.692 -1.775 7.213 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -7.895 -1.960 5.663 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -8.637 -4.317 5.506 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -9.313 -4.248 7.122 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -10.845 -2.381 6.366 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -10.206 -2.545 4.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -12.244 -3.815 5.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -10.941 -4.863 4.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -11.560 -4.703 6.290 1.00 0.00 H new ATOM 1062 N PRO A 237 -4.935 -1.918 9.962 1.00 0.00 N ATOM 1063 CA PRO A 237 -3.987 -2.463 10.964 1.00 0.00 C ATOM 1064 C PRO A 237 -4.603 -3.654 11.697 1.00 0.00 C ATOM 1065 O PRO A 237 -3.992 -4.272 12.549 1.00 0.00 O ATOM 1066 CB PRO A 237 -3.779 -1.291 11.920 1.00 0.00 C ATOM 1067 CG PRO A 237 -5.083 -0.550 11.905 1.00 0.00 C ATOM 1068 CD PRO A 237 -5.677 -0.750 10.501 1.00 0.00 C ATOM 0 HA PRO A 237 -3.059 -2.827 10.523 1.00 0.00 H new ATOM 0 HB2 PRO A 237 -3.532 -1.638 12.924 1.00 0.00 H new ATOM 0 HB3 PRO A 237 -2.958 -0.654 11.592 1.00 0.00 H new ATOM 0 HG2 PRO A 237 -5.757 -0.934 12.671 1.00 0.00 H new ATOM 0 HG3 PRO A 237 -4.931 0.509 12.116 1.00 0.00 H new ATOM 0 HD2 PRO A 237 -6.749 -0.943 10.545 1.00 0.00 H new ATOM 0 HD3 PRO A 237 -5.537 0.134 9.879 1.00 0.00 H new ATOM 1076 N GLU A 238 -5.834 -3.933 11.398 1.00 0.00 N ATOM 1077 CA GLU A 238 -6.561 -5.030 12.092 1.00 0.00 C ATOM 1078 C GLU A 238 -5.815 -6.360 12.000 1.00 0.00 C ATOM 1079 O GLU A 238 -5.669 -7.051 12.989 1.00 0.00 O ATOM 1080 CB GLU A 238 -7.943 -5.192 11.442 1.00 0.00 C ATOM 1081 CG GLU A 238 -8.820 -3.981 11.773 1.00 0.00 C ATOM 1082 CD GLU A 238 -9.104 -3.937 13.277 1.00 0.00 C ATOM 1083 OE1 GLU A 238 -8.886 -4.946 13.931 1.00 0.00 O ATOM 1084 OE2 GLU A 238 -9.534 -2.900 13.751 1.00 0.00 O ATOM 0 H GLU A 238 -6.379 -3.441 10.690 1.00 0.00 H new ATOM 0 HA GLU A 238 -6.647 -4.765 13.146 1.00 0.00 H new ATOM 0 HB2 GLU A 238 -7.837 -5.291 10.362 1.00 0.00 H new ATOM 0 HB3 GLU A 238 -8.418 -6.105 11.800 1.00 0.00 H new ATOM 0 HG2 GLU A 238 -8.320 -3.064 11.462 1.00 0.00 H new ATOM 0 HG3 GLU A 238 -9.757 -4.038 11.219 1.00 0.00 H new ATOM 1091 N TYR A 239 -5.370 -6.749 10.828 1.00 0.00 N ATOM 1092 CA TYR A 239 -4.672 -8.072 10.692 1.00 0.00 C ATOM 1093 C TYR A 239 -3.347 -7.956 9.929 1.00 0.00 C ATOM 1094 O TYR A 239 -2.818 -8.950 9.476 1.00 0.00 O ATOM 1095 CB TYR A 239 -5.600 -9.034 9.954 1.00 0.00 C ATOM 1096 CG TYR A 239 -5.817 -8.537 8.553 1.00 0.00 C ATOM 1097 CD1 TYR A 239 -6.770 -7.547 8.316 1.00 0.00 C ATOM 1098 CD2 TYR A 239 -5.066 -9.059 7.497 1.00 0.00 C ATOM 1099 CE1 TYR A 239 -6.978 -7.071 7.021 1.00 0.00 C ATOM 1100 CE2 TYR A 239 -5.272 -8.586 6.198 1.00 0.00 C ATOM 1101 CZ TYR A 239 -6.230 -7.590 5.960 1.00 0.00 C ATOM 1102 OH TYR A 239 -6.439 -7.121 4.681 1.00 0.00 O ATOM 0 H TYR A 239 -5.458 -6.213 9.964 1.00 0.00 H new ATOM 0 HA TYR A 239 -4.438 -8.438 11.692 1.00 0.00 H new ATOM 0 HB2 TYR A 239 -5.166 -10.034 9.934 1.00 0.00 H new ATOM 0 HB3 TYR A 239 -6.553 -9.111 10.477 1.00 0.00 H new ATOM 0 HD1 TYR A 239 -7.348 -7.148 9.136 1.00 0.00 H new ATOM 0 HD2 TYR A 239 -4.329 -9.826 7.684 1.00 0.00 H new ATOM 0 HE1 TYR A 239 -7.715 -6.303 6.839 1.00 0.00 H new ATOM 0 HE2 TYR A 239 -4.694 -8.987 5.379 1.00 0.00 H new ATOM 0 HH TYR A 239 -7.359 -6.794 4.599 1.00 0.00 H new ATOM 1112 N ARG A 240 -2.774 -6.791 9.800 1.00 0.00 N ATOM 1113 CA ARG A 240 -1.467 -6.734 9.087 1.00 0.00 C ATOM 1114 C ARG A 240 -0.399 -7.351 9.993 1.00 0.00 C ATOM 1115 O ARG A 240 -0.023 -6.794 11.004 1.00 0.00 O ATOM 1116 CB ARG A 240 -1.081 -5.278 8.747 1.00 0.00 C ATOM 1117 CG ARG A 240 -1.774 -4.819 7.444 1.00 0.00 C ATOM 1118 CD ARG A 240 -0.964 -5.258 6.206 1.00 0.00 C ATOM 1119 NE ARG A 240 -1.348 -6.649 5.828 1.00 0.00 N ATOM 1120 CZ ARG A 240 -0.991 -7.138 4.671 1.00 0.00 C ATOM 1121 NH1 ARG A 240 -0.310 -6.407 3.832 1.00 0.00 N ATOM 1122 NH2 ARG A 240 -1.324 -8.356 4.348 1.00 0.00 N ATOM 0 H ARG A 240 -3.139 -5.903 10.145 1.00 0.00 H new ATOM 0 HA ARG A 240 -1.545 -7.286 8.150 1.00 0.00 H new ATOM 0 HB2 ARG A 240 -1.366 -4.620 9.568 1.00 0.00 H new ATOM 0 HB3 ARG A 240 0.001 -5.200 8.637 1.00 0.00 H new ATOM 0 HG2 ARG A 240 -2.779 -5.239 7.394 1.00 0.00 H new ATOM 0 HG3 ARG A 240 -1.882 -3.734 7.447 1.00 0.00 H new ATOM 0 HD2 ARG A 240 -1.153 -4.579 5.375 1.00 0.00 H new ATOM 0 HD3 ARG A 240 0.104 -5.210 6.421 1.00 0.00 H new ATOM 0 HE ARG A 240 -1.891 -7.220 6.475 1.00 0.00 H new ATOM 0 HH11 ARG A 240 -0.055 -5.451 4.079 1.00 0.00 H new ATOM 0 HH12 ARG A 240 -0.033 -6.792 2.929 1.00 0.00 H new ATOM 0 HH21 ARG A 240 -1.863 -8.927 4.999 1.00 0.00 H new ATOM 0 HH22 ARG A 240 -1.045 -8.738 3.444 1.00 0.00 H new ATOM 1136 N HIS A 241 0.092 -8.504 9.621 1.00 0.00 N ATOM 1137 CA HIS A 241 1.146 -9.182 10.429 1.00 0.00 C ATOM 1138 C HIS A 241 2.499 -8.706 9.909 1.00 0.00 C ATOM 1139 O HIS A 241 3.545 -9.109 10.376 1.00 0.00 O ATOM 1140 CB HIS A 241 1.025 -10.700 10.249 1.00 0.00 C ATOM 1141 CG HIS A 241 -0.326 -11.161 10.728 1.00 0.00 C ATOM 1142 ND1 HIS A 241 -0.555 -11.556 12.038 1.00 0.00 N ATOM 1143 CD2 HIS A 241 -1.533 -11.292 10.082 1.00 0.00 C ATOM 1144 CE1 HIS A 241 -1.853 -11.900 12.137 1.00 0.00 C ATOM 1145 NE2 HIS A 241 -2.493 -11.759 10.973 1.00 0.00 N ATOM 0 H HIS A 241 -0.196 -9.009 8.783 1.00 0.00 H new ATOM 0 HA HIS A 241 1.039 -8.946 11.488 1.00 0.00 H new ATOM 0 HB2 HIS A 241 1.159 -10.963 9.200 1.00 0.00 H new ATOM 0 HB3 HIS A 241 1.812 -11.206 10.808 1.00 0.00 H new ATOM 0 HD2 HIS A 241 -1.709 -11.066 9.041 1.00 0.00 H new ATOM 0 HE1 HIS A 241 -2.320 -12.248 13.047 1.00 0.00 H new ATOM 0 HE2 HIS A 241 -3.476 -11.952 10.779 1.00 0.00 H new ATOM 1153 N TYR A 242 2.460 -7.849 8.922 1.00 0.00 N ATOM 1154 CA TYR A 242 3.705 -7.305 8.302 1.00 0.00 C ATOM 1155 C TYR A 242 3.679 -5.771 8.343 1.00 0.00 C ATOM 1156 O TYR A 242 2.732 -5.147 7.910 1.00 0.00 O ATOM 1157 CB TYR A 242 3.752 -7.780 6.844 1.00 0.00 C ATOM 1158 CG TYR A 242 4.804 -7.016 6.069 1.00 0.00 C ATOM 1159 CD1 TYR A 242 6.130 -7.459 6.046 1.00 0.00 C ATOM 1160 CD2 TYR A 242 4.439 -5.863 5.360 1.00 0.00 C ATOM 1161 CE1 TYR A 242 7.093 -6.750 5.318 1.00 0.00 C ATOM 1162 CE2 TYR A 242 5.400 -5.153 4.635 1.00 0.00 C ATOM 1163 CZ TYR A 242 6.730 -5.598 4.612 1.00 0.00 C ATOM 1164 OH TYR A 242 7.684 -4.904 3.894 1.00 0.00 O ATOM 0 H TYR A 242 1.596 -7.495 8.510 1.00 0.00 H new ATOM 0 HA TYR A 242 4.583 -7.654 8.846 1.00 0.00 H new ATOM 0 HB2 TYR A 242 3.971 -8.847 6.810 1.00 0.00 H new ATOM 0 HB3 TYR A 242 2.776 -7.640 6.379 1.00 0.00 H new ATOM 0 HD1 TYR A 242 6.411 -8.348 6.590 1.00 0.00 H new ATOM 0 HD2 TYR A 242 3.414 -5.523 5.374 1.00 0.00 H new ATOM 0 HE1 TYR A 242 8.117 -7.093 5.301 1.00 0.00 H new ATOM 0 HE2 TYR A 242 5.119 -4.262 4.093 1.00 0.00 H new ATOM 0 HH TYR A 242 7.247 -4.380 3.190 1.00 0.00 H new ATOM 1174 N GLN A 243 4.723 -5.161 8.840 1.00 0.00 N ATOM 1175 CA GLN A 243 4.768 -3.669 8.886 1.00 0.00 C ATOM 1176 C GLN A 243 6.209 -3.210 9.115 1.00 0.00 C ATOM 1177 O GLN A 243 7.052 -3.323 8.246 1.00 0.00 O ATOM 1178 CB GLN A 243 3.881 -3.146 10.019 1.00 0.00 C ATOM 1179 CG GLN A 243 4.188 -3.905 11.312 1.00 0.00 C ATOM 1180 CD GLN A 243 3.469 -5.256 11.292 1.00 0.00 C ATOM 1181 OE1 GLN A 243 4.102 -6.292 11.328 1.00 0.00 O ATOM 1182 NE2 GLN A 243 2.163 -5.288 11.226 1.00 0.00 N ATOM 0 H GLN A 243 5.546 -5.631 9.216 1.00 0.00 H new ATOM 0 HA GLN A 243 4.401 -3.275 7.938 1.00 0.00 H new ATOM 0 HB2 GLN A 243 4.052 -2.079 10.164 1.00 0.00 H new ATOM 0 HB3 GLN A 243 2.830 -3.268 9.756 1.00 0.00 H new ATOM 0 HG2 GLN A 243 5.263 -4.054 11.412 1.00 0.00 H new ATOM 0 HG3 GLN A 243 3.865 -3.322 12.174 1.00 0.00 H new ATOM 0 HE21 GLN A 243 1.632 -4.417 11.196 1.00 0.00 H new ATOM 0 HE22 GLN A 243 1.675 -6.184 11.205 1.00 0.00 H new TER 1191 GLN A 243