USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=13 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= -1.5! C(o=-1.9!,f=-2.1!) USER MOD Set 1.2: A 232 THR OG1 : rot 180:sc= -0.446 USER MOD Set 2.1: A 194 HIS : no HD1:sc= -2.64 K(o=-3.3,f=-2.6) USER MOD Set 2.2: A 197 TYR OH : rot 180:sc= -0.643 USER MOD Set 3.1: A 182 HIS : no HD1:sc=-0.000563 X(o=-0.00056,f=-0.078) USER MOD Set 3.2: A 186 MET CE :methyl -164:sc= 0 (180deg=0) USER MOD Single : A 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 181 GLN : amide:sc= -3.78! C(o=-3.8!,f=-4.1!) USER MOD Single : A 189 SER OG : rot -54:sc= 0.527 USER MOD Single : A 193 LYS NZ :NH3+ 164:sc= -0.0231 (180deg=-0.314) USER MOD Single : A 195 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.14) USER MOD Single : A 196 TYR OH : rot 180:sc= 0 USER MOD Single : A 198 ASN : amide:sc= -3.23 K(o=-3.2,f=-15!) USER MOD Single : A 200 LYS NZ :NH3+ 153:sc= -0.0767 (180deg=-0.548) USER MOD Single : A 206 THR OG1 : rot -48:sc= 0.588 USER MOD Single : A 207 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 GLN : amide:sc= -5.54! C(o=-5.5!,f=-9.9!) USER MOD Single : A 212 TYR OH : rot 93:sc= 0.94 USER MOD Single : A 214 LYS NZ :NH3+ -173:sc= -3.74 (180deg=-3.88) USER MOD Single : A 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 GLN : amide:sc= -13.3! C(o=-13!,f=-2.1!) USER MOD Single : A 226 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 229 HIS : no HD1:sc= -0.0866 X(o=-0.087,f=-0.087) USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 231 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.12) USER MOD Single : A 236 LYS NZ :NH3+ -127:sc= -0.744 (180deg=-1.69!) USER MOD Single : A 239 TYR OH : rot -16:sc= -1.4! USER MOD Single : A 241 HIS : no HD1:sc= -0.467 X(o=-0.47,f=-0.031) USER MOD Single : A 242 TYR OH : rot 154:sc= 0.254 USER MOD Single : A 243 GLN : amide:sc= -0.97 X(o=-0.97,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 175 4.595 -13.432 -11.071 1.00 0.00 N ATOM 2 CA ARG A 175 3.967 -12.440 -11.988 1.00 0.00 C ATOM 3 C ARG A 175 4.124 -11.022 -11.425 1.00 0.00 C ATOM 4 O ARG A 175 5.188 -10.634 -10.984 1.00 0.00 O ATOM 5 CB ARG A 175 2.481 -12.778 -12.158 1.00 0.00 C ATOM 6 CG ARG A 175 1.799 -12.855 -10.788 1.00 0.00 C ATOM 7 CD ARG A 175 0.284 -12.865 -10.981 1.00 0.00 C ATOM 8 NE ARG A 175 -0.376 -13.182 -9.685 1.00 0.00 N ATOM 9 CZ ARG A 175 -1.657 -12.989 -9.545 1.00 0.00 C ATOM 10 NH1 ARG A 175 -2.362 -12.543 -10.548 1.00 0.00 N ATOM 11 NH2 ARG A 175 -2.235 -13.246 -8.404 1.00 0.00 N ATOM 0 HA ARG A 175 4.462 -12.483 -12.958 1.00 0.00 H new ATOM 0 HB2 ARG A 175 1.996 -12.020 -12.773 1.00 0.00 H new ATOM 0 HB3 ARG A 175 2.374 -13.729 -12.680 1.00 0.00 H new ATOM 0 HG2 ARG A 175 2.116 -13.755 -10.261 1.00 0.00 H new ATOM 0 HG3 ARG A 175 2.094 -12.004 -10.173 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -0.054 -11.895 -11.346 1.00 0.00 H new ATOM 0 HD3 ARG A 175 0.007 -13.603 -11.733 1.00 0.00 H new ATOM 0 HE ARG A 175 0.173 -13.550 -8.908 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -1.910 -12.346 -11.441 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -3.365 -12.392 -10.439 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -1.684 -13.598 -7.621 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -3.238 -13.095 -8.295 1.00 0.00 H new ATOM 25 N ALA A 176 3.073 -10.244 -11.442 1.00 0.00 N ATOM 26 CA ALA A 176 3.159 -8.853 -10.917 1.00 0.00 C ATOM 27 C ALA A 176 3.120 -8.873 -9.390 1.00 0.00 C ATOM 28 O ALA A 176 2.988 -7.846 -8.753 1.00 0.00 O ATOM 29 CB ALA A 176 1.980 -8.030 -11.441 1.00 0.00 C ATOM 0 H ALA A 176 2.157 -10.515 -11.799 1.00 0.00 H new ATOM 0 HA ALA A 176 4.095 -8.404 -11.251 1.00 0.00 H new ATOM 0 HB1 ALA A 176 2.046 -7.013 -11.055 1.00 0.00 H new ATOM 0 HB2 ALA A 176 2.008 -8.007 -12.530 1.00 0.00 H new ATOM 0 HB3 ALA A 176 1.045 -8.483 -11.111 1.00 0.00 H new ATOM 35 N ARG A 177 3.232 -10.026 -8.792 1.00 0.00 N ATOM 36 CA ARG A 177 3.200 -10.083 -7.307 1.00 0.00 C ATOM 37 C ARG A 177 4.472 -9.440 -6.757 1.00 0.00 C ATOM 38 O ARG A 177 4.519 -9.010 -5.623 1.00 0.00 O ATOM 39 CB ARG A 177 3.105 -11.535 -6.833 1.00 0.00 C ATOM 40 CG ARG A 177 3.019 -11.562 -5.299 1.00 0.00 C ATOM 41 CD ARG A 177 2.444 -12.902 -4.830 1.00 0.00 C ATOM 42 NE ARG A 177 3.390 -14.000 -5.176 1.00 0.00 N ATOM 43 CZ ARG A 177 3.225 -15.191 -4.664 1.00 0.00 C ATOM 44 NH1 ARG A 177 2.227 -15.420 -3.855 1.00 0.00 N ATOM 45 NH2 ARG A 177 4.055 -16.151 -4.963 1.00 0.00 N ATOM 0 H ARG A 177 3.343 -10.924 -9.264 1.00 0.00 H new ATOM 0 HA ARG A 177 2.326 -9.543 -6.944 1.00 0.00 H new ATOM 0 HB2 ARG A 177 2.228 -12.015 -7.267 1.00 0.00 H new ATOM 0 HB3 ARG A 177 3.975 -12.098 -7.170 1.00 0.00 H new ATOM 0 HG2 ARG A 177 4.009 -11.411 -4.868 1.00 0.00 H new ATOM 0 HG3 ARG A 177 2.390 -10.744 -4.947 1.00 0.00 H new ATOM 0 HD2 ARG A 177 2.275 -12.880 -3.753 1.00 0.00 H new ATOM 0 HD3 ARG A 177 1.477 -13.079 -5.301 1.00 0.00 H new ATOM 0 HE ARG A 177 4.167 -13.822 -5.813 1.00 0.00 H new ATOM 0 HH11 ARG A 177 1.576 -14.670 -3.623 1.00 0.00 H new ATOM 0 HH12 ARG A 177 2.098 -16.349 -3.455 1.00 0.00 H new ATOM 0 HH21 ARG A 177 4.834 -15.973 -5.597 1.00 0.00 H new ATOM 0 HH22 ARG A 177 3.925 -17.080 -4.563 1.00 0.00 H new ATOM 59 N ALA A 178 5.501 -9.351 -7.556 1.00 0.00 N ATOM 60 CA ALA A 178 6.754 -8.712 -7.070 1.00 0.00 C ATOM 61 C ALA A 178 6.446 -7.258 -6.757 1.00 0.00 C ATOM 62 O ALA A 178 6.774 -6.746 -5.706 1.00 0.00 O ATOM 63 CB ALA A 178 7.813 -8.764 -8.168 1.00 0.00 C ATOM 0 H ALA A 178 5.527 -9.691 -8.517 1.00 0.00 H new ATOM 0 HA ALA A 178 7.123 -9.232 -6.186 1.00 0.00 H new ATOM 0 HB1 ALA A 178 8.730 -8.296 -7.811 1.00 0.00 H new ATOM 0 HB2 ALA A 178 8.014 -9.803 -8.431 1.00 0.00 H new ATOM 0 HB3 ALA A 178 7.452 -8.231 -9.047 1.00 0.00 H new ATOM 69 N ASP A 179 5.793 -6.599 -7.665 1.00 0.00 N ATOM 70 CA ASP A 179 5.423 -5.186 -7.437 1.00 0.00 C ATOM 71 C ASP A 179 4.464 -5.121 -6.250 1.00 0.00 C ATOM 72 O ASP A 179 4.527 -4.235 -5.434 1.00 0.00 O ATOM 73 CB ASP A 179 4.749 -4.630 -8.688 1.00 0.00 C ATOM 74 CG ASP A 179 5.798 -4.466 -9.791 1.00 0.00 C ATOM 75 OD1 ASP A 179 6.953 -4.249 -9.455 1.00 0.00 O ATOM 76 OD2 ASP A 179 5.434 -4.565 -10.951 1.00 0.00 O ATOM 0 H ASP A 179 5.498 -6.984 -8.562 1.00 0.00 H new ATOM 0 HA ASP A 179 6.311 -4.591 -7.224 1.00 0.00 H new ATOM 0 HB2 ASP A 179 3.957 -5.302 -9.019 1.00 0.00 H new ATOM 0 HB3 ASP A 179 4.281 -3.670 -8.468 1.00 0.00 H new ATOM 81 N LYS A 180 3.567 -6.061 -6.157 1.00 0.00 N ATOM 82 CA LYS A 180 2.592 -6.054 -5.030 1.00 0.00 C ATOM 83 C LYS A 180 3.318 -5.958 -3.689 1.00 0.00 C ATOM 84 O LYS A 180 3.077 -5.058 -2.910 1.00 0.00 O ATOM 85 CB LYS A 180 1.776 -7.354 -5.063 1.00 0.00 C ATOM 86 CG LYS A 180 0.712 -7.341 -3.956 1.00 0.00 C ATOM 87 CD LYS A 180 0.026 -8.708 -3.876 1.00 0.00 C ATOM 88 CE LYS A 180 -0.866 -8.927 -5.101 1.00 0.00 C ATOM 89 NZ LYS A 180 -1.836 -10.021 -4.809 1.00 0.00 N ATOM 0 H LYS A 180 3.466 -6.835 -6.813 1.00 0.00 H new ATOM 0 HA LYS A 180 1.937 -5.190 -5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 180 1.298 -7.467 -6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 180 2.437 -8.210 -4.932 1.00 0.00 H new ATOM 0 HG2 LYS A 180 1.174 -7.100 -2.999 1.00 0.00 H new ATOM 0 HG3 LYS A 180 -0.026 -6.565 -4.158 1.00 0.00 H new ATOM 0 HD2 LYS A 180 0.777 -9.496 -3.818 1.00 0.00 H new ATOM 0 HD3 LYS A 180 -0.572 -8.770 -2.967 1.00 0.00 H new ATOM 0 HE2 LYS A 180 -1.398 -8.008 -5.348 1.00 0.00 H new ATOM 0 HE3 LYS A 180 -0.258 -9.185 -5.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 -2.445 -10.175 -5.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 -1.317 -10.896 -4.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 -2.423 -9.756 -3.992 1.00 0.00 H new ATOM 103 N GLN A 181 4.192 -6.875 -3.401 1.00 0.00 N ATOM 104 CA GLN A 181 4.903 -6.815 -2.100 1.00 0.00 C ATOM 105 C GLN A 181 5.774 -5.560 -2.056 1.00 0.00 C ATOM 106 O GLN A 181 5.814 -4.849 -1.073 1.00 0.00 O ATOM 107 CB GLN A 181 5.763 -8.074 -1.922 1.00 0.00 C ATOM 108 CG GLN A 181 6.385 -8.085 -0.520 1.00 0.00 C ATOM 109 CD GLN A 181 7.603 -7.164 -0.489 1.00 0.00 C ATOM 110 OE1 GLN A 181 8.647 -7.497 -1.013 1.00 0.00 O ATOM 111 NE2 GLN A 181 7.510 -6.008 0.102 1.00 0.00 N ATOM 0 H GLN A 181 4.444 -7.658 -4.005 1.00 0.00 H new ATOM 0 HA GLN A 181 4.179 -6.771 -1.286 1.00 0.00 H new ATOM 0 HB2 GLN A 181 5.153 -8.966 -2.066 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.548 -8.099 -2.678 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.651 -7.758 0.216 1.00 0.00 H new ATOM 0 HG3 GLN A 181 6.677 -9.100 -0.250 1.00 0.00 H new ATOM 0 HE21 GLN A 181 6.633 -5.729 0.542 1.00 0.00 H new ATOM 0 HE22 GLN A 181 8.314 -5.381 0.125 1.00 0.00 H new ATOM 120 N HIS A 182 6.466 -5.284 -3.122 1.00 0.00 N ATOM 121 CA HIS A 182 7.342 -4.085 -3.164 1.00 0.00 C ATOM 122 C HIS A 182 6.492 -2.810 -3.121 1.00 0.00 C ATOM 123 O HIS A 182 6.893 -1.804 -2.573 1.00 0.00 O ATOM 124 CB HIS A 182 8.161 -4.141 -4.450 1.00 0.00 C ATOM 125 CG HIS A 182 9.077 -2.961 -4.535 1.00 0.00 C ATOM 126 ND1 HIS A 182 9.909 -2.577 -3.494 1.00 0.00 N ATOM 127 CD2 HIS A 182 9.310 -2.079 -5.550 1.00 0.00 C ATOM 128 CE1 HIS A 182 10.600 -1.497 -3.909 1.00 0.00 C ATOM 129 NE2 HIS A 182 10.270 -1.151 -5.159 1.00 0.00 N ATOM 0 H HIS A 182 6.462 -5.844 -3.975 1.00 0.00 H new ATOM 0 HA HIS A 182 8.008 -4.072 -2.301 1.00 0.00 H new ATOM 0 HB2 HIS A 182 8.741 -5.063 -4.480 1.00 0.00 H new ATOM 0 HB3 HIS A 182 7.495 -4.156 -5.313 1.00 0.00 H new ATOM 0 HD2 HIS A 182 8.822 -2.098 -6.513 1.00 0.00 H new ATOM 0 HE1 HIS A 182 11.330 -0.975 -3.307 1.00 0.00 H new ATOM 0 HE2 HIS A 182 10.642 -0.375 -5.707 1.00 0.00 H new ATOM 137 N VAL A 183 5.325 -2.839 -3.695 1.00 0.00 N ATOM 138 CA VAL A 183 4.458 -1.629 -3.681 1.00 0.00 C ATOM 139 C VAL A 183 3.960 -1.380 -2.257 1.00 0.00 C ATOM 140 O VAL A 183 3.847 -0.251 -1.821 1.00 0.00 O ATOM 141 CB VAL A 183 3.292 -1.852 -4.652 1.00 0.00 C ATOM 142 CG1 VAL A 183 2.195 -0.804 -4.423 1.00 0.00 C ATOM 143 CG2 VAL A 183 3.817 -1.742 -6.101 1.00 0.00 C ATOM 0 H VAL A 183 4.932 -3.649 -4.174 1.00 0.00 H new ATOM 0 HA VAL A 183 5.015 -0.749 -4.001 1.00 0.00 H new ATOM 0 HB VAL A 183 2.868 -2.842 -4.481 1.00 0.00 H new ATOM 0 HG11 VAL A 183 1.375 -0.977 -5.120 1.00 0.00 H new ATOM 0 HG12 VAL A 183 1.825 -0.882 -3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 183 2.605 0.193 -4.585 1.00 0.00 H new ATOM 0 HG21 VAL A 183 2.995 -1.899 -6.799 1.00 0.00 H new ATOM 0 HG22 VAL A 183 4.243 -0.751 -6.259 1.00 0.00 H new ATOM 0 HG23 VAL A 183 4.584 -2.498 -6.268 1.00 0.00 H new ATOM 153 N LEU A 184 3.683 -2.412 -1.514 1.00 0.00 N ATOM 154 CA LEU A 184 3.223 -2.190 -0.119 1.00 0.00 C ATOM 155 C LEU A 184 4.317 -1.441 0.629 1.00 0.00 C ATOM 156 O LEU A 184 4.053 -0.533 1.391 1.00 0.00 O ATOM 157 CB LEU A 184 2.977 -3.533 0.564 1.00 0.00 C ATOM 158 CG LEU A 184 1.721 -4.197 -0.008 1.00 0.00 C ATOM 159 CD1 LEU A 184 1.603 -5.602 0.588 1.00 0.00 C ATOM 160 CD2 LEU A 184 0.464 -3.370 0.347 1.00 0.00 C ATOM 0 H LEU A 184 3.754 -3.386 -1.807 1.00 0.00 H new ATOM 0 HA LEU A 184 2.296 -1.616 -0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 184 3.839 -4.185 0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 184 2.863 -3.387 1.638 1.00 0.00 H new ATOM 0 HG LEU A 184 1.798 -4.252 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 184 0.713 -6.092 0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 184 2.486 -6.185 0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 184 1.526 -5.532 1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -0.420 -3.856 -0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 184 0.367 -3.302 1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.557 -2.368 -0.072 1.00 0.00 H new ATOM 172 N ASP A 185 5.551 -1.802 0.400 1.00 0.00 N ATOM 173 CA ASP A 185 6.668 -1.102 1.088 1.00 0.00 C ATOM 174 C ASP A 185 6.532 0.393 0.831 1.00 0.00 C ATOM 175 O ASP A 185 6.713 1.205 1.716 1.00 0.00 O ATOM 176 CB ASP A 185 8.002 -1.594 0.528 1.00 0.00 C ATOM 177 CG ASP A 185 8.256 -3.027 0.994 1.00 0.00 C ATOM 178 OD1 ASP A 185 7.730 -3.392 2.032 1.00 0.00 O ATOM 179 OD2 ASP A 185 8.974 -3.735 0.305 1.00 0.00 O ATOM 0 H ASP A 185 5.831 -2.551 -0.233 1.00 0.00 H new ATOM 0 HA ASP A 185 6.633 -1.305 2.158 1.00 0.00 H new ATOM 0 HB2 ASP A 185 7.988 -1.552 -0.561 1.00 0.00 H new ATOM 0 HB3 ASP A 185 8.810 -0.944 0.862 1.00 0.00 H new ATOM 184 N MET A 186 6.208 0.763 -0.376 1.00 0.00 N ATOM 185 CA MET A 186 6.053 2.209 -0.690 1.00 0.00 C ATOM 186 C MET A 186 4.918 2.790 0.156 1.00 0.00 C ATOM 187 O MET A 186 4.996 3.906 0.631 1.00 0.00 O ATOM 188 CB MET A 186 5.708 2.386 -2.175 1.00 0.00 C ATOM 189 CG MET A 186 6.858 1.893 -3.063 1.00 0.00 C ATOM 190 SD MET A 186 8.367 2.830 -2.704 1.00 0.00 S ATOM 191 CE MET A 186 9.345 2.233 -4.103 1.00 0.00 C ATOM 0 H MET A 186 6.044 0.128 -1.157 1.00 0.00 H new ATOM 0 HA MET A 186 6.987 2.726 -0.469 1.00 0.00 H new ATOM 0 HB2 MET A 186 4.798 1.834 -2.410 1.00 0.00 H new ATOM 0 HB3 MET A 186 5.506 3.437 -2.384 1.00 0.00 H new ATOM 0 HG2 MET A 186 7.031 0.831 -2.891 1.00 0.00 H new ATOM 0 HG3 MET A 186 6.591 2.007 -4.114 1.00 0.00 H new ATOM 0 HE1 MET A 186 10.398 2.455 -3.932 1.00 0.00 H new ATOM 0 HE2 MET A 186 9.213 1.156 -4.206 1.00 0.00 H new ATOM 0 HE3 MET A 186 9.014 2.728 -5.016 1.00 0.00 H new ATOM 201 N LEU A 187 3.858 2.049 0.342 1.00 0.00 N ATOM 202 CA LEU A 187 2.721 2.578 1.147 1.00 0.00 C ATOM 203 C LEU A 187 3.188 2.824 2.579 1.00 0.00 C ATOM 204 O LEU A 187 2.910 3.854 3.159 1.00 0.00 O ATOM 205 CB LEU A 187 1.583 1.555 1.177 1.00 0.00 C ATOM 206 CG LEU A 187 1.148 1.188 -0.242 1.00 0.00 C ATOM 207 CD1 LEU A 187 -0.018 0.199 -0.159 1.00 0.00 C ATOM 208 CD2 LEU A 187 0.703 2.444 -1.005 1.00 0.00 C ATOM 0 H LEU A 187 3.731 1.106 -0.026 1.00 0.00 H new ATOM 0 HA LEU A 187 2.370 3.507 0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 187 1.907 0.659 1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 187 0.736 1.962 1.728 1.00 0.00 H new ATOM 0 HG LEU A 187 1.987 0.737 -0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -0.338 -0.071 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 187 0.302 -0.697 0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -0.849 0.660 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 187 0.396 2.167 -2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 187 -0.135 2.908 -0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 187 1.532 3.150 -1.059 1.00 0.00 H new ATOM 220 N PHE A 188 3.903 1.899 3.161 1.00 0.00 N ATOM 221 CA PHE A 188 4.367 2.128 4.552 1.00 0.00 C ATOM 222 C PHE A 188 5.195 3.411 4.584 1.00 0.00 C ATOM 223 O PHE A 188 5.043 4.229 5.469 1.00 0.00 O ATOM 224 CB PHE A 188 5.198 0.938 5.053 1.00 0.00 C ATOM 225 CG PHE A 188 4.286 -0.240 5.333 1.00 0.00 C ATOM 226 CD1 PHE A 188 3.546 -0.282 6.523 1.00 0.00 C ATOM 227 CD2 PHE A 188 4.175 -1.288 4.408 1.00 0.00 C ATOM 228 CE1 PHE A 188 2.699 -1.367 6.786 1.00 0.00 C ATOM 229 CE2 PHE A 188 3.329 -2.372 4.672 1.00 0.00 C ATOM 230 CZ PHE A 188 2.590 -2.412 5.862 1.00 0.00 C ATOM 0 H PHE A 188 4.180 1.012 2.740 1.00 0.00 H new ATOM 0 HA PHE A 188 3.505 2.228 5.212 1.00 0.00 H new ATOM 0 HB2 PHE A 188 5.944 0.663 4.307 1.00 0.00 H new ATOM 0 HB3 PHE A 188 5.739 1.215 5.958 1.00 0.00 H new ATOM 0 HD1 PHE A 188 3.629 0.523 7.238 1.00 0.00 H new ATOM 0 HD2 PHE A 188 4.743 -1.259 3.490 1.00 0.00 H new ATOM 0 HE1 PHE A 188 2.130 -1.397 7.703 1.00 0.00 H new ATOM 0 HE2 PHE A 188 3.246 -3.178 3.958 1.00 0.00 H new ATOM 0 HZ PHE A 188 1.937 -3.248 6.066 1.00 0.00 H new ATOM 240 N SER A 189 6.051 3.619 3.619 1.00 0.00 N ATOM 241 CA SER A 189 6.845 4.880 3.624 1.00 0.00 C ATOM 242 C SER A 189 5.878 6.054 3.506 1.00 0.00 C ATOM 243 O SER A 189 5.973 7.037 4.211 1.00 0.00 O ATOM 244 CB SER A 189 7.803 4.915 2.430 1.00 0.00 C ATOM 245 OG SER A 189 7.052 4.990 1.225 1.00 0.00 O ATOM 0 H SER A 189 6.232 2.984 2.842 1.00 0.00 H new ATOM 0 HA SER A 189 7.424 4.938 4.545 1.00 0.00 H new ATOM 0 HB2 SER A 189 8.470 5.773 2.510 1.00 0.00 H new ATOM 0 HB3 SER A 189 8.430 4.023 2.426 1.00 0.00 H new ATOM 0 HG SER A 189 6.400 4.259 1.200 1.00 0.00 H new ATOM 251 N ALA A 190 4.932 5.942 2.617 1.00 0.00 N ATOM 252 CA ALA A 190 3.942 7.032 2.435 1.00 0.00 C ATOM 253 C ALA A 190 3.122 7.194 3.713 1.00 0.00 C ATOM 254 O ALA A 190 2.979 8.280 4.229 1.00 0.00 O ATOM 255 CB ALA A 190 3.020 6.685 1.264 1.00 0.00 C ATOM 0 H ALA A 190 4.803 5.136 2.006 1.00 0.00 H new ATOM 0 HA ALA A 190 4.459 7.968 2.222 1.00 0.00 H new ATOM 0 HB1 ALA A 190 2.291 7.483 1.126 1.00 0.00 H new ATOM 0 HB2 ALA A 190 3.612 6.574 0.355 1.00 0.00 H new ATOM 0 HB3 ALA A 190 2.500 5.751 1.475 1.00 0.00 H new ATOM 261 N PHE A 191 2.597 6.118 4.235 1.00 0.00 N ATOM 262 CA PHE A 191 1.791 6.217 5.484 1.00 0.00 C ATOM 263 C PHE A 191 2.693 6.609 6.656 1.00 0.00 C ATOM 264 O PHE A 191 2.231 7.115 7.660 1.00 0.00 O ATOM 265 CB PHE A 191 1.083 4.879 5.759 1.00 0.00 C ATOM 266 CG PHE A 191 -0.158 4.790 4.896 1.00 0.00 C ATOM 267 CD1 PHE A 191 -1.276 5.566 5.216 1.00 0.00 C ATOM 268 CD2 PHE A 191 -0.184 3.955 3.776 1.00 0.00 C ATOM 269 CE1 PHE A 191 -2.424 5.506 4.421 1.00 0.00 C ATOM 270 CE2 PHE A 191 -1.330 3.894 2.972 1.00 0.00 C ATOM 271 CZ PHE A 191 -2.453 4.670 3.296 1.00 0.00 C ATOM 0 H PHE A 191 2.691 5.178 3.851 1.00 0.00 H new ATOM 0 HA PHE A 191 1.030 6.988 5.363 1.00 0.00 H new ATOM 0 HB2 PHE A 191 1.753 4.047 5.542 1.00 0.00 H new ATOM 0 HB3 PHE A 191 0.815 4.805 6.813 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -1.253 6.214 6.080 1.00 0.00 H new ATOM 0 HD2 PHE A 191 0.680 3.356 3.530 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -3.288 6.103 4.673 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -1.349 3.251 2.105 1.00 0.00 H new ATOM 0 HZ PHE A 191 -3.339 4.623 2.680 1.00 0.00 H new ATOM 281 N GLU A 192 3.976 6.409 6.530 1.00 0.00 N ATOM 282 CA GLU A 192 4.899 6.801 7.633 1.00 0.00 C ATOM 283 C GLU A 192 4.915 8.326 7.755 1.00 0.00 C ATOM 284 O GLU A 192 5.129 8.867 8.822 1.00 0.00 O ATOM 285 CB GLU A 192 6.318 6.312 7.328 1.00 0.00 C ATOM 286 CG GLU A 192 7.236 6.634 8.513 1.00 0.00 C ATOM 287 CD GLU A 192 8.635 6.073 8.247 1.00 0.00 C ATOM 288 OE1 GLU A 192 8.734 5.100 7.517 1.00 0.00 O ATOM 289 OE2 GLU A 192 9.584 6.626 8.778 1.00 0.00 O ATOM 0 H GLU A 192 4.424 5.993 5.714 1.00 0.00 H new ATOM 0 HA GLU A 192 4.555 6.352 8.564 1.00 0.00 H new ATOM 0 HB2 GLU A 192 6.312 5.238 7.141 1.00 0.00 H new ATOM 0 HB3 GLU A 192 6.693 6.791 6.423 1.00 0.00 H new ATOM 0 HG2 GLU A 192 7.288 7.712 8.663 1.00 0.00 H new ATOM 0 HG3 GLU A 192 6.829 6.204 9.428 1.00 0.00 H new ATOM 296 N LYS A 193 4.702 9.030 6.671 1.00 0.00 N ATOM 297 CA LYS A 193 4.718 10.526 6.743 1.00 0.00 C ATOM 298 C LYS A 193 3.342 11.035 7.182 1.00 0.00 C ATOM 299 O LYS A 193 3.231 12.062 7.822 1.00 0.00 O ATOM 300 CB LYS A 193 5.065 11.121 5.366 1.00 0.00 C ATOM 301 CG LYS A 193 6.573 11.002 5.084 1.00 0.00 C ATOM 302 CD LYS A 193 6.905 9.589 4.603 1.00 0.00 C ATOM 303 CE LYS A 193 8.381 9.518 4.212 1.00 0.00 C ATOM 304 NZ LYS A 193 9.218 9.712 5.427 1.00 0.00 N ATOM 0 H LYS A 193 4.519 8.639 5.747 1.00 0.00 H new ATOM 0 HA LYS A 193 5.472 10.835 7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 193 4.503 10.603 4.589 1.00 0.00 H new ATOM 0 HB3 LYS A 193 4.765 12.168 5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 193 6.869 11.731 4.329 1.00 0.00 H new ATOM 0 HG3 LYS A 193 7.139 11.230 5.987 1.00 0.00 H new ATOM 0 HD2 LYS A 193 6.691 8.866 5.390 1.00 0.00 H new ATOM 0 HD3 LYS A 193 6.279 9.327 3.750 1.00 0.00 H new ATOM 0 HE2 LYS A 193 8.602 8.554 3.753 1.00 0.00 H new ATOM 0 HE3 LYS A 193 8.611 10.284 3.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 193 10.191 9.402 5.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 193 9.222 10.718 5.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 193 8.827 9.152 6.211 1.00 0.00 H new ATOM 318 N HIS A 194 2.289 10.330 6.859 1.00 0.00 N ATOM 319 CA HIS A 194 0.933 10.791 7.281 1.00 0.00 C ATOM 320 C HIS A 194 -0.024 9.599 7.381 1.00 0.00 C ATOM 321 O HIS A 194 0.082 8.630 6.665 1.00 0.00 O ATOM 322 CB HIS A 194 0.385 11.808 6.277 1.00 0.00 C ATOM 323 CG HIS A 194 1.134 13.104 6.413 1.00 0.00 C ATOM 324 ND1 HIS A 194 1.850 13.658 5.364 1.00 0.00 N ATOM 325 CD2 HIS A 194 1.287 13.966 7.469 1.00 0.00 C ATOM 326 CE1 HIS A 194 2.399 14.804 5.808 1.00 0.00 C ATOM 327 NE2 HIS A 194 2.087 15.039 7.086 1.00 0.00 N ATOM 0 H HIS A 194 2.308 9.461 6.325 1.00 0.00 H new ATOM 0 HA HIS A 194 1.017 11.264 8.259 1.00 0.00 H new ATOM 0 HB2 HIS A 194 0.485 11.423 5.262 1.00 0.00 H new ATOM 0 HB3 HIS A 194 -0.678 11.971 6.452 1.00 0.00 H new ATOM 0 HD2 HIS A 194 0.853 13.833 8.449 1.00 0.00 H new ATOM 0 HE1 HIS A 194 3.016 15.454 5.205 1.00 0.00 H new ATOM 0 HE2 HIS A 194 2.373 15.834 7.658 1.00 0.00 H new ATOM 335 N GLN A 195 -0.952 9.672 8.284 1.00 0.00 N ATOM 336 CA GLN A 195 -1.929 8.563 8.470 1.00 0.00 C ATOM 337 C GLN A 195 -2.878 8.442 7.266 1.00 0.00 C ATOM 338 O GLN A 195 -3.452 7.397 7.031 1.00 0.00 O ATOM 339 CB GLN A 195 -2.751 8.852 9.729 1.00 0.00 C ATOM 340 CG GLN A 195 -3.607 7.636 10.090 1.00 0.00 C ATOM 341 CD GLN A 195 -2.705 6.477 10.521 1.00 0.00 C ATOM 342 OE1 GLN A 195 -2.190 6.474 11.620 1.00 0.00 O ATOM 343 NE2 GLN A 195 -2.486 5.491 9.693 1.00 0.00 N ATOM 0 H GLN A 195 -1.081 10.464 8.913 1.00 0.00 H new ATOM 0 HA GLN A 195 -1.382 7.625 8.564 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -2.087 9.098 10.558 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -3.390 9.720 9.564 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -4.296 7.891 10.895 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -4.212 7.339 9.234 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -2.919 5.495 8.770 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -1.882 4.717 9.970 1.00 0.00 H new ATOM 352 N TYR A 196 -3.100 9.516 6.543 1.00 0.00 N ATOM 353 CA TYR A 196 -4.077 9.478 5.397 1.00 0.00 C ATOM 354 C TYR A 196 -3.438 9.823 4.047 1.00 0.00 C ATOM 355 O TYR A 196 -2.591 10.686 3.939 1.00 0.00 O ATOM 356 CB TYR A 196 -5.164 10.511 5.686 1.00 0.00 C ATOM 357 CG TYR A 196 -5.925 10.111 6.923 1.00 0.00 C ATOM 358 CD1 TYR A 196 -7.012 9.237 6.820 1.00 0.00 C ATOM 359 CD2 TYR A 196 -5.550 10.619 8.172 1.00 0.00 C ATOM 360 CE1 TYR A 196 -7.726 8.870 7.962 1.00 0.00 C ATOM 361 CE2 TYR A 196 -6.265 10.253 9.318 1.00 0.00 C ATOM 362 CZ TYR A 196 -7.355 9.379 9.214 1.00 0.00 C ATOM 363 OH TYR A 196 -8.058 9.016 10.344 1.00 0.00 O ATOM 0 H TYR A 196 -2.649 10.418 6.694 1.00 0.00 H new ATOM 0 HA TYR A 196 -4.465 8.462 5.321 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -4.717 11.495 5.824 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -5.844 10.586 4.837 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -7.299 8.845 5.855 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -4.710 11.293 8.251 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -8.564 8.194 7.881 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -5.977 10.644 10.282 1.00 0.00 H new ATOM 0 HH TYR A 196 -7.669 9.458 11.127 1.00 0.00 H new ATOM 373 N TYR A 197 -3.898 9.168 3.007 1.00 0.00 N ATOM 374 CA TYR A 197 -3.401 9.449 1.622 1.00 0.00 C ATOM 375 C TYR A 197 -4.528 9.188 0.620 1.00 0.00 C ATOM 376 O TYR A 197 -5.157 8.149 0.640 1.00 0.00 O ATOM 377 CB TYR A 197 -2.201 8.548 1.279 1.00 0.00 C ATOM 378 CG TYR A 197 -0.930 9.143 1.829 1.00 0.00 C ATOM 379 CD1 TYR A 197 -0.525 8.876 3.138 1.00 0.00 C ATOM 380 CD2 TYR A 197 -0.151 9.967 1.008 1.00 0.00 C ATOM 381 CE1 TYR A 197 0.661 9.434 3.625 1.00 0.00 C ATOM 382 CE2 TYR A 197 1.032 10.526 1.495 1.00 0.00 C ATOM 383 CZ TYR A 197 1.440 10.258 2.803 1.00 0.00 C ATOM 384 OH TYR A 197 2.609 10.806 3.283 1.00 0.00 O ATOM 0 H TYR A 197 -4.609 8.438 3.061 1.00 0.00 H new ATOM 0 HA TYR A 197 -3.083 10.490 1.570 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.354 7.552 1.694 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -2.120 8.434 0.198 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -1.126 8.241 3.772 1.00 0.00 H new ATOM 0 HD2 TYR A 197 -0.466 10.171 -0.005 1.00 0.00 H new ATOM 0 HE1 TYR A 197 0.977 9.229 4.637 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.630 11.164 0.861 1.00 0.00 H new ATOM 0 HH TYR A 197 3.027 11.350 2.583 1.00 0.00 H new ATOM 394 N ASN A 198 -4.779 10.110 -0.272 1.00 0.00 N ATOM 395 CA ASN A 198 -5.853 9.887 -1.286 1.00 0.00 C ATOM 396 C ASN A 198 -5.251 9.152 -2.493 1.00 0.00 C ATOM 397 O ASN A 198 -4.047 9.039 -2.623 1.00 0.00 O ATOM 398 CB ASN A 198 -6.456 11.229 -1.716 1.00 0.00 C ATOM 399 CG ASN A 198 -5.441 12.042 -2.517 1.00 0.00 C ATOM 400 OD1 ASN A 198 -4.250 11.897 -2.339 1.00 0.00 O ATOM 401 ND2 ASN A 198 -5.874 12.900 -3.399 1.00 0.00 N ATOM 0 H ASN A 198 -4.291 11.003 -0.343 1.00 0.00 H new ATOM 0 HA ASN A 198 -6.650 9.280 -0.856 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -7.348 11.057 -2.318 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -6.768 11.792 -0.837 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -5.210 13.452 -3.942 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -6.876 13.019 -3.546 1.00 0.00 H new ATOM 408 N LEU A 199 -6.074 8.637 -3.368 1.00 0.00 N ATOM 409 CA LEU A 199 -5.545 7.894 -4.555 1.00 0.00 C ATOM 410 C LEU A 199 -4.612 8.790 -5.386 1.00 0.00 C ATOM 411 O LEU A 199 -3.591 8.345 -5.872 1.00 0.00 O ATOM 412 CB LEU A 199 -6.712 7.434 -5.443 1.00 0.00 C ATOM 413 CG LEU A 199 -7.574 6.385 -4.719 1.00 0.00 C ATOM 414 CD1 LEU A 199 -8.767 6.016 -5.611 1.00 0.00 C ATOM 415 CD2 LEU A 199 -6.745 5.118 -4.423 1.00 0.00 C ATOM 0 H LEU A 199 -7.091 8.698 -3.314 1.00 0.00 H new ATOM 0 HA LEU A 199 -4.985 7.031 -4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.328 8.292 -5.714 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -6.324 7.014 -6.371 1.00 0.00 H new ATOM 0 HG LEU A 199 -7.925 6.802 -3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -9.383 5.273 -5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -9.363 6.907 -5.809 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -8.404 5.606 -6.553 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -7.369 4.386 -3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -6.382 4.694 -5.359 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -5.897 5.378 -3.790 1.00 0.00 H new ATOM 427 N LYS A 200 -4.958 10.037 -5.579 1.00 0.00 N ATOM 428 CA LYS A 200 -4.089 10.931 -6.411 1.00 0.00 C ATOM 429 C LYS A 200 -2.678 11.021 -5.817 1.00 0.00 C ATOM 430 O LYS A 200 -1.692 11.007 -6.526 1.00 0.00 O ATOM 431 CB LYS A 200 -4.693 12.342 -6.473 1.00 0.00 C ATOM 432 CG LYS A 200 -3.935 13.204 -7.509 1.00 0.00 C ATOM 433 CD LYS A 200 -4.526 13.005 -8.911 1.00 0.00 C ATOM 434 CE LYS A 200 -3.553 13.555 -9.957 1.00 0.00 C ATOM 435 NZ LYS A 200 -2.344 12.683 -10.020 1.00 0.00 N ATOM 0 H LYS A 200 -5.798 10.475 -5.201 1.00 0.00 H new ATOM 0 HA LYS A 200 -4.030 10.508 -7.414 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -5.748 12.282 -6.741 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -4.640 12.811 -5.491 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -3.995 14.256 -7.229 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -2.879 12.934 -7.512 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -4.712 11.946 -9.092 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -5.486 13.515 -8.988 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -4.036 13.595 -10.933 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -3.266 14.575 -9.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -1.920 12.745 -10.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -1.652 12.997 -9.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -2.616 11.698 -9.826 1.00 0.00 H new ATOM 449 N ASP A 201 -2.566 11.139 -4.534 1.00 0.00 N ATOM 450 CA ASP A 201 -1.210 11.247 -3.930 1.00 0.00 C ATOM 451 C ASP A 201 -0.468 9.915 -4.083 1.00 0.00 C ATOM 452 O ASP A 201 0.728 9.880 -4.298 1.00 0.00 O ATOM 453 CB ASP A 201 -1.340 11.614 -2.452 1.00 0.00 C ATOM 454 CG ASP A 201 -1.808 13.067 -2.325 1.00 0.00 C ATOM 455 OD1 ASP A 201 -1.532 13.840 -3.230 1.00 0.00 O ATOM 456 OD2 ASP A 201 -2.432 13.383 -1.325 1.00 0.00 O ATOM 0 H ASP A 201 -3.345 11.166 -3.876 1.00 0.00 H new ATOM 0 HA ASP A 201 -0.643 12.025 -4.441 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -2.050 10.948 -1.962 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -0.382 11.484 -1.949 1.00 0.00 H new ATOM 461 N LEU A 202 -1.167 8.821 -3.953 1.00 0.00 N ATOM 462 CA LEU A 202 -0.510 7.484 -4.068 1.00 0.00 C ATOM 463 C LEU A 202 0.079 7.274 -5.468 1.00 0.00 C ATOM 464 O LEU A 202 1.154 6.725 -5.609 1.00 0.00 O ATOM 465 CB LEU A 202 -1.542 6.388 -3.779 1.00 0.00 C ATOM 466 CG LEU A 202 -1.959 6.424 -2.298 1.00 0.00 C ATOM 467 CD1 LEU A 202 -3.079 5.402 -2.069 1.00 0.00 C ATOM 468 CD2 LEU A 202 -0.753 6.091 -1.391 1.00 0.00 C ATOM 0 H LEU A 202 -2.170 8.794 -3.771 1.00 0.00 H new ATOM 0 HA LEU A 202 0.304 7.436 -3.345 1.00 0.00 H new ATOM 0 HB2 LEU A 202 -2.417 6.527 -4.414 1.00 0.00 H new ATOM 0 HB3 LEU A 202 -1.123 5.411 -4.022 1.00 0.00 H new ATOM 0 HG LEU A 202 -2.314 7.424 -2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 202 -3.380 5.421 -1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 202 -3.934 5.652 -2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 202 -2.720 4.405 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 202 -1.064 6.121 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 202 -0.381 5.095 -1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.038 6.823 -1.555 1.00 0.00 H new ATOM 480 N VAL A 203 -0.599 7.691 -6.505 1.00 0.00 N ATOM 481 CA VAL A 203 -0.030 7.484 -7.866 1.00 0.00 C ATOM 482 C VAL A 203 1.269 8.272 -7.993 1.00 0.00 C ATOM 483 O VAL A 203 2.218 7.819 -8.599 1.00 0.00 O ATOM 484 CB VAL A 203 -1.027 7.903 -8.954 1.00 0.00 C ATOM 485 CG1 VAL A 203 -2.136 6.859 -9.065 1.00 0.00 C ATOM 486 CG2 VAL A 203 -1.657 9.238 -8.598 1.00 0.00 C ATOM 0 H VAL A 203 -1.505 8.157 -6.470 1.00 0.00 H new ATOM 0 HA VAL A 203 0.176 6.423 -8.004 1.00 0.00 H new ATOM 0 HB VAL A 203 -0.493 7.987 -9.901 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -2.843 7.160 -9.839 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -1.702 5.894 -9.325 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -2.656 6.778 -8.111 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -2.363 9.526 -9.377 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -2.182 9.151 -7.647 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -0.879 9.997 -8.515 1.00 0.00 H new ATOM 496 N ASP A 204 1.341 9.438 -7.412 1.00 0.00 N ATOM 497 CA ASP A 204 2.610 10.209 -7.503 1.00 0.00 C ATOM 498 C ASP A 204 3.728 9.348 -6.907 1.00 0.00 C ATOM 499 O ASP A 204 4.806 9.238 -7.458 1.00 0.00 O ATOM 500 CB ASP A 204 2.482 11.512 -6.706 1.00 0.00 C ATOM 501 CG ASP A 204 3.659 12.432 -7.041 1.00 0.00 C ATOM 502 OD1 ASP A 204 3.696 12.934 -8.152 1.00 0.00 O ATOM 503 OD2 ASP A 204 4.500 12.621 -6.178 1.00 0.00 O ATOM 0 H ASP A 204 0.589 9.884 -6.887 1.00 0.00 H new ATOM 0 HA ASP A 204 2.831 10.455 -8.541 1.00 0.00 H new ATOM 0 HB2 ASP A 204 1.540 12.006 -6.945 1.00 0.00 H new ATOM 0 HB3 ASP A 204 2.467 11.297 -5.637 1.00 0.00 H new ATOM 508 N ILE A 205 3.462 8.727 -5.789 1.00 0.00 N ATOM 509 CA ILE A 205 4.481 7.850 -5.136 1.00 0.00 C ATOM 510 C ILE A 205 4.678 6.579 -5.981 1.00 0.00 C ATOM 511 O ILE A 205 5.687 5.908 -5.886 1.00 0.00 O ATOM 512 CB ILE A 205 3.990 7.477 -3.729 1.00 0.00 C ATOM 513 CG1 ILE A 205 3.647 8.764 -2.969 1.00 0.00 C ATOM 514 CG2 ILE A 205 5.089 6.720 -2.974 1.00 0.00 C ATOM 515 CD1 ILE A 205 3.170 8.428 -1.552 1.00 0.00 C ATOM 0 H ILE A 205 2.572 8.790 -5.294 1.00 0.00 H new ATOM 0 HA ILE A 205 5.433 8.375 -5.060 1.00 0.00 H new ATOM 0 HB ILE A 205 3.109 6.839 -3.807 1.00 0.00 H new ATOM 0 HG12 ILE A 205 4.522 9.412 -2.922 1.00 0.00 H new ATOM 0 HG13 ILE A 205 2.871 9.314 -3.501 1.00 0.00 H new ATOM 0 HG21 ILE A 205 4.733 6.459 -1.977 1.00 0.00 H new ATOM 0 HG22 ILE A 205 5.344 5.810 -3.518 1.00 0.00 H new ATOM 0 HG23 ILE A 205 5.973 7.351 -2.889 1.00 0.00 H new ATOM 0 HD11 ILE A 205 2.929 9.349 -1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 205 2.282 7.798 -1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 205 3.959 7.898 -1.019 1.00 0.00 H new ATOM 527 N THR A 206 3.710 6.241 -6.800 1.00 0.00 N ATOM 528 CA THR A 206 3.815 5.011 -7.644 1.00 0.00 C ATOM 529 C THR A 206 3.083 5.233 -8.974 1.00 0.00 C ATOM 530 O THR A 206 1.883 5.363 -9.018 1.00 0.00 O ATOM 531 CB THR A 206 3.164 3.848 -6.889 1.00 0.00 C ATOM 532 OG1 THR A 206 1.847 4.214 -6.511 1.00 0.00 O ATOM 533 CG2 THR A 206 3.988 3.516 -5.643 1.00 0.00 C ATOM 0 H THR A 206 2.846 6.770 -6.920 1.00 0.00 H new ATOM 0 HA THR A 206 4.862 4.787 -7.849 1.00 0.00 H new ATOM 0 HB THR A 206 3.126 2.970 -7.534 1.00 0.00 H new ATOM 0 HG1 THR A 206 1.861 5.099 -6.090 1.00 0.00 H new ATOM 0 HG21 THR A 206 3.522 2.688 -5.108 1.00 0.00 H new ATOM 0 HG22 THR A 206 4.998 3.234 -5.939 1.00 0.00 H new ATOM 0 HG23 THR A 206 4.032 4.389 -4.992 1.00 0.00 H new ATOM 541 N LYS A 207 3.801 5.281 -10.061 1.00 0.00 N ATOM 542 CA LYS A 207 3.150 5.511 -11.389 1.00 0.00 C ATOM 543 C LYS A 207 2.496 4.227 -11.899 1.00 0.00 C ATOM 544 O LYS A 207 2.256 4.073 -13.079 1.00 0.00 O ATOM 545 CB LYS A 207 4.193 5.984 -12.405 1.00 0.00 C ATOM 546 CG LYS A 207 4.718 7.356 -11.989 1.00 0.00 C ATOM 547 CD LYS A 207 5.752 7.843 -13.003 1.00 0.00 C ATOM 548 CE LYS A 207 6.287 9.202 -12.558 1.00 0.00 C ATOM 549 NZ LYS A 207 7.176 9.754 -13.616 1.00 0.00 N ATOM 0 H LYS A 207 4.815 5.171 -10.091 1.00 0.00 H new ATOM 0 HA LYS A 207 2.382 6.275 -11.266 1.00 0.00 H new ATOM 0 HB2 LYS A 207 5.014 5.269 -12.460 1.00 0.00 H new ATOM 0 HB3 LYS A 207 3.750 6.038 -13.400 1.00 0.00 H new ATOM 0 HG2 LYS A 207 3.894 8.067 -11.926 1.00 0.00 H new ATOM 0 HG3 LYS A 207 5.167 7.299 -10.997 1.00 0.00 H new ATOM 0 HD2 LYS A 207 6.568 7.125 -13.082 1.00 0.00 H new ATOM 0 HD3 LYS A 207 5.300 7.922 -13.992 1.00 0.00 H new ATOM 0 HE2 LYS A 207 5.460 9.886 -12.369 1.00 0.00 H new ATOM 0 HE3 LYS A 207 6.837 9.100 -11.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 7.541 10.680 -13.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 7.971 9.103 -13.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 6.637 9.865 -14.499 1.00 0.00 H new ATOM 563 N GLN A 208 2.201 3.307 -11.027 1.00 0.00 N ATOM 564 CA GLN A 208 1.561 2.038 -11.475 1.00 0.00 C ATOM 565 C GLN A 208 0.056 2.277 -11.670 1.00 0.00 C ATOM 566 O GLN A 208 -0.511 3.146 -11.039 1.00 0.00 O ATOM 567 CB GLN A 208 1.752 0.965 -10.398 1.00 0.00 C ATOM 568 CG GLN A 208 3.219 0.520 -10.337 1.00 0.00 C ATOM 569 CD GLN A 208 4.082 1.599 -9.675 1.00 0.00 C ATOM 570 OE1 GLN A 208 4.359 2.622 -10.264 1.00 0.00 O ATOM 571 NE2 GLN A 208 4.535 1.399 -8.468 1.00 0.00 N ATOM 0 H GLN A 208 2.374 3.377 -10.024 1.00 0.00 H new ATOM 0 HA GLN A 208 2.015 1.711 -12.410 1.00 0.00 H new ATOM 0 HB2 GLN A 208 1.444 1.356 -9.428 1.00 0.00 H new ATOM 0 HB3 GLN A 208 1.114 0.108 -10.613 1.00 0.00 H new ATOM 0 HG2 GLN A 208 3.299 -0.412 -9.777 1.00 0.00 H new ATOM 0 HG3 GLN A 208 3.586 0.320 -11.344 1.00 0.00 H new ATOM 0 HE21 GLN A 208 4.302 0.539 -7.972 1.00 0.00 H new ATOM 0 HE22 GLN A 208 5.122 2.103 -8.020 1.00 0.00 H new ATOM 580 N PRO A 209 -0.603 1.522 -12.528 1.00 0.00 N ATOM 581 CA PRO A 209 -2.069 1.697 -12.756 1.00 0.00 C ATOM 582 C PRO A 209 -2.857 1.733 -11.435 1.00 0.00 C ATOM 583 O PRO A 209 -2.689 0.885 -10.581 1.00 0.00 O ATOM 584 CB PRO A 209 -2.466 0.470 -13.593 1.00 0.00 C ATOM 585 CG PRO A 209 -1.210 0.046 -14.289 1.00 0.00 C ATOM 586 CD PRO A 209 -0.045 0.440 -13.371 1.00 0.00 C ATOM 0 HA PRO A 209 -2.293 2.642 -13.251 1.00 0.00 H new ATOM 0 HB2 PRO A 209 -2.855 -0.329 -12.961 1.00 0.00 H new ATOM 0 HB3 PRO A 209 -3.249 0.719 -14.310 1.00 0.00 H new ATOM 0 HG2 PRO A 209 -1.213 -1.028 -14.472 1.00 0.00 H new ATOM 0 HG3 PRO A 209 -1.121 0.535 -15.259 1.00 0.00 H new ATOM 0 HD2 PRO A 209 0.290 -0.403 -12.767 1.00 0.00 H new ATOM 0 HD3 PRO A 209 0.816 0.784 -13.944 1.00 0.00 H new ATOM 594 N VAL A 210 -3.711 2.707 -11.265 1.00 0.00 N ATOM 595 CA VAL A 210 -4.503 2.796 -10.006 1.00 0.00 C ATOM 596 C VAL A 210 -5.296 1.509 -9.781 1.00 0.00 C ATOM 597 O VAL A 210 -5.343 0.983 -8.689 1.00 0.00 O ATOM 598 CB VAL A 210 -5.460 3.987 -10.087 1.00 0.00 C ATOM 599 CG1 VAL A 210 -4.649 5.278 -10.068 1.00 0.00 C ATOM 600 CG2 VAL A 210 -6.281 3.923 -11.377 1.00 0.00 C ATOM 0 H VAL A 210 -3.894 3.445 -11.945 1.00 0.00 H new ATOM 0 HA VAL A 210 -3.819 2.934 -9.168 1.00 0.00 H new ATOM 0 HB VAL A 210 -6.140 3.958 -9.236 1.00 0.00 H new ATOM 0 HG11 VAL A 210 -5.324 6.132 -10.125 1.00 0.00 H new ATOM 0 HG12 VAL A 210 -4.073 5.332 -9.144 1.00 0.00 H new ATOM 0 HG13 VAL A 210 -3.970 5.294 -10.921 1.00 0.00 H new ATOM 0 HG21 VAL A 210 -6.957 4.777 -11.421 1.00 0.00 H new ATOM 0 HG22 VAL A 210 -5.611 3.947 -12.236 1.00 0.00 H new ATOM 0 HG23 VAL A 210 -6.860 3.000 -11.394 1.00 0.00 H new ATOM 610 N VAL A 211 -5.922 1.000 -10.803 1.00 0.00 N ATOM 611 CA VAL A 211 -6.721 -0.244 -10.646 1.00 0.00 C ATOM 612 C VAL A 211 -5.867 -1.318 -9.991 1.00 0.00 C ATOM 613 O VAL A 211 -6.353 -2.130 -9.232 1.00 0.00 O ATOM 614 CB VAL A 211 -7.186 -0.721 -12.018 1.00 0.00 C ATOM 615 CG1 VAL A 211 -8.067 0.356 -12.647 1.00 0.00 C ATOM 616 CG2 VAL A 211 -5.973 -0.979 -12.918 1.00 0.00 C ATOM 0 H VAL A 211 -5.914 1.394 -11.744 1.00 0.00 H new ATOM 0 HA VAL A 211 -7.589 -0.045 -10.018 1.00 0.00 H new ATOM 0 HB VAL A 211 -7.752 -1.646 -11.909 1.00 0.00 H new ATOM 0 HG11 VAL A 211 -8.404 0.023 -13.629 1.00 0.00 H new ATOM 0 HG12 VAL A 211 -8.932 0.537 -12.009 1.00 0.00 H new ATOM 0 HG13 VAL A 211 -7.495 1.278 -12.753 1.00 0.00 H new ATOM 0 HG21 VAL A 211 -6.312 -1.319 -13.896 1.00 0.00 H new ATOM 0 HG22 VAL A 211 -5.402 -0.058 -13.032 1.00 0.00 H new ATOM 0 HG23 VAL A 211 -5.341 -1.744 -12.467 1.00 0.00 H new ATOM 626 N TYR A 212 -4.599 -1.327 -10.262 1.00 0.00 N ATOM 627 CA TYR A 212 -3.731 -2.350 -9.625 1.00 0.00 C ATOM 628 C TYR A 212 -3.512 -1.935 -8.172 1.00 0.00 C ATOM 629 O TYR A 212 -3.594 -2.735 -7.261 1.00 0.00 O ATOM 630 CB TYR A 212 -2.398 -2.422 -10.371 1.00 0.00 C ATOM 631 CG TYR A 212 -1.558 -3.537 -9.801 1.00 0.00 C ATOM 632 CD1 TYR A 212 -1.800 -4.864 -10.186 1.00 0.00 C ATOM 633 CD2 TYR A 212 -0.539 -3.248 -8.889 1.00 0.00 C ATOM 634 CE1 TYR A 212 -1.020 -5.900 -9.658 1.00 0.00 C ATOM 635 CE2 TYR A 212 0.241 -4.284 -8.360 1.00 0.00 C ATOM 636 CZ TYR A 212 0.000 -5.609 -8.745 1.00 0.00 C ATOM 637 OH TYR A 212 0.768 -6.628 -8.222 1.00 0.00 O ATOM 0 H TYR A 212 -4.127 -0.678 -10.891 1.00 0.00 H new ATOM 0 HA TYR A 212 -4.196 -3.335 -9.663 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -2.573 -2.592 -11.433 1.00 0.00 H new ATOM 0 HB3 TYR A 212 -1.869 -1.473 -10.283 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -2.588 -5.087 -10.890 1.00 0.00 H new ATOM 0 HD2 TYR A 212 -0.353 -2.226 -8.592 1.00 0.00 H new ATOM 0 HE1 TYR A 212 -1.205 -6.922 -9.955 1.00 0.00 H new ATOM 0 HE2 TYR A 212 1.028 -4.061 -7.655 1.00 0.00 H new ATOM 0 HH TYR A 212 1.572 -6.746 -8.770 1.00 0.00 H new ATOM 647 N LEU A 213 -3.259 -0.676 -7.959 1.00 0.00 N ATOM 648 CA LEU A 213 -3.059 -0.165 -6.575 1.00 0.00 C ATOM 649 C LEU A 213 -4.367 -0.272 -5.796 1.00 0.00 C ATOM 650 O LEU A 213 -4.388 -0.652 -4.645 1.00 0.00 O ATOM 651 CB LEU A 213 -2.632 1.303 -6.638 1.00 0.00 C ATOM 652 CG LEU A 213 -1.270 1.419 -7.330 1.00 0.00 C ATOM 653 CD1 LEU A 213 -0.914 2.901 -7.505 1.00 0.00 C ATOM 654 CD2 LEU A 213 -0.188 0.722 -6.483 1.00 0.00 C ATOM 0 H LEU A 213 -3.181 0.029 -8.692 1.00 0.00 H new ATOM 0 HA LEU A 213 -2.289 -0.755 -6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 213 -3.377 1.885 -7.181 1.00 0.00 H new ATOM 0 HB3 LEU A 213 -2.575 1.718 -5.632 1.00 0.00 H new ATOM 0 HG LEU A 213 -1.320 0.937 -8.306 1.00 0.00 H new ATOM 0 HD11 LEU A 213 0.055 2.987 -7.997 1.00 0.00 H new ATOM 0 HD12 LEU A 213 -1.675 3.389 -8.114 1.00 0.00 H new ATOM 0 HD13 LEU A 213 -0.868 3.382 -6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 213 0.777 0.809 -6.982 1.00 0.00 H new ATOM 0 HD22 LEU A 213 -0.133 1.195 -5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 213 -0.441 -0.332 -6.365 1.00 0.00 H new ATOM 666 N LYS A 214 -5.458 0.078 -6.417 1.00 0.00 N ATOM 667 CA LYS A 214 -6.770 0.011 -5.716 1.00 0.00 C ATOM 668 C LYS A 214 -7.051 -1.419 -5.258 1.00 0.00 C ATOM 669 O LYS A 214 -7.606 -1.639 -4.201 1.00 0.00 O ATOM 670 CB LYS A 214 -7.893 0.481 -6.649 1.00 0.00 C ATOM 671 CG LYS A 214 -7.783 2.002 -6.895 1.00 0.00 C ATOM 672 CD LYS A 214 -9.143 2.567 -7.316 1.00 0.00 C ATOM 673 CE LYS A 214 -9.550 1.982 -8.668 1.00 0.00 C ATOM 674 NZ LYS A 214 -8.470 2.246 -9.658 1.00 0.00 N ATOM 0 H LYS A 214 -5.498 0.408 -7.381 1.00 0.00 H new ATOM 0 HA LYS A 214 -6.731 0.665 -4.845 1.00 0.00 H new ATOM 0 HB2 LYS A 214 -7.835 -0.053 -7.597 1.00 0.00 H new ATOM 0 HB3 LYS A 214 -8.862 0.246 -6.210 1.00 0.00 H new ATOM 0 HG2 LYS A 214 -7.438 2.501 -5.989 1.00 0.00 H new ATOM 0 HG3 LYS A 214 -7.042 2.200 -7.670 1.00 0.00 H new ATOM 0 HD2 LYS A 214 -9.895 2.327 -6.564 1.00 0.00 H new ATOM 0 HD3 LYS A 214 -9.092 3.654 -7.380 1.00 0.00 H new ATOM 0 HE2 LYS A 214 -9.723 0.910 -8.577 1.00 0.00 H new ATOM 0 HE3 LYS A 214 -10.486 2.428 -9.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 214 -8.789 1.957 -10.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 214 -8.244 3.261 -9.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 214 -7.621 1.704 -9.398 1.00 0.00 H new ATOM 688 N GLU A 215 -6.681 -2.395 -6.040 1.00 0.00 N ATOM 689 CA GLU A 215 -6.940 -3.803 -5.627 1.00 0.00 C ATOM 690 C GLU A 215 -6.149 -4.106 -4.355 1.00 0.00 C ATOM 691 O GLU A 215 -6.637 -4.748 -3.444 1.00 0.00 O ATOM 692 CB GLU A 215 -6.514 -4.752 -6.748 1.00 0.00 C ATOM 693 CG GLU A 215 -7.523 -4.659 -7.899 1.00 0.00 C ATOM 694 CD GLU A 215 -6.942 -5.320 -9.152 1.00 0.00 C ATOM 695 OE1 GLU A 215 -5.737 -5.260 -9.327 1.00 0.00 O ATOM 696 OE2 GLU A 215 -7.716 -5.873 -9.917 1.00 0.00 O ATOM 0 H GLU A 215 -6.214 -2.281 -6.940 1.00 0.00 H new ATOM 0 HA GLU A 215 -8.003 -3.941 -5.432 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -5.516 -4.492 -7.101 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -6.463 -5.775 -6.375 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -8.456 -5.148 -7.618 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -7.760 -3.615 -8.104 1.00 0.00 H new ATOM 703 N ILE A 216 -4.939 -3.633 -4.275 1.00 0.00 N ATOM 704 CA ILE A 216 -4.128 -3.875 -3.053 1.00 0.00 C ATOM 705 C ILE A 216 -4.741 -3.083 -1.904 1.00 0.00 C ATOM 706 O ILE A 216 -4.832 -3.547 -0.785 1.00 0.00 O ATOM 707 CB ILE A 216 -2.695 -3.399 -3.302 1.00 0.00 C ATOM 708 CG1 ILE A 216 -2.061 -4.269 -4.388 1.00 0.00 C ATOM 709 CG2 ILE A 216 -1.876 -3.506 -2.015 1.00 0.00 C ATOM 710 CD1 ILE A 216 -0.752 -3.632 -4.860 1.00 0.00 C ATOM 0 H ILE A 216 -4.476 -3.089 -5.003 1.00 0.00 H new ATOM 0 HA ILE A 216 -4.116 -4.937 -2.806 1.00 0.00 H new ATOM 0 HB ILE A 216 -2.710 -2.358 -3.624 1.00 0.00 H new ATOM 0 HG12 ILE A 216 -1.871 -5.270 -4.001 1.00 0.00 H new ATOM 0 HG13 ILE A 216 -2.748 -4.377 -5.228 1.00 0.00 H new ATOM 0 HG21 ILE A 216 -0.858 -3.165 -2.202 1.00 0.00 H new ATOM 0 HG22 ILE A 216 -2.330 -2.886 -1.242 1.00 0.00 H new ATOM 0 HG23 ILE A 216 -1.856 -4.544 -1.682 1.00 0.00 H new ATOM 0 HD11 ILE A 216 -0.303 -4.254 -5.634 1.00 0.00 H new ATOM 0 HD12 ILE A 216 -0.955 -2.640 -5.264 1.00 0.00 H new ATOM 0 HD13 ILE A 216 -0.065 -3.547 -4.018 1.00 0.00 H new ATOM 722 N LEU A 217 -5.174 -1.888 -2.183 1.00 0.00 N ATOM 723 CA LEU A 217 -5.797 -1.053 -1.123 1.00 0.00 C ATOM 724 C LEU A 217 -7.172 -1.630 -0.785 1.00 0.00 C ATOM 725 O LEU A 217 -7.624 -1.585 0.335 1.00 0.00 O ATOM 726 CB LEU A 217 -5.945 0.377 -1.640 1.00 0.00 C ATOM 727 CG LEU A 217 -4.549 0.966 -1.907 1.00 0.00 C ATOM 728 CD1 LEU A 217 -4.680 2.331 -2.601 1.00 0.00 C ATOM 729 CD2 LEU A 217 -3.774 1.124 -0.584 1.00 0.00 C ATOM 0 H LEU A 217 -5.123 -1.452 -3.104 1.00 0.00 H new ATOM 0 HA LEU A 217 -5.175 -1.050 -0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.538 0.386 -2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -6.477 0.987 -0.910 1.00 0.00 H new ATOM 0 HG LEU A 217 -4.000 0.285 -2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -3.687 2.742 -2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -5.205 2.209 -3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -5.241 3.012 -1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -2.788 1.542 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -4.321 1.793 0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -3.664 0.150 -0.108 1.00 0.00 H new ATOM 741 N LYS A 218 -7.849 -2.170 -1.748 1.00 0.00 N ATOM 742 CA LYS A 218 -9.190 -2.741 -1.467 1.00 0.00 C ATOM 743 C LYS A 218 -9.072 -3.902 -0.470 1.00 0.00 C ATOM 744 O LYS A 218 -9.935 -4.103 0.362 1.00 0.00 O ATOM 745 CB LYS A 218 -9.806 -3.233 -2.772 1.00 0.00 C ATOM 746 CG LYS A 218 -11.239 -3.698 -2.516 1.00 0.00 C ATOM 747 CD LYS A 218 -11.896 -4.062 -3.846 1.00 0.00 C ATOM 748 CE LYS A 218 -13.375 -4.367 -3.618 1.00 0.00 C ATOM 749 NZ LYS A 218 -14.014 -4.710 -4.919 1.00 0.00 N ATOM 0 H LYS A 218 -7.536 -2.242 -2.716 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.827 -1.973 -1.029 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -9.799 -2.434 -3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -9.214 -4.052 -3.180 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -11.240 -4.560 -1.849 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -11.806 -2.910 -2.020 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -11.788 -3.240 -4.554 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -11.399 -4.927 -4.284 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -13.483 -5.195 -2.917 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -13.871 -3.505 -3.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -15.021 -4.918 -4.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -13.921 -3.907 -5.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -13.546 -5.545 -5.326 1.00 0.00 H new ATOM 763 N GLU A 219 -8.022 -4.681 -0.555 1.00 0.00 N ATOM 764 CA GLU A 219 -7.877 -5.839 0.379 1.00 0.00 C ATOM 765 C GLU A 219 -7.448 -5.380 1.783 1.00 0.00 C ATOM 766 O GLU A 219 -8.052 -5.759 2.765 1.00 0.00 O ATOM 767 CB GLU A 219 -6.820 -6.803 -0.168 1.00 0.00 C ATOM 768 CG GLU A 219 -7.374 -7.535 -1.388 1.00 0.00 C ATOM 769 CD GLU A 219 -6.307 -8.490 -1.932 1.00 0.00 C ATOM 770 OE1 GLU A 219 -5.271 -8.612 -1.297 1.00 0.00 O ATOM 771 OE2 GLU A 219 -6.542 -9.085 -2.971 1.00 0.00 O ATOM 0 H GLU A 219 -7.263 -4.566 -1.227 1.00 0.00 H new ATOM 0 HA GLU A 219 -8.846 -6.332 0.456 1.00 0.00 H new ATOM 0 HB2 GLU A 219 -5.919 -6.254 -0.440 1.00 0.00 H new ATOM 0 HB3 GLU A 219 -6.536 -7.521 0.601 1.00 0.00 H new ATOM 0 HG2 GLU A 219 -8.272 -8.091 -1.117 1.00 0.00 H new ATOM 0 HG3 GLU A 219 -7.663 -6.818 -2.157 1.00 0.00 H new ATOM 778 N ILE A 220 -6.403 -4.586 1.891 1.00 0.00 N ATOM 779 CA ILE A 220 -5.928 -4.127 3.244 1.00 0.00 C ATOM 780 C ILE A 220 -6.181 -2.630 3.441 1.00 0.00 C ATOM 781 O ILE A 220 -6.005 -2.104 4.522 1.00 0.00 O ATOM 782 CB ILE A 220 -4.418 -4.402 3.363 1.00 0.00 C ATOM 783 CG1 ILE A 220 -3.643 -3.588 2.305 1.00 0.00 C ATOM 784 CG2 ILE A 220 -4.161 -5.895 3.146 1.00 0.00 C ATOM 785 CD1 ILE A 220 -2.138 -3.675 2.572 1.00 0.00 C ATOM 0 H ILE A 220 -5.859 -4.236 1.102 1.00 0.00 H new ATOM 0 HA ILE A 220 -6.480 -4.673 4.009 1.00 0.00 H new ATOM 0 HB ILE A 220 -4.077 -4.106 4.355 1.00 0.00 H new ATOM 0 HG12 ILE A 220 -3.866 -3.968 1.308 1.00 0.00 H new ATOM 0 HG13 ILE A 220 -3.965 -2.547 2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 220 -3.093 -6.096 3.229 1.00 0.00 H new ATOM 0 HG22 ILE A 220 -4.698 -6.470 3.900 1.00 0.00 H new ATOM 0 HG23 ILE A 220 -4.508 -6.184 2.154 1.00 0.00 H new ATOM 0 HD11 ILE A 220 -1.601 -3.097 1.820 1.00 0.00 H new ATOM 0 HD12 ILE A 220 -1.920 -3.273 3.562 1.00 0.00 H new ATOM 0 HD13 ILE A 220 -1.820 -4.716 2.525 1.00 0.00 H new ATOM 797 N GLY A 221 -6.556 -1.928 2.409 1.00 0.00 N ATOM 798 CA GLY A 221 -6.774 -0.455 2.553 1.00 0.00 C ATOM 799 C GLY A 221 -8.196 -0.157 3.020 1.00 0.00 C ATOM 800 O GLY A 221 -8.986 -1.042 3.281 1.00 0.00 O ATOM 0 H GLY A 221 -6.721 -2.304 1.475 1.00 0.00 H new ATOM 0 HA2 GLY A 221 -6.059 -0.046 3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 221 -6.589 0.039 1.599 1.00 0.00 H new ATOM 804 N VAL A 222 -8.516 1.104 3.119 1.00 0.00 N ATOM 805 CA VAL A 222 -9.874 1.527 3.561 1.00 0.00 C ATOM 806 C VAL A 222 -10.229 2.800 2.801 1.00 0.00 C ATOM 807 O VAL A 222 -9.403 3.339 2.108 1.00 0.00 O ATOM 808 CB VAL A 222 -9.847 1.793 5.073 1.00 0.00 C ATOM 809 CG1 VAL A 222 -11.215 2.306 5.541 1.00 0.00 C ATOM 810 CG2 VAL A 222 -9.507 0.484 5.801 1.00 0.00 C ATOM 0 H VAL A 222 -7.880 1.873 2.908 1.00 0.00 H new ATOM 0 HA VAL A 222 -10.616 0.755 3.359 1.00 0.00 H new ATOM 0 HB VAL A 222 -9.095 2.549 5.298 1.00 0.00 H new ATOM 0 HG11 VAL A 222 -11.186 2.492 6.615 1.00 0.00 H new ATOM 0 HG12 VAL A 222 -11.454 3.232 5.019 1.00 0.00 H new ATOM 0 HG13 VAL A 222 -11.978 1.559 5.323 1.00 0.00 H new ATOM 0 HG21 VAL A 222 -9.485 0.661 6.876 1.00 0.00 H new ATOM 0 HG22 VAL A 222 -10.263 -0.267 5.572 1.00 0.00 H new ATOM 0 HG23 VAL A 222 -8.531 0.128 5.472 1.00 0.00 H new ATOM 820 N GLN A 223 -11.440 3.283 2.908 1.00 0.00 N ATOM 821 CA GLN A 223 -11.830 4.531 2.172 1.00 0.00 C ATOM 822 C GLN A 223 -12.653 5.419 3.104 1.00 0.00 C ATOM 823 O GLN A 223 -13.321 4.941 3.999 1.00 0.00 O ATOM 824 CB GLN A 223 -12.652 4.166 0.925 1.00 0.00 C ATOM 825 CG GLN A 223 -13.130 5.438 0.208 1.00 0.00 C ATOM 826 CD GLN A 223 -11.931 6.328 -0.139 1.00 0.00 C ATOM 827 OE1 GLN A 223 -11.098 5.958 -0.943 1.00 0.00 O ATOM 828 NE2 GLN A 223 -11.806 7.493 0.437 1.00 0.00 N ATOM 0 H GLN A 223 -12.180 2.868 3.474 1.00 0.00 H new ATOM 0 HA GLN A 223 -10.936 5.067 1.854 1.00 0.00 H new ATOM 0 HB2 GLN A 223 -12.048 3.564 0.247 1.00 0.00 H new ATOM 0 HB3 GLN A 223 -13.510 3.558 1.212 1.00 0.00 H new ATOM 0 HG2 GLN A 223 -13.670 5.172 -0.700 1.00 0.00 H new ATOM 0 HG3 GLN A 223 -13.826 5.984 0.845 1.00 0.00 H new ATOM 0 HE21 GLN A 223 -12.504 7.806 1.112 1.00 0.00 H new ATOM 0 HE22 GLN A 223 -11.011 8.090 0.212 1.00 0.00 H new ATOM 837 N ASN A 224 -12.592 6.716 2.920 1.00 0.00 N ATOM 838 CA ASN A 224 -13.352 7.631 3.816 1.00 0.00 C ATOM 839 C ASN A 224 -13.726 8.907 3.065 1.00 0.00 C ATOM 840 O ASN A 224 -12.878 9.713 2.727 1.00 0.00 O ATOM 841 CB ASN A 224 -12.469 8.024 5.011 1.00 0.00 C ATOM 842 CG ASN A 224 -11.643 6.820 5.452 1.00 0.00 C ATOM 843 OD1 ASN A 224 -11.994 6.132 6.390 1.00 0.00 O ATOM 844 ND2 ASN A 224 -10.547 6.540 4.800 1.00 0.00 N ATOM 0 H ASN A 224 -12.049 7.176 2.189 1.00 0.00 H new ATOM 0 HA ASN A 224 -14.253 7.120 4.155 1.00 0.00 H new ATOM 0 HB2 ASN A 224 -11.811 8.848 4.735 1.00 0.00 H new ATOM 0 HB3 ASN A 224 -13.090 8.374 5.836 1.00 0.00 H new ATOM 0 HD21 ASN A 224 -9.979 5.739 5.077 1.00 0.00 H new ATOM 0 HD22 ASN A 224 -10.259 7.122 4.014 1.00 0.00 H new ATOM 851 N VAL A 225 -14.989 9.112 2.842 1.00 0.00 N ATOM 852 CA VAL A 225 -15.442 10.359 2.166 1.00 0.00 C ATOM 853 C VAL A 225 -15.724 11.373 3.269 1.00 0.00 C ATOM 854 O VAL A 225 -16.263 11.031 4.304 1.00 0.00 O ATOM 855 CB VAL A 225 -16.717 10.088 1.369 1.00 0.00 C ATOM 856 CG1 VAL A 225 -16.413 9.118 0.226 1.00 0.00 C ATOM 857 CG2 VAL A 225 -17.760 9.468 2.295 1.00 0.00 C ATOM 0 H VAL A 225 -15.735 8.466 3.100 1.00 0.00 H new ATOM 0 HA VAL A 225 -14.686 10.729 1.473 1.00 0.00 H new ATOM 0 HB VAL A 225 -17.096 11.023 0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -17.324 8.926 -0.341 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -15.662 9.555 -0.432 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -16.036 8.180 0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -18.674 9.271 1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -17.375 8.533 2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -17.977 10.157 3.112 1.00 0.00 H new ATOM 867 N LYS A 226 -15.321 12.599 3.088 1.00 0.00 N ATOM 868 CA LYS A 226 -15.518 13.626 4.161 1.00 0.00 C ATOM 869 C LYS A 226 -16.348 14.804 3.631 1.00 0.00 C ATOM 870 O LYS A 226 -16.981 14.704 2.598 1.00 0.00 O ATOM 871 CB LYS A 226 -14.122 14.084 4.603 1.00 0.00 C ATOM 872 CG LYS A 226 -13.187 12.846 4.643 1.00 0.00 C ATOM 873 CD LYS A 226 -12.087 13.002 5.695 1.00 0.00 C ATOM 874 CE LYS A 226 -11.136 14.144 5.324 1.00 0.00 C ATOM 875 NZ LYS A 226 -10.375 14.570 6.534 1.00 0.00 N ATOM 0 H LYS A 226 -14.862 12.940 2.243 1.00 0.00 H new ATOM 0 HA LYS A 226 -16.066 13.210 5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 226 -13.732 14.831 3.912 1.00 0.00 H new ATOM 0 HB3 LYS A 226 -14.171 14.554 5.585 1.00 0.00 H new ATOM 0 HG2 LYS A 226 -13.774 11.953 4.860 1.00 0.00 H new ATOM 0 HG3 LYS A 226 -12.735 12.700 3.662 1.00 0.00 H new ATOM 0 HD2 LYS A 226 -12.535 13.198 6.669 1.00 0.00 H new ATOM 0 HD3 LYS A 226 -11.527 12.071 5.783 1.00 0.00 H new ATOM 0 HE2 LYS A 226 -10.447 13.819 4.544 1.00 0.00 H new ATOM 0 HE3 LYS A 226 -11.700 14.985 4.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 226 -9.729 15.345 6.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 226 -11.039 14.896 7.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 226 -9.825 13.766 6.899 1.00 0.00 H new ATOM 889 N GLY A 227 -16.370 15.902 4.351 1.00 0.00 N ATOM 890 CA GLY A 227 -17.177 17.099 3.927 1.00 0.00 C ATOM 891 C GLY A 227 -17.178 17.254 2.402 1.00 0.00 C ATOM 892 O GLY A 227 -18.104 16.840 1.732 1.00 0.00 O ATOM 0 H GLY A 227 -15.858 16.024 5.225 1.00 0.00 H new ATOM 0 HA2 GLY A 227 -18.201 16.996 4.286 1.00 0.00 H new ATOM 0 HA3 GLY A 227 -16.767 17.999 4.386 1.00 0.00 H new ATOM 896 N ILE A 228 -16.154 17.834 1.844 1.00 0.00 N ATOM 897 CA ILE A 228 -16.112 17.994 0.365 1.00 0.00 C ATOM 898 C ILE A 228 -15.870 16.628 -0.279 1.00 0.00 C ATOM 899 O ILE A 228 -15.559 16.537 -1.446 1.00 0.00 O ATOM 900 CB ILE A 228 -15.001 18.977 -0.030 1.00 0.00 C ATOM 901 CG1 ILE A 228 -13.631 18.435 0.406 1.00 0.00 C ATOM 902 CG2 ILE A 228 -15.255 20.324 0.645 1.00 0.00 C ATOM 903 CD1 ILE A 228 -12.522 19.386 -0.063 1.00 0.00 C ATOM 0 H ILE A 228 -15.346 18.203 2.346 1.00 0.00 H new ATOM 0 HA ILE A 228 -17.063 18.395 0.014 1.00 0.00 H new ATOM 0 HB ILE A 228 -15.003 19.100 -1.113 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -13.599 18.331 1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -13.472 17.442 -0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -14.468 21.025 0.367 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -16.220 20.716 0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -15.259 20.194 1.727 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -11.553 18.997 0.249 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -12.548 19.467 -1.150 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -12.676 20.371 0.378 1.00 0.00 H new ATOM 915 N HIS A 229 -16.002 15.577 0.494 1.00 0.00 N ATOM 916 CA HIS A 229 -15.786 14.191 -0.026 1.00 0.00 C ATOM 917 C HIS A 229 -14.302 13.974 -0.324 1.00 0.00 C ATOM 918 O HIS A 229 -13.925 13.691 -1.445 1.00 0.00 O ATOM 919 CB HIS A 229 -16.607 13.948 -1.305 1.00 0.00 C ATOM 920 CG HIS A 229 -18.037 14.358 -1.084 1.00 0.00 C ATOM 921 ND1 HIS A 229 -18.905 13.617 -0.294 1.00 0.00 N ATOM 922 CD2 HIS A 229 -18.772 15.419 -1.552 1.00 0.00 C ATOM 923 CE1 HIS A 229 -20.099 14.234 -0.313 1.00 0.00 C ATOM 924 NE2 HIS A 229 -20.074 15.339 -1.065 1.00 0.00 N ATOM 0 H HIS A 229 -16.255 15.623 1.481 1.00 0.00 H new ATOM 0 HA HIS A 229 -16.115 13.486 0.737 1.00 0.00 H new ATOM 0 HB2 HIS A 229 -16.181 14.515 -2.133 1.00 0.00 H new ATOM 0 HB3 HIS A 229 -16.561 12.895 -1.582 1.00 0.00 H new ATOM 0 HD2 HIS A 229 -18.397 16.198 -2.200 1.00 0.00 H new ATOM 0 HE1 HIS A 229 -20.972 13.880 0.215 1.00 0.00 H new ATOM 0 HE2 HIS A 229 -20.843 15.985 -1.244 1.00 0.00 H new ATOM 932 N LYS A 230 -13.449 14.097 0.664 1.00 0.00 N ATOM 933 CA LYS A 230 -11.995 13.882 0.409 1.00 0.00 C ATOM 934 C LYS A 230 -11.726 12.376 0.388 1.00 0.00 C ATOM 935 O LYS A 230 -11.944 11.683 1.361 1.00 0.00 O ATOM 936 CB LYS A 230 -11.151 14.545 1.508 1.00 0.00 C ATOM 937 CG LYS A 230 -11.445 16.050 1.556 1.00 0.00 C ATOM 938 CD LYS A 230 -10.510 16.737 2.568 1.00 0.00 C ATOM 939 CE LYS A 230 -11.135 18.051 3.051 1.00 0.00 C ATOM 940 NZ LYS A 230 -10.174 18.763 3.940 1.00 0.00 N ATOM 0 H LYS A 230 -13.695 14.334 1.625 1.00 0.00 H new ATOM 0 HA LYS A 230 -11.722 14.329 -0.547 1.00 0.00 H new ATOM 0 HB2 LYS A 230 -11.374 14.091 2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 230 -10.091 14.379 1.315 1.00 0.00 H new ATOM 0 HG2 LYS A 230 -11.308 16.487 0.567 1.00 0.00 H new ATOM 0 HG3 LYS A 230 -12.485 16.217 1.837 1.00 0.00 H new ATOM 0 HD2 LYS A 230 -10.331 16.077 3.416 1.00 0.00 H new ATOM 0 HD3 LYS A 230 -9.542 16.933 2.106 1.00 0.00 H new ATOM 0 HE2 LYS A 230 -11.391 18.679 2.198 1.00 0.00 H new ATOM 0 HE3 LYS A 230 -12.062 17.849 3.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 230 -10.599 19.654 4.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 230 -9.951 18.164 4.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 230 -9.301 18.968 3.414 1.00 0.00 H new ATOM 954 N ASN A 231 -11.269 11.862 -0.723 1.00 0.00 N ATOM 955 CA ASN A 231 -11.007 10.401 -0.806 1.00 0.00 C ATOM 956 C ASN A 231 -9.719 10.082 -0.051 1.00 0.00 C ATOM 957 O ASN A 231 -8.646 10.436 -0.492 1.00 0.00 O ATOM 958 CB ASN A 231 -10.822 9.998 -2.276 1.00 0.00 C ATOM 959 CG ASN A 231 -11.813 10.761 -3.152 1.00 0.00 C ATOM 960 OD1 ASN A 231 -13.003 10.524 -3.101 1.00 0.00 O ATOM 961 ND2 ASN A 231 -11.362 11.684 -3.958 1.00 0.00 N ATOM 0 H ASN A 231 -11.067 12.390 -1.572 1.00 0.00 H new ATOM 0 HA ASN A 231 -11.846 9.857 -0.373 1.00 0.00 H new ATOM 0 HB2 ASN A 231 -9.802 10.211 -2.595 1.00 0.00 H new ATOM 0 HB3 ASN A 231 -10.974 8.925 -2.390 1.00 0.00 H new ATOM 0 HD21 ASN A 231 -12.010 12.208 -4.547 1.00 0.00 H new ATOM 0 HD22 ASN A 231 -10.362 11.881 -3.999 1.00 0.00 H new ATOM 968 N THR A 232 -9.805 9.405 1.066 1.00 0.00 N ATOM 969 CA THR A 232 -8.559 9.053 1.821 1.00 0.00 C ATOM 970 C THR A 232 -8.514 7.552 2.046 1.00 0.00 C ATOM 971 O THR A 232 -9.524 6.916 2.278 1.00 0.00 O ATOM 972 CB THR A 232 -8.550 9.765 3.166 1.00 0.00 C ATOM 973 OG1 THR A 232 -9.662 9.340 3.940 1.00 0.00 O ATOM 974 CG2 THR A 232 -8.622 11.266 2.935 1.00 0.00 C ATOM 0 H THR A 232 -10.676 9.082 1.487 1.00 0.00 H new ATOM 0 HA THR A 232 -7.689 9.365 1.243 1.00 0.00 H new ATOM 0 HB THR A 232 -7.633 9.524 3.704 1.00 0.00 H new ATOM 0 HG1 THR A 232 -9.652 9.799 4.806 1.00 0.00 H new ATOM 0 HG21 THR A 232 -8.616 11.783 3.895 1.00 0.00 H new ATOM 0 HG22 THR A 232 -7.762 11.585 2.346 1.00 0.00 H new ATOM 0 HG23 THR A 232 -9.539 11.508 2.399 1.00 0.00 H new ATOM 982 N TRP A 233 -7.336 6.984 1.981 1.00 0.00 N ATOM 983 CA TRP A 233 -7.177 5.515 2.192 1.00 0.00 C ATOM 984 C TRP A 233 -6.278 5.261 3.393 1.00 0.00 C ATOM 985 O TRP A 233 -5.387 6.038 3.690 1.00 0.00 O ATOM 986 CB TRP A 233 -6.565 4.861 0.950 1.00 0.00 C ATOM 987 CG TRP A 233 -7.577 4.812 -0.152 1.00 0.00 C ATOM 988 CD1 TRP A 233 -7.891 5.842 -0.969 1.00 0.00 C ATOM 989 CD2 TRP A 233 -8.407 3.688 -0.572 1.00 0.00 C ATOM 990 NE1 TRP A 233 -8.866 5.424 -1.860 1.00 0.00 N ATOM 991 CE2 TRP A 233 -9.218 4.105 -1.653 1.00 0.00 C ATOM 992 CE3 TRP A 233 -8.536 2.362 -0.121 1.00 0.00 C ATOM 993 CZ2 TRP A 233 -10.123 3.236 -2.265 1.00 0.00 C ATOM 994 CZ3 TRP A 233 -9.445 1.485 -0.732 1.00 0.00 C ATOM 995 CH2 TRP A 233 -10.238 1.921 -1.801 1.00 0.00 C ATOM 0 H TRP A 233 -6.468 7.483 1.788 1.00 0.00 H new ATOM 0 HA TRP A 233 -8.160 5.081 2.373 1.00 0.00 H new ATOM 0 HB2 TRP A 233 -5.689 5.424 0.626 1.00 0.00 H new ATOM 0 HB3 TRP A 233 -6.226 3.853 1.189 1.00 0.00 H new ATOM 0 HD1 TRP A 233 -7.454 6.829 -0.933 1.00 0.00 H new ATOM 0 HE1 TRP A 233 -9.274 6.018 -2.581 1.00 0.00 H new ATOM 0 HE3 TRP A 233 -7.930 2.016 0.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 233 -10.730 3.576 -3.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 233 -9.534 0.469 -0.376 1.00 0.00 H new ATOM 0 HH2 TRP A 233 -10.938 1.243 -2.267 1.00 0.00 H new ATOM 1006 N GLU A 234 -6.509 4.173 4.086 1.00 0.00 N ATOM 1007 CA GLU A 234 -5.675 3.836 5.279 1.00 0.00 C ATOM 1008 C GLU A 234 -5.389 2.334 5.290 1.00 0.00 C ATOM 1009 O GLU A 234 -6.270 1.529 5.058 1.00 0.00 O ATOM 1010 CB GLU A 234 -6.433 4.196 6.554 1.00 0.00 C ATOM 1011 CG GLU A 234 -6.607 5.709 6.633 1.00 0.00 C ATOM 1012 CD GLU A 234 -7.133 6.079 8.018 1.00 0.00 C ATOM 1013 OE1 GLU A 234 -8.265 5.732 8.314 1.00 0.00 O ATOM 1014 OE2 GLU A 234 -6.399 6.713 8.756 1.00 0.00 O ATOM 0 H GLU A 234 -7.245 3.500 3.874 1.00 0.00 H new ATOM 0 HA GLU A 234 -4.741 4.396 5.232 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -7.407 3.707 6.561 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -5.889 3.836 7.427 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -5.656 6.207 6.446 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -7.301 6.049 5.864 1.00 0.00 H new ATOM 1021 N LEU A 235 -4.178 1.942 5.582 1.00 0.00 N ATOM 1022 CA LEU A 235 -3.874 0.482 5.625 1.00 0.00 C ATOM 1023 C LEU A 235 -4.564 -0.117 6.851 1.00 0.00 C ATOM 1024 O LEU A 235 -4.192 0.162 7.969 1.00 0.00 O ATOM 1025 CB LEU A 235 -2.360 0.261 5.741 1.00 0.00 C ATOM 1026 CG LEU A 235 -1.650 0.789 4.489 1.00 0.00 C ATOM 1027 CD1 LEU A 235 -0.134 0.623 4.660 1.00 0.00 C ATOM 1028 CD2 LEU A 235 -2.125 0.022 3.238 1.00 0.00 C ATOM 0 H LEU A 235 -3.394 2.561 5.790 1.00 0.00 H new ATOM 0 HA LEU A 235 -4.231 0.006 4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -1.978 0.769 6.626 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -2.149 -0.801 5.867 1.00 0.00 H new ATOM 0 HG LEU A 235 -1.891 1.844 4.359 1.00 0.00 H new ATOM 0 HD11 LEU A 235 0.375 0.997 3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 235 0.197 1.186 5.533 1.00 0.00 H new ATOM 0 HD13 LEU A 235 0.103 -0.432 4.797 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.612 0.409 2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -1.899 -1.038 3.354 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -3.200 0.153 3.118 1.00 0.00 H new ATOM 1040 N LYS A 236 -5.567 -0.931 6.658 1.00 0.00 N ATOM 1041 CA LYS A 236 -6.266 -1.525 7.829 1.00 0.00 C ATOM 1042 C LYS A 236 -5.265 -2.385 8.632 1.00 0.00 C ATOM 1043 O LYS A 236 -4.791 -3.385 8.133 1.00 0.00 O ATOM 1044 CB LYS A 236 -7.401 -2.417 7.328 1.00 0.00 C ATOM 1045 CG LYS A 236 -8.187 -2.939 8.530 1.00 0.00 C ATOM 1046 CD LYS A 236 -9.457 -3.671 8.066 1.00 0.00 C ATOM 1047 CE LYS A 236 -10.593 -2.664 7.832 1.00 0.00 C ATOM 1048 NZ LYS A 236 -10.868 -1.918 9.095 1.00 0.00 N ATOM 0 H LYS A 236 -5.929 -1.208 5.746 1.00 0.00 H new ATOM 0 HA LYS A 236 -6.666 -0.735 8.464 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -8.057 -1.855 6.664 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -6.999 -3.249 6.750 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -7.563 -3.616 9.114 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -8.457 -2.110 9.184 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -9.254 -4.221 7.147 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -9.758 -4.403 8.816 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -10.318 -1.968 7.039 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -11.492 -3.185 7.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -11.881 -1.982 9.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -10.312 -2.331 9.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -10.603 -0.920 8.973 1.00 0.00 H new ATOM 1062 N PRO A 237 -4.930 -2.018 9.856 1.00 0.00 N ATOM 1063 CA PRO A 237 -3.962 -2.799 10.688 1.00 0.00 C ATOM 1064 C PRO A 237 -4.614 -3.984 11.406 1.00 0.00 C ATOM 1065 O PRO A 237 -3.966 -4.732 12.109 1.00 0.00 O ATOM 1066 CB PRO A 237 -3.462 -1.767 11.701 1.00 0.00 C ATOM 1067 CG PRO A 237 -4.621 -0.840 11.909 1.00 0.00 C ATOM 1068 CD PRO A 237 -5.424 -0.834 10.595 1.00 0.00 C ATOM 0 HA PRO A 237 -3.174 -3.245 10.081 1.00 0.00 H new ATOM 0 HB2 PRO A 237 -3.164 -2.243 12.635 1.00 0.00 H new ATOM 0 HB3 PRO A 237 -2.591 -1.232 11.323 1.00 0.00 H new ATOM 0 HG2 PRO A 237 -5.241 -1.176 12.740 1.00 0.00 H new ATOM 0 HG3 PRO A 237 -4.274 0.164 12.155 1.00 0.00 H new ATOM 0 HD2 PRO A 237 -6.495 -0.902 10.784 1.00 0.00 H new ATOM 0 HD3 PRO A 237 -5.257 0.084 10.032 1.00 0.00 H new ATOM 1076 N GLU A 238 -5.895 -4.119 11.279 1.00 0.00 N ATOM 1077 CA GLU A 238 -6.613 -5.206 12.001 1.00 0.00 C ATOM 1078 C GLU A 238 -5.949 -6.576 11.784 1.00 0.00 C ATOM 1079 O GLU A 238 -5.819 -7.340 12.720 1.00 0.00 O ATOM 1080 CB GLU A 238 -8.061 -5.255 11.515 1.00 0.00 C ATOM 1081 CG GLU A 238 -8.750 -3.936 11.870 1.00 0.00 C ATOM 1082 CD GLU A 238 -10.260 -4.063 11.659 1.00 0.00 C ATOM 1083 OE1 GLU A 238 -10.665 -4.945 10.921 1.00 0.00 O ATOM 1084 OE2 GLU A 238 -10.986 -3.272 12.238 1.00 0.00 O ATOM 0 H GLU A 238 -6.486 -3.521 10.702 1.00 0.00 H new ATOM 0 HA GLU A 238 -6.575 -4.988 13.068 1.00 0.00 H new ATOM 0 HB2 GLU A 238 -8.091 -5.418 10.438 1.00 0.00 H new ATOM 0 HB3 GLU A 238 -8.586 -6.091 11.978 1.00 0.00 H new ATOM 0 HG2 GLU A 238 -8.540 -3.674 12.907 1.00 0.00 H new ATOM 0 HG3 GLU A 238 -8.354 -3.131 11.251 1.00 0.00 H new ATOM 1091 N TYR A 239 -5.547 -6.917 10.574 1.00 0.00 N ATOM 1092 CA TYR A 239 -4.922 -8.272 10.341 1.00 0.00 C ATOM 1093 C TYR A 239 -3.623 -8.196 9.538 1.00 0.00 C ATOM 1094 O TYR A 239 -3.295 -9.127 8.830 1.00 0.00 O ATOM 1095 CB TYR A 239 -5.899 -9.164 9.582 1.00 0.00 C ATOM 1096 CG TYR A 239 -6.159 -8.584 8.216 1.00 0.00 C ATOM 1097 CD1 TYR A 239 -7.000 -7.480 8.097 1.00 0.00 C ATOM 1098 CD2 TYR A 239 -5.569 -9.146 7.075 1.00 0.00 C ATOM 1099 CE1 TYR A 239 -7.259 -6.927 6.844 1.00 0.00 C ATOM 1100 CE2 TYR A 239 -5.829 -8.597 5.813 1.00 0.00 C ATOM 1101 CZ TYR A 239 -6.675 -7.485 5.698 1.00 0.00 C ATOM 1102 OH TYR A 239 -6.934 -6.943 4.457 1.00 0.00 O ATOM 0 H TYR A 239 -5.623 -6.325 9.747 1.00 0.00 H new ATOM 0 HA TYR A 239 -4.690 -8.682 11.324 1.00 0.00 H new ATOM 0 HB2 TYR A 239 -5.491 -10.170 9.489 1.00 0.00 H new ATOM 0 HB3 TYR A 239 -6.834 -9.249 10.136 1.00 0.00 H new ATOM 0 HD1 TYR A 239 -7.453 -7.051 8.979 1.00 0.00 H new ATOM 0 HD2 TYR A 239 -4.915 -10.001 7.169 1.00 0.00 H new ATOM 0 HE1 TYR A 239 -7.909 -6.069 6.756 1.00 0.00 H new ATOM 0 HE2 TYR A 239 -5.379 -9.029 4.931 1.00 0.00 H new ATOM 0 HH TYR A 239 -7.720 -6.360 4.512 1.00 0.00 H new ATOM 1112 N ARG A 240 -2.859 -7.147 9.630 1.00 0.00 N ATOM 1113 CA ARG A 240 -1.588 -7.140 8.849 1.00 0.00 C ATOM 1114 C ARG A 240 -0.601 -8.089 9.535 1.00 0.00 C ATOM 1115 O ARG A 240 0.071 -7.721 10.478 1.00 0.00 O ATOM 1116 CB ARG A 240 -0.978 -5.722 8.787 1.00 0.00 C ATOM 1117 CG ARG A 240 -1.661 -4.850 7.694 1.00 0.00 C ATOM 1118 CD ARG A 240 -0.603 -4.000 6.971 1.00 0.00 C ATOM 1119 NE ARG A 240 0.189 -3.211 7.972 1.00 0.00 N ATOM 1120 CZ ARG A 240 -0.376 -2.358 8.781 1.00 0.00 C ATOM 1121 NH1 ARG A 240 -1.628 -2.028 8.628 1.00 0.00 N ATOM 1122 NH2 ARG A 240 0.334 -1.796 9.722 1.00 0.00 N ATOM 0 H ARG A 240 -3.047 -6.317 10.192 1.00 0.00 H new ATOM 0 HA ARG A 240 -1.793 -7.462 7.828 1.00 0.00 H new ATOM 0 HB2 ARG A 240 -1.083 -5.238 9.758 1.00 0.00 H new ATOM 0 HB3 ARG A 240 0.090 -5.794 8.581 1.00 0.00 H new ATOM 0 HG2 ARG A 240 -2.180 -5.488 6.978 1.00 0.00 H new ATOM 0 HG3 ARG A 240 -2.412 -4.204 8.148 1.00 0.00 H new ATOM 0 HD2 ARG A 240 0.061 -4.644 6.394 1.00 0.00 H new ATOM 0 HD3 ARG A 240 -1.086 -3.326 6.264 1.00 0.00 H new ATOM 0 HE ARG A 240 1.199 -3.346 8.021 1.00 0.00 H new ATOM 0 HH11 ARG A 240 -2.175 -2.438 7.871 1.00 0.00 H new ATOM 0 HH12 ARG A 240 -2.061 -1.360 9.266 1.00 0.00 H new ATOM 0 HH21 ARG A 240 1.323 -2.025 9.820 1.00 0.00 H new ATOM 0 HH22 ARG A 240 -0.101 -1.128 10.359 1.00 0.00 H new ATOM 1136 N HIS A 241 -0.501 -9.306 9.063 1.00 0.00 N ATOM 1137 CA HIS A 241 0.454 -10.267 9.686 1.00 0.00 C ATOM 1138 C HIS A 241 1.832 -10.013 9.081 1.00 0.00 C ATOM 1139 O HIS A 241 2.824 -10.582 9.489 1.00 0.00 O ATOM 1140 CB HIS A 241 0.008 -11.708 9.415 1.00 0.00 C ATOM 1141 CG HIS A 241 -1.355 -11.930 10.016 1.00 0.00 C ATOM 1142 ND1 HIS A 241 -1.531 -12.265 11.351 1.00 0.00 N ATOM 1143 CD2 HIS A 241 -2.618 -11.867 9.478 1.00 0.00 C ATOM 1144 CE1 HIS A 241 -2.853 -12.388 11.569 1.00 0.00 C ATOM 1145 NE2 HIS A 241 -3.561 -12.157 10.460 1.00 0.00 N ATOM 0 H HIS A 241 -1.037 -9.673 8.277 1.00 0.00 H new ATOM 0 HA HIS A 241 0.485 -10.126 10.766 1.00 0.00 H new ATOM 0 HB2 HIS A 241 -0.020 -11.896 8.342 1.00 0.00 H new ATOM 0 HB3 HIS A 241 0.725 -12.409 9.843 1.00 0.00 H new ATOM 0 HD2 HIS A 241 -2.845 -11.629 8.449 1.00 0.00 H new ATOM 0 HE1 HIS A 241 -3.289 -12.642 12.524 1.00 0.00 H new ATOM 0 HE2 HIS A 241 -4.575 -12.187 10.355 1.00 0.00 H new ATOM 1153 N TYR A 242 1.890 -9.133 8.117 1.00 0.00 N ATOM 1154 CA TYR A 242 3.188 -8.783 7.475 1.00 0.00 C ATOM 1155 C TYR A 242 3.784 -7.583 8.221 1.00 0.00 C ATOM 1156 O TYR A 242 3.551 -6.443 7.874 1.00 0.00 O ATOM 1157 CB TYR A 242 2.926 -8.423 6.006 1.00 0.00 C ATOM 1158 CG TYR A 242 4.139 -7.756 5.395 1.00 0.00 C ATOM 1159 CD1 TYR A 242 5.278 -8.506 5.075 1.00 0.00 C ATOM 1160 CD2 TYR A 242 4.115 -6.379 5.144 1.00 0.00 C ATOM 1161 CE1 TYR A 242 6.393 -7.874 4.506 1.00 0.00 C ATOM 1162 CE2 TYR A 242 5.222 -5.749 4.578 1.00 0.00 C ATOM 1163 CZ TYR A 242 6.365 -6.494 4.257 1.00 0.00 C ATOM 1164 OH TYR A 242 7.462 -5.872 3.695 1.00 0.00 O ATOM 0 H TYR A 242 1.081 -8.636 7.743 1.00 0.00 H new ATOM 0 HA TYR A 242 3.886 -9.619 7.517 1.00 0.00 H new ATOM 0 HB2 TYR A 242 2.678 -9.324 5.444 1.00 0.00 H new ATOM 0 HB3 TYR A 242 2.065 -7.758 5.937 1.00 0.00 H new ATOM 0 HD1 TYR A 242 5.297 -9.569 5.266 1.00 0.00 H new ATOM 0 HD2 TYR A 242 3.235 -5.803 5.390 1.00 0.00 H new ATOM 0 HE1 TYR A 242 7.273 -8.450 4.260 1.00 0.00 H new ATOM 0 HE2 TYR A 242 5.199 -4.686 4.387 1.00 0.00 H new ATOM 0 HH TYR A 242 7.171 -5.072 3.210 1.00 0.00 H new ATOM 1174 N GLN A 243 4.551 -7.839 9.252 1.00 0.00 N ATOM 1175 CA GLN A 243 5.166 -6.727 10.037 1.00 0.00 C ATOM 1176 C GLN A 243 6.504 -7.198 10.608 1.00 0.00 C ATOM 1177 O GLN A 243 6.631 -8.314 11.070 1.00 0.00 O ATOM 1178 CB GLN A 243 4.237 -6.331 11.195 1.00 0.00 C ATOM 1179 CG GLN A 243 3.006 -5.600 10.648 1.00 0.00 C ATOM 1180 CD GLN A 243 2.167 -5.056 11.811 1.00 0.00 C ATOM 1181 OE1 GLN A 243 2.686 -4.788 12.877 1.00 0.00 O ATOM 1182 NE2 GLN A 243 0.883 -4.878 11.650 1.00 0.00 N ATOM 0 H GLN A 243 4.778 -8.776 9.584 1.00 0.00 H new ATOM 0 HA GLN A 243 5.319 -5.866 9.386 1.00 0.00 H new ATOM 0 HB2 GLN A 243 3.928 -7.220 11.746 1.00 0.00 H new ATOM 0 HB3 GLN A 243 4.770 -5.690 11.897 1.00 0.00 H new ATOM 0 HG2 GLN A 243 3.316 -4.782 9.997 1.00 0.00 H new ATOM 0 HG3 GLN A 243 2.407 -6.280 10.042 1.00 0.00 H new ATOM 0 HE21 GLN A 243 0.445 -5.102 10.756 1.00 0.00 H new ATOM 0 HE22 GLN A 243 0.318 -4.515 12.418 1.00 0.00 H new TER 1191 GLN A 243