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= -1.76! C(o=-2.1!,f=-2.5!) USER MOD Set 1.2: A 232 THR OG1 : rot 180:sc= -0.373 USER MOD Set 2.1: A 226 LYS NZ :NH3+ -109:sc= -1.64 (180deg=-2.06!) USER MOD Set 2.2: A 230 LYS NZ :NH3+ 173:sc= -2.16! (180deg=-1.57) USER MOD Set 3.1: A 194 HIS : no HD1:sc= -0.969 X(o=-1.1,f=-1.1) USER MOD Set 3.2: A 197 TYR OH : rot 65:sc= -0.0922 USER MOD Set 4.1: A 181 GLN : amide:sc= -4.9! C(o=-4.8!,f=-3.8!) USER MOD Set 4.2: A 242 TYR OH : rot -155:sc= 0.0638 USER MOD Single : A 180 LYS NZ :NH3+ -155:sc= -0.362 (180deg=-1.57) USER MOD Single : A 182 HIS : no HD1:sc=-0.00266 X(o=-0.0027,f=-0.097) USER MOD Single : A 186 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 189 SER OG : rot -29:sc= -0.0513 USER MOD Single : A 193 LYS NZ :NH3+ -127:sc= 0.137 (180deg=-0.239) USER MOD Single : A 195 GLN : amide:sc= -0.155 X(o=-0.15,f=-0.15) USER MOD Single : A 196 TYR OH : rot 180:sc= 0 USER MOD Single : A 198 ASN : amide:sc= -2.56 K(o=-2.6,f=-14!) USER MOD Single : A 200 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 THR OG1 : rot 28:sc= -0.266 USER MOD Single : A 207 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 GLN : amide:sc= -2.86! C(o=-2.9!,f=-3.2!) USER MOD Single : A 212 TYR OH : rot 69:sc= 0.854 USER MOD Single : A 214 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 GLN : amide:sc= -11.9! C(o=-12!,f=-2!) USER MOD Single : A 229 HIS : no HD1:sc= -0.0675 X(o=-0.067,f=-0.07) USER MOD Single : A 231 ASN : amide:sc= -0.192 X(o=-0.19,f=-0.2) USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 239 TYR OH : rot -9:sc= -1.24 USER MOD Single : A 241 HIS : no HD1:sc= -0.574 K(o=-0.57,f=-0.06) USER MOD Single : A 243 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 175 4.477 -13.545 -10.529 1.00 0.00 N ATOM 2 CA ARG A 175 4.008 -12.659 -11.631 1.00 0.00 C ATOM 3 C ARG A 175 4.164 -11.199 -11.206 1.00 0.00 C ATOM 4 O ARG A 175 5.206 -10.784 -10.739 1.00 0.00 O ATOM 5 CB ARG A 175 2.534 -12.950 -11.939 1.00 0.00 C ATOM 6 CG ARG A 175 1.695 -12.867 -10.649 1.00 0.00 C ATOM 7 CD ARG A 175 0.237 -12.588 -11.003 1.00 0.00 C ATOM 8 NE ARG A 175 -0.285 -13.739 -11.789 1.00 0.00 N ATOM 9 CZ ARG A 175 -1.558 -13.832 -12.052 1.00 0.00 C ATOM 10 NH1 ARG A 175 -2.381 -12.926 -11.603 1.00 0.00 N ATOM 11 NH2 ARG A 175 -2.007 -14.837 -12.756 1.00 0.00 N ATOM 0 HA ARG A 175 4.603 -12.846 -12.525 1.00 0.00 H new ATOM 0 HB2 ARG A 175 2.160 -12.235 -12.672 1.00 0.00 H new ATOM 0 HB3 ARG A 175 2.436 -13.941 -12.382 1.00 0.00 H new ATOM 0 HG2 ARG A 175 1.772 -13.801 -10.092 1.00 0.00 H new ATOM 0 HG3 ARG A 175 2.080 -12.078 -10.003 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -0.353 -12.449 -10.097 1.00 0.00 H new ATOM 0 HD3 ARG A 175 0.157 -11.667 -11.580 1.00 0.00 H new ATOM 0 HE ARG A 175 0.356 -14.458 -12.123 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -2.028 -12.147 -11.047 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -3.378 -12.996 -11.807 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -1.361 -15.548 -13.099 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -3.003 -14.910 -12.962 1.00 0.00 H new ATOM 25 N ALA A 176 3.136 -10.418 -11.359 1.00 0.00 N ATOM 26 CA ALA A 176 3.231 -8.996 -10.957 1.00 0.00 C ATOM 27 C ALA A 176 3.187 -8.900 -9.435 1.00 0.00 C ATOM 28 O ALA A 176 3.087 -7.828 -8.879 1.00 0.00 O ATOM 29 CB ALA A 176 2.071 -8.216 -11.559 1.00 0.00 C ATOM 0 H ALA A 176 2.236 -10.704 -11.745 1.00 0.00 H new ATOM 0 HA ALA A 176 4.168 -8.574 -11.319 1.00 0.00 H new ATOM 0 HB1 ALA A 176 2.143 -7.170 -11.262 1.00 0.00 H new ATOM 0 HB2 ALA A 176 2.109 -8.288 -12.646 1.00 0.00 H new ATOM 0 HB3 ALA A 176 1.129 -8.631 -11.201 1.00 0.00 H new ATOM 35 N ARG A 177 3.262 -10.012 -8.754 1.00 0.00 N ATOM 36 CA ARG A 177 3.224 -9.970 -7.267 1.00 0.00 C ATOM 37 C ARG A 177 4.499 -9.298 -6.759 1.00 0.00 C ATOM 38 O ARG A 177 4.571 -8.860 -5.629 1.00 0.00 O ATOM 39 CB ARG A 177 3.140 -11.391 -6.699 1.00 0.00 C ATOM 40 CG ARG A 177 2.867 -11.320 -5.193 1.00 0.00 C ATOM 41 CD ARG A 177 2.765 -12.726 -4.613 1.00 0.00 C ATOM 42 NE ARG A 177 1.898 -13.580 -5.493 1.00 0.00 N ATOM 43 CZ ARG A 177 0.650 -13.282 -5.718 1.00 0.00 C ATOM 44 NH1 ARG A 177 0.079 -12.303 -5.070 1.00 0.00 N ATOM 45 NH2 ARG A 177 -0.053 -13.998 -6.557 1.00 0.00 N ATOM 0 H ARG A 177 3.348 -10.943 -9.162 1.00 0.00 H new ATOM 0 HA ARG A 177 2.347 -9.408 -6.944 1.00 0.00 H new ATOM 0 HB2 ARG A 177 2.347 -11.948 -7.198 1.00 0.00 H new ATOM 0 HB3 ARG A 177 4.071 -11.925 -6.886 1.00 0.00 H new ATOM 0 HG2 ARG A 177 3.666 -10.770 -4.696 1.00 0.00 H new ATOM 0 HG3 ARG A 177 1.942 -10.774 -5.008 1.00 0.00 H new ATOM 0 HD2 ARG A 177 3.758 -13.167 -4.528 1.00 0.00 H new ATOM 0 HD3 ARG A 177 2.348 -12.684 -3.607 1.00 0.00 H new ATOM 0 HE ARG A 177 2.296 -14.414 -5.925 1.00 0.00 H new ATOM 0 HH11 ARG A 177 0.610 -11.767 -4.384 1.00 0.00 H new ATOM 0 HH12 ARG A 177 -0.898 -12.074 -5.250 1.00 0.00 H new ATOM 0 HH21 ARG A 177 0.376 -14.790 -7.035 1.00 0.00 H new ATOM 0 HH22 ARG A 177 -1.030 -13.764 -6.733 1.00 0.00 H new ATOM 59 N ALA A 178 5.503 -9.190 -7.585 1.00 0.00 N ATOM 60 CA ALA A 178 6.747 -8.520 -7.120 1.00 0.00 C ATOM 61 C ALA A 178 6.384 -7.097 -6.755 1.00 0.00 C ATOM 62 O ALA A 178 6.688 -6.610 -5.681 1.00 0.00 O ATOM 63 CB ALA A 178 7.776 -8.499 -8.246 1.00 0.00 C ATOM 0 H ALA A 178 5.516 -9.531 -8.546 1.00 0.00 H new ATOM 0 HA ALA A 178 7.170 -9.051 -6.267 1.00 0.00 H new ATOM 0 HB1 ALA A 178 8.685 -8.007 -7.899 1.00 0.00 H new ATOM 0 HB2 ALA A 178 8.008 -9.521 -8.546 1.00 0.00 H new ATOM 0 HB3 ALA A 178 7.371 -7.954 -9.099 1.00 0.00 H new ATOM 69 N ASP A 179 5.702 -6.438 -7.634 1.00 0.00 N ATOM 70 CA ASP A 179 5.271 -5.057 -7.345 1.00 0.00 C ATOM 71 C ASP A 179 4.354 -5.077 -6.117 1.00 0.00 C ATOM 72 O ASP A 179 4.428 -4.233 -5.261 1.00 0.00 O ATOM 73 CB ASP A 179 4.507 -4.505 -8.547 1.00 0.00 C ATOM 74 CG ASP A 179 5.486 -4.212 -9.693 1.00 0.00 C ATOM 75 OD1 ASP A 179 6.683 -4.247 -9.449 1.00 0.00 O ATOM 76 OD2 ASP A 179 5.021 -3.955 -10.793 1.00 0.00 O ATOM 0 H ASP A 179 5.423 -6.799 -8.546 1.00 0.00 H new ATOM 0 HA ASP A 179 6.138 -4.425 -7.150 1.00 0.00 H new ATOM 0 HB2 ASP A 179 3.755 -5.223 -8.873 1.00 0.00 H new ATOM 0 HB3 ASP A 179 3.977 -3.594 -8.267 1.00 0.00 H new ATOM 81 N LYS A 180 3.479 -6.033 -6.027 1.00 0.00 N ATOM 82 CA LYS A 180 2.556 -6.069 -4.857 1.00 0.00 C ATOM 83 C LYS A 180 3.339 -5.907 -3.549 1.00 0.00 C ATOM 84 O LYS A 180 3.161 -4.946 -2.827 1.00 0.00 O ATOM 85 CB LYS A 180 1.806 -7.409 -4.840 1.00 0.00 C ATOM 86 CG LYS A 180 0.770 -7.404 -3.708 1.00 0.00 C ATOM 87 CD LYS A 180 0.052 -8.757 -3.634 1.00 0.00 C ATOM 88 CE LYS A 180 -0.719 -9.023 -4.931 1.00 0.00 C ATOM 89 NZ LYS A 180 -1.810 -9.990 -4.640 1.00 0.00 N ATOM 0 H LYS A 180 3.360 -6.786 -6.704 1.00 0.00 H new ATOM 0 HA LYS A 180 1.846 -5.247 -4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 180 1.312 -7.573 -5.798 1.00 0.00 H new ATOM 0 HB3 LYS A 180 2.510 -8.229 -4.699 1.00 0.00 H new ATOM 0 HG2 LYS A 180 1.261 -7.193 -2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 180 0.044 -6.608 -3.875 1.00 0.00 H new ATOM 0 HD2 LYS A 180 0.778 -9.552 -3.465 1.00 0.00 H new ATOM 0 HD3 LYS A 180 -0.634 -8.766 -2.787 1.00 0.00 H new ATOM 0 HE2 LYS A 180 -1.131 -8.094 -5.324 1.00 0.00 H new ATOM 0 HE3 LYS A 180 -0.051 -9.423 -5.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 -2.063 -10.500 -5.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 -1.489 -10.670 -3.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 -2.642 -9.478 -4.285 1.00 0.00 H new ATOM 103 N GLN A 181 4.189 -6.839 -3.230 1.00 0.00 N ATOM 104 CA GLN A 181 4.962 -6.737 -1.956 1.00 0.00 C ATOM 105 C GLN A 181 5.835 -5.477 -1.963 1.00 0.00 C ATOM 106 O GLN A 181 5.889 -4.743 -0.996 1.00 0.00 O ATOM 107 CB GLN A 181 5.830 -7.989 -1.790 1.00 0.00 C ATOM 108 CG GLN A 181 6.469 -8.003 -0.399 1.00 0.00 C ATOM 109 CD GLN A 181 7.642 -7.025 -0.353 1.00 0.00 C ATOM 110 OE1 GLN A 181 8.690 -7.275 -0.918 1.00 0.00 O ATOM 111 NE2 GLN A 181 7.503 -5.905 0.296 1.00 0.00 N ATOM 0 H GLN A 181 4.385 -7.667 -3.793 1.00 0.00 H new ATOM 0 HA GLN A 181 4.270 -6.666 -1.117 1.00 0.00 H new ATOM 0 HB2 GLN A 181 5.223 -8.883 -1.929 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.606 -8.008 -2.556 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.728 -7.731 0.353 1.00 0.00 H new ATOM 0 HG3 GLN A 181 6.814 -9.009 -0.158 1.00 0.00 H new ATOM 0 HE21 GLN A 181 6.624 -5.696 0.770 1.00 0.00 H new ATOM 0 HE22 GLN A 181 8.273 -5.237 0.331 1.00 0.00 H new ATOM 120 N HIS A 182 6.503 -5.213 -3.045 1.00 0.00 N ATOM 121 CA HIS A 182 7.363 -4.003 -3.125 1.00 0.00 C ATOM 122 C HIS A 182 6.491 -2.745 -3.038 1.00 0.00 C ATOM 123 O HIS A 182 6.880 -1.745 -2.467 1.00 0.00 O ATOM 124 CB HIS A 182 8.106 -4.049 -4.454 1.00 0.00 C ATOM 125 CG HIS A 182 8.991 -2.854 -4.601 1.00 0.00 C ATOM 126 ND1 HIS A 182 9.783 -2.378 -3.573 1.00 0.00 N ATOM 127 CD2 HIS A 182 9.212 -2.027 -5.664 1.00 0.00 C ATOM 128 CE1 HIS A 182 10.439 -1.300 -4.037 1.00 0.00 C ATOM 129 NE2 HIS A 182 10.129 -1.043 -5.309 1.00 0.00 N ATOM 0 H HIS A 182 6.491 -5.789 -3.887 1.00 0.00 H new ATOM 0 HA HIS A 182 8.076 -3.978 -2.301 1.00 0.00 H new ATOM 0 HB2 HIS A 182 8.702 -4.960 -4.513 1.00 0.00 H new ATOM 0 HB3 HIS A 182 7.391 -4.083 -5.276 1.00 0.00 H new ATOM 0 HD2 HIS A 182 8.746 -2.122 -6.634 1.00 0.00 H new ATOM 0 HE1 HIS A 182 11.132 -0.714 -3.452 1.00 0.00 H new ATOM 0 HE2 HIS A 182 10.487 -0.288 -5.894 1.00 0.00 H new ATOM 137 N VAL A 183 5.308 -2.787 -3.589 1.00 0.00 N ATOM 138 CA VAL A 183 4.421 -1.596 -3.529 1.00 0.00 C ATOM 139 C VAL A 183 4.011 -1.347 -2.077 1.00 0.00 C ATOM 140 O VAL A 183 3.958 -0.218 -1.637 1.00 0.00 O ATOM 141 CB VAL A 183 3.182 -1.842 -4.405 1.00 0.00 C ATOM 142 CG1 VAL A 183 2.110 -0.783 -4.110 1.00 0.00 C ATOM 143 CG2 VAL A 183 3.576 -1.769 -5.897 1.00 0.00 C ATOM 0 H VAL A 183 4.920 -3.594 -4.077 1.00 0.00 H new ATOM 0 HA VAL A 183 4.946 -0.717 -3.902 1.00 0.00 H new ATOM 0 HB VAL A 183 2.782 -2.831 -4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 183 1.236 -0.966 -4.735 1.00 0.00 H new ATOM 0 HG12 VAL A 183 1.823 -0.839 -3.060 1.00 0.00 H new ATOM 0 HG13 VAL A 183 2.509 0.208 -4.325 1.00 0.00 H new ATOM 0 HG21 VAL A 183 2.695 -1.944 -6.515 1.00 0.00 H new ATOM 0 HG22 VAL A 183 3.984 -0.783 -6.118 1.00 0.00 H new ATOM 0 HG23 VAL A 183 4.327 -2.529 -6.113 1.00 0.00 H new ATOM 153 N LEU A 184 3.730 -2.374 -1.315 1.00 0.00 N ATOM 154 CA LEU A 184 3.340 -2.132 0.100 1.00 0.00 C ATOM 155 C LEU A 184 4.451 -1.339 0.787 1.00 0.00 C ATOM 156 O LEU A 184 4.193 -0.432 1.551 1.00 0.00 O ATOM 157 CB LEU A 184 3.132 -3.462 0.828 1.00 0.00 C ATOM 158 CG LEU A 184 1.937 -4.213 0.235 1.00 0.00 C ATOM 159 CD1 LEU A 184 1.811 -5.562 0.939 1.00 0.00 C ATOM 160 CD2 LEU A 184 0.639 -3.408 0.425 1.00 0.00 C ATOM 0 H LEU A 184 3.754 -3.351 -1.607 1.00 0.00 H new ATOM 0 HA LEU A 184 2.406 -1.571 0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 184 4.031 -4.073 0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 184 2.965 -3.281 1.890 1.00 0.00 H new ATOM 0 HG LEU A 184 2.097 -4.356 -0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 184 0.963 -6.110 0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 184 2.724 -6.138 0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 184 1.656 -5.402 2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -0.197 -3.960 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 184 0.462 -3.249 1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.732 -2.444 -0.075 1.00 0.00 H new ATOM 172 N ASP A 185 5.687 -1.655 0.508 1.00 0.00 N ATOM 173 CA ASP A 185 6.792 -0.884 1.149 1.00 0.00 C ATOM 174 C ASP A 185 6.588 0.600 0.849 1.00 0.00 C ATOM 175 O ASP A 185 6.745 1.444 1.713 1.00 0.00 O ATOM 176 CB ASP A 185 8.142 -1.321 0.580 1.00 0.00 C ATOM 177 CG ASP A 185 8.489 -2.721 1.082 1.00 0.00 C ATOM 178 OD1 ASP A 185 8.053 -3.067 2.167 1.00 0.00 O ATOM 179 OD2 ASP A 185 9.190 -3.423 0.374 1.00 0.00 O ATOM 0 H ASP A 185 5.977 -2.400 -0.125 1.00 0.00 H new ATOM 0 HA ASP A 185 6.782 -1.066 2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 185 8.107 -1.314 -0.509 1.00 0.00 H new ATOM 0 HB3 ASP A 185 8.918 -0.616 0.878 1.00 0.00 H new ATOM 184 N MET A 186 6.235 0.929 -0.365 1.00 0.00 N ATOM 185 CA MET A 186 6.018 2.365 -0.698 1.00 0.00 C ATOM 186 C MET A 186 4.857 2.890 0.136 1.00 0.00 C ATOM 187 O MET A 186 4.849 4.028 0.556 1.00 0.00 O ATOM 188 CB MET A 186 5.686 2.527 -2.185 1.00 0.00 C ATOM 189 CG MET A 186 6.881 2.088 -3.039 1.00 0.00 C ATOM 190 SD MET A 186 8.268 3.224 -2.770 1.00 0.00 S ATOM 191 CE MET A 186 9.324 2.655 -4.131 1.00 0.00 C ATOM 0 H MET A 186 6.089 0.273 -1.132 1.00 0.00 H new ATOM 0 HA MET A 186 6.927 2.925 -0.480 1.00 0.00 H new ATOM 0 HB2 MET A 186 4.809 1.931 -2.438 1.00 0.00 H new ATOM 0 HB3 MET A 186 5.437 3.566 -2.400 1.00 0.00 H new ATOM 0 HG2 MET A 186 7.174 1.071 -2.778 1.00 0.00 H new ATOM 0 HG3 MET A 186 6.604 2.079 -4.093 1.00 0.00 H new ATOM 0 HE1 MET A 186 10.246 3.236 -4.143 1.00 0.00 H new ATOM 0 HE2 MET A 186 9.561 1.600 -3.991 1.00 0.00 H new ATOM 0 HE3 MET A 186 8.800 2.787 -5.078 1.00 0.00 H new ATOM 201 N LEU A 187 3.871 2.072 0.383 1.00 0.00 N ATOM 202 CA LEU A 187 2.719 2.539 1.192 1.00 0.00 C ATOM 203 C LEU A 187 3.195 2.803 2.615 1.00 0.00 C ATOM 204 O LEU A 187 2.924 3.834 3.191 1.00 0.00 O ATOM 205 CB LEU A 187 1.633 1.464 1.232 1.00 0.00 C ATOM 206 CG LEU A 187 1.201 1.081 -0.185 1.00 0.00 C ATOM 207 CD1 LEU A 187 0.049 0.073 -0.102 1.00 0.00 C ATOM 208 CD2 LEU A 187 0.747 2.332 -0.950 1.00 0.00 C ATOM 0 H LEU A 187 3.816 1.106 0.060 1.00 0.00 H new ATOM 0 HA LEU A 187 2.312 3.447 0.746 1.00 0.00 H new ATOM 0 HB2 LEU A 187 2.005 0.583 1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 187 0.773 1.829 1.794 1.00 0.00 H new ATOM 0 HG LEU A 187 2.042 0.633 -0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -0.265 -0.205 -1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 187 0.382 -0.816 0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -0.790 0.523 0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 187 0.441 2.051 -1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 187 -0.094 2.791 -0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 187 1.571 3.043 -1.006 1.00 0.00 H new ATOM 220 N PHE A 188 3.912 1.876 3.187 1.00 0.00 N ATOM 221 CA PHE A 188 4.396 2.089 4.572 1.00 0.00 C ATOM 222 C PHE A 188 5.228 3.365 4.611 1.00 0.00 C ATOM 223 O PHE A 188 5.080 4.177 5.497 1.00 0.00 O ATOM 224 CB PHE A 188 5.237 0.893 5.030 1.00 0.00 C ATOM 225 CG PHE A 188 4.321 -0.254 5.387 1.00 0.00 C ATOM 226 CD1 PHE A 188 3.581 -0.210 6.575 1.00 0.00 C ATOM 227 CD2 PHE A 188 4.203 -1.360 4.536 1.00 0.00 C ATOM 228 CE1 PHE A 188 2.730 -1.265 6.915 1.00 0.00 C ATOM 229 CE2 PHE A 188 3.352 -2.417 4.879 1.00 0.00 C ATOM 230 CZ PHE A 188 2.613 -2.369 6.067 1.00 0.00 C ATOM 0 H PHE A 188 4.180 0.990 2.758 1.00 0.00 H new ATOM 0 HA PHE A 188 3.545 2.185 5.247 1.00 0.00 H new ATOM 0 HB2 PHE A 188 5.924 0.592 4.239 1.00 0.00 H new ATOM 0 HB3 PHE A 188 5.845 1.170 5.891 1.00 0.00 H new ATOM 0 HD1 PHE A 188 3.668 0.643 7.231 1.00 0.00 H new ATOM 0 HD2 PHE A 188 4.768 -1.397 3.616 1.00 0.00 H new ATOM 0 HE1 PHE A 188 2.163 -1.227 7.833 1.00 0.00 H new ATOM 0 HE2 PHE A 188 3.265 -3.272 4.225 1.00 0.00 H new ATOM 0 HZ PHE A 188 1.954 -3.184 6.327 1.00 0.00 H new ATOM 240 N SER A 189 6.073 3.567 3.642 1.00 0.00 N ATOM 241 CA SER A 189 6.882 4.814 3.625 1.00 0.00 C ATOM 242 C SER A 189 5.925 5.995 3.488 1.00 0.00 C ATOM 243 O SER A 189 6.042 6.997 4.170 1.00 0.00 O ATOM 244 CB SER A 189 7.855 4.782 2.444 1.00 0.00 C ATOM 245 OG SER A 189 7.123 4.718 1.227 1.00 0.00 O ATOM 0 H SER A 189 6.238 2.927 2.865 1.00 0.00 H new ATOM 0 HA SER A 189 7.461 4.907 4.544 1.00 0.00 H new ATOM 0 HB2 SER A 189 8.486 5.671 2.455 1.00 0.00 H new ATOM 0 HB3 SER A 189 8.517 3.920 2.528 1.00 0.00 H new ATOM 0 HG SER A 189 6.272 4.257 1.381 1.00 0.00 H new ATOM 251 N ALA A 190 4.961 5.873 2.623 1.00 0.00 N ATOM 252 CA ALA A 190 3.979 6.972 2.457 1.00 0.00 C ATOM 253 C ALA A 190 3.186 7.127 3.757 1.00 0.00 C ATOM 254 O ALA A 190 3.074 8.203 4.298 1.00 0.00 O ATOM 255 CB ALA A 190 3.024 6.648 1.306 1.00 0.00 C ATOM 0 H ALA A 190 4.812 5.060 2.025 1.00 0.00 H new ATOM 0 HA ALA A 190 4.502 7.900 2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 190 2.306 7.459 1.190 1.00 0.00 H new ATOM 0 HB2 ALA A 190 3.592 6.532 0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 190 2.493 5.722 1.524 1.00 0.00 H new ATOM 261 N PHE A 191 2.650 6.045 4.262 1.00 0.00 N ATOM 262 CA PHE A 191 1.863 6.111 5.528 1.00 0.00 C ATOM 263 C PHE A 191 2.789 6.447 6.703 1.00 0.00 C ATOM 264 O PHE A 191 2.349 6.923 7.730 1.00 0.00 O ATOM 265 CB PHE A 191 1.155 4.769 5.766 1.00 0.00 C ATOM 266 CG PHE A 191 -0.104 4.702 4.921 1.00 0.00 C ATOM 267 CD1 PHE A 191 -1.203 5.497 5.255 1.00 0.00 C ATOM 268 CD2 PHE A 191 -0.171 3.848 3.814 1.00 0.00 C ATOM 269 CE1 PHE A 191 -2.373 5.442 4.485 1.00 0.00 C ATOM 270 CE2 PHE A 191 -1.343 3.788 3.041 1.00 0.00 C ATOM 271 CZ PHE A 191 -2.445 4.587 3.378 1.00 0.00 C ATOM 0 H PHE A 191 2.725 5.115 3.849 1.00 0.00 H new ATOM 0 HA PHE A 191 1.111 6.895 5.446 1.00 0.00 H new ATOM 0 HB2 PHE A 191 1.821 3.945 5.511 1.00 0.00 H new ATOM 0 HB3 PHE A 191 0.903 4.661 6.821 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -1.151 6.156 6.109 1.00 0.00 H new ATOM 0 HD2 PHE A 191 0.679 3.235 3.554 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -3.220 6.060 4.746 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -1.395 3.127 2.188 1.00 0.00 H new ATOM 0 HZ PHE A 191 -3.347 4.543 2.785 1.00 0.00 H new ATOM 281 N GLU A 192 4.065 6.227 6.558 1.00 0.00 N ATOM 282 CA GLU A 192 5.001 6.567 7.664 1.00 0.00 C ATOM 283 C GLU A 192 5.049 8.086 7.810 1.00 0.00 C ATOM 284 O GLU A 192 5.302 8.613 8.875 1.00 0.00 O ATOM 285 CB GLU A 192 6.409 6.039 7.353 1.00 0.00 C ATOM 286 CG GLU A 192 7.361 6.378 8.507 1.00 0.00 C ATOM 287 CD GLU A 192 7.808 7.841 8.418 1.00 0.00 C ATOM 288 OE1 GLU A 192 7.832 8.372 7.322 1.00 0.00 O ATOM 289 OE2 GLU A 192 8.116 8.406 9.454 1.00 0.00 O ATOM 0 H GLU A 192 4.499 5.828 5.725 1.00 0.00 H new ATOM 0 HA GLU A 192 4.653 6.107 8.589 1.00 0.00 H new ATOM 0 HB2 GLU A 192 6.377 4.960 7.202 1.00 0.00 H new ATOM 0 HB3 GLU A 192 6.776 6.480 6.426 1.00 0.00 H new ATOM 0 HG2 GLU A 192 6.864 6.200 9.461 1.00 0.00 H new ATOM 0 HG3 GLU A 192 8.231 5.722 8.474 1.00 0.00 H new ATOM 296 N LYS A 193 4.830 8.793 6.737 1.00 0.00 N ATOM 297 CA LYS A 193 4.885 10.281 6.793 1.00 0.00 C ATOM 298 C LYS A 193 3.532 10.849 7.230 1.00 0.00 C ATOM 299 O LYS A 193 3.467 11.861 7.896 1.00 0.00 O ATOM 300 CB LYS A 193 5.237 10.820 5.410 1.00 0.00 C ATOM 301 CG LYS A 193 6.693 10.470 5.078 1.00 0.00 C ATOM 302 CD LYS A 193 7.036 10.970 3.672 1.00 0.00 C ATOM 303 CE LYS A 193 8.330 10.306 3.188 1.00 0.00 C ATOM 304 NZ LYS A 193 8.083 8.863 2.878 1.00 0.00 N ATOM 0 H LYS A 193 4.614 8.403 5.820 1.00 0.00 H new ATOM 0 HA LYS A 193 5.643 10.582 7.516 1.00 0.00 H new ATOM 0 HB2 LYS A 193 4.570 10.393 4.661 1.00 0.00 H new ATOM 0 HB3 LYS A 193 5.097 11.901 5.383 1.00 0.00 H new ATOM 0 HG2 LYS A 193 7.362 10.924 5.809 1.00 0.00 H new ATOM 0 HG3 LYS A 193 6.841 9.392 5.137 1.00 0.00 H new ATOM 0 HD2 LYS A 193 6.220 10.742 2.986 1.00 0.00 H new ATOM 0 HD3 LYS A 193 7.153 12.054 3.680 1.00 0.00 H new ATOM 0 HE2 LYS A 193 8.701 10.818 2.300 1.00 0.00 H new ATOM 0 HE3 LYS A 193 9.102 10.395 3.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 193 8.771 8.275 3.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 193 7.119 8.605 3.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 193 8.187 8.705 1.855 1.00 0.00 H new ATOM 318 N HIS A 194 2.451 10.210 6.868 1.00 0.00 N ATOM 319 CA HIS A 194 1.109 10.729 7.279 1.00 0.00 C ATOM 320 C HIS A 194 0.124 9.566 7.436 1.00 0.00 C ATOM 321 O HIS A 194 0.260 8.534 6.822 1.00 0.00 O ATOM 322 CB HIS A 194 0.587 11.717 6.225 1.00 0.00 C ATOM 323 CG HIS A 194 1.322 13.027 6.360 1.00 0.00 C ATOM 324 ND1 HIS A 194 2.119 13.557 5.353 1.00 0.00 N ATOM 325 CD2 HIS A 194 1.398 13.910 7.400 1.00 0.00 C ATOM 326 CE1 HIS A 194 2.637 14.713 5.815 1.00 0.00 C ATOM 327 NE2 HIS A 194 2.228 14.975 7.060 1.00 0.00 N ATOM 0 H HIS A 194 2.436 9.357 6.309 1.00 0.00 H new ATOM 0 HA HIS A 194 1.205 11.244 8.235 1.00 0.00 H new ATOM 0 HB2 HIS A 194 0.730 11.308 5.225 1.00 0.00 H new ATOM 0 HB3 HIS A 194 -0.484 11.873 6.355 1.00 0.00 H new ATOM 0 HD2 HIS A 194 0.889 13.798 8.346 1.00 0.00 H new ATOM 0 HE1 HIS A 194 3.301 15.349 5.248 1.00 0.00 H new ATOM 0 HE2 HIS A 194 2.471 15.781 7.636 1.00 0.00 H new ATOM 335 N GLN A 195 -0.851 9.718 8.282 1.00 0.00 N ATOM 336 CA GLN A 195 -1.833 8.616 8.503 1.00 0.00 C ATOM 337 C GLN A 195 -2.765 8.423 7.290 1.00 0.00 C ATOM 338 O GLN A 195 -3.261 7.337 7.058 1.00 0.00 O ATOM 339 CB GLN A 195 -2.671 8.933 9.745 1.00 0.00 C ATOM 340 CG GLN A 195 -3.586 7.753 10.085 1.00 0.00 C ATOM 341 CD GLN A 195 -2.730 6.542 10.459 1.00 0.00 C ATOM 342 OE1 GLN A 195 -2.079 6.539 11.482 1.00 0.00 O ATOM 343 NE2 GLN A 195 -2.695 5.509 9.661 1.00 0.00 N ATOM 0 H GLN A 195 -1.014 10.560 8.834 1.00 0.00 H new ATOM 0 HA GLN A 195 -1.275 7.690 8.643 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -2.016 9.148 10.589 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -3.269 9.827 9.570 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -4.246 8.016 10.912 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -4.222 7.514 9.233 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -3.242 5.511 8.800 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -2.120 4.700 9.898 1.00 0.00 H new ATOM 352 N TYR A 196 -3.055 9.470 6.554 1.00 0.00 N ATOM 353 CA TYR A 196 -4.019 9.349 5.405 1.00 0.00 C ATOM 354 C TYR A 196 -3.382 9.707 4.059 1.00 0.00 C ATOM 355 O TYR A 196 -2.533 10.572 3.955 1.00 0.00 O ATOM 356 CB TYR A 196 -5.165 10.318 5.660 1.00 0.00 C ATOM 357 CG TYR A 196 -5.904 9.897 6.912 1.00 0.00 C ATOM 358 CD1 TYR A 196 -6.947 8.957 6.844 1.00 0.00 C ATOM 359 CD2 TYR A 196 -5.540 10.449 8.144 1.00 0.00 C ATOM 360 CE1 TYR A 196 -7.624 8.578 8.011 1.00 0.00 C ATOM 361 CE2 TYR A 196 -6.218 10.068 9.311 1.00 0.00 C ATOM 362 CZ TYR A 196 -7.259 9.131 9.244 1.00 0.00 C ATOM 363 OH TYR A 196 -7.929 8.754 10.394 1.00 0.00 O ATOM 0 H TYR A 196 -2.668 10.403 6.696 1.00 0.00 H new ATOM 0 HA TYR A 196 -4.350 8.312 5.348 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -4.781 11.332 5.774 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -5.845 10.328 4.808 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -7.226 8.527 5.893 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -4.737 11.169 8.197 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -8.428 7.859 7.959 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -5.938 10.497 10.262 1.00 0.00 H new ATOM 0 HH TYR A 196 -7.552 9.230 11.163 1.00 0.00 H new ATOM 373 N TYR A 197 -3.836 9.047 3.021 1.00 0.00 N ATOM 374 CA TYR A 197 -3.328 9.321 1.641 1.00 0.00 C ATOM 375 C TYR A 197 -4.452 9.101 0.626 1.00 0.00 C ATOM 376 O TYR A 197 -5.114 8.085 0.631 1.00 0.00 O ATOM 377 CB TYR A 197 -2.159 8.381 1.317 1.00 0.00 C ATOM 378 CG TYR A 197 -0.878 8.941 1.869 1.00 0.00 C ATOM 379 CD1 TYR A 197 -0.512 8.708 3.194 1.00 0.00 C ATOM 380 CD2 TYR A 197 -0.056 9.700 1.034 1.00 0.00 C ATOM 381 CE1 TYR A 197 0.683 9.237 3.682 1.00 0.00 C ATOM 382 CE2 TYR A 197 1.135 10.227 1.521 1.00 0.00 C ATOM 383 CZ TYR A 197 1.507 9.995 2.846 1.00 0.00 C ATOM 384 OH TYR A 197 2.682 10.518 3.329 1.00 0.00 O ATOM 0 H TYR A 197 -4.548 8.319 3.073 1.00 0.00 H new ATOM 0 HA TYR A 197 -2.985 10.354 1.588 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.347 7.395 1.742 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -2.074 8.253 0.238 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -1.150 8.121 3.839 1.00 0.00 H new ATOM 0 HD2 TYR A 197 -0.345 9.878 0.009 1.00 0.00 H new ATOM 0 HE1 TYR A 197 0.972 9.060 4.708 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.771 10.815 0.875 1.00 0.00 H new ATOM 0 HH TYR A 197 3.292 9.788 3.566 1.00 0.00 H new ATOM 394 N ASN A 198 -4.657 10.040 -0.259 1.00 0.00 N ATOM 395 CA ASN A 198 -5.724 9.873 -1.287 1.00 0.00 C ATOM 396 C ASN A 198 -5.138 9.179 -2.523 1.00 0.00 C ATOM 397 O ASN A 198 -3.942 9.017 -2.648 1.00 0.00 O ATOM 398 CB ASN A 198 -6.312 11.241 -1.654 1.00 0.00 C ATOM 399 CG ASN A 198 -5.338 12.049 -2.507 1.00 0.00 C ATOM 400 OD1 ASN A 198 -4.147 11.808 -2.502 1.00 0.00 O ATOM 401 ND2 ASN A 198 -5.812 13.021 -3.239 1.00 0.00 N ATOM 0 H ASN A 198 -4.133 10.913 -0.314 1.00 0.00 H new ATOM 0 HA ASN A 198 -6.527 9.253 -0.887 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -7.247 11.104 -2.196 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -6.549 11.794 -0.745 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -5.181 13.583 -3.811 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -6.813 13.218 -3.239 1.00 0.00 H new ATOM 408 N LEU A 199 -5.978 8.755 -3.428 1.00 0.00 N ATOM 409 CA LEU A 199 -5.479 8.058 -4.650 1.00 0.00 C ATOM 410 C LEU A 199 -4.512 8.973 -5.423 1.00 0.00 C ATOM 411 O LEU A 199 -3.517 8.525 -5.953 1.00 0.00 O ATOM 412 CB LEU A 199 -6.671 7.710 -5.558 1.00 0.00 C ATOM 413 CG LEU A 199 -7.613 6.708 -4.859 1.00 0.00 C ATOM 414 CD1 LEU A 199 -8.831 6.445 -5.756 1.00 0.00 C ATOM 415 CD2 LEU A 199 -6.881 5.378 -4.587 1.00 0.00 C ATOM 0 H LEU A 199 -6.991 8.861 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 199 -4.956 7.149 -4.352 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.220 8.617 -5.811 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -6.310 7.285 -6.494 1.00 0.00 H new ATOM 0 HG LEU A 199 -7.935 7.132 -3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -9.499 5.737 -5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -9.361 7.381 -5.933 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -8.499 6.030 -6.708 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -7.560 4.683 -4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -6.545 4.948 -5.531 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -6.020 5.561 -3.944 1.00 0.00 H new ATOM 427 N LYS A 200 -4.810 10.244 -5.524 1.00 0.00 N ATOM 428 CA LYS A 200 -3.913 11.165 -6.292 1.00 0.00 C ATOM 429 C LYS A 200 -2.505 11.182 -5.688 1.00 0.00 C ATOM 430 O LYS A 200 -1.514 11.203 -6.388 1.00 0.00 O ATOM 431 CB LYS A 200 -4.493 12.586 -6.284 1.00 0.00 C ATOM 432 CG LYS A 200 -3.745 13.484 -7.295 1.00 0.00 C ATOM 433 CD LYS A 200 -4.342 13.306 -8.704 1.00 0.00 C ATOM 434 CE LYS A 200 -3.603 14.198 -9.710 1.00 0.00 C ATOM 435 NZ LYS A 200 -4.196 14.010 -11.068 1.00 0.00 N ATOM 0 H LYS A 200 -5.632 10.684 -5.110 1.00 0.00 H new ATOM 0 HA LYS A 200 -3.848 10.803 -7.318 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -5.554 12.553 -6.534 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -4.414 13.011 -5.284 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -3.818 14.528 -6.990 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -2.685 13.229 -7.306 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -4.267 12.262 -9.009 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -5.402 13.560 -8.692 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -3.678 15.243 -9.410 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -2.543 13.946 -9.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -3.696 14.614 -11.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -4.103 13.014 -11.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -5.203 14.271 -11.046 1.00 0.00 H new ATOM 449 N ASP A 201 -2.400 11.205 -4.398 1.00 0.00 N ATOM 450 CA ASP A 201 -1.050 11.245 -3.775 1.00 0.00 C ATOM 451 C ASP A 201 -0.344 9.907 -3.998 1.00 0.00 C ATOM 452 O ASP A 201 0.845 9.849 -4.231 1.00 0.00 O ATOM 453 CB ASP A 201 -1.193 11.487 -2.273 1.00 0.00 C ATOM 454 CG ASP A 201 -1.709 12.906 -2.019 1.00 0.00 C ATOM 455 OD1 ASP A 201 -1.573 13.734 -2.902 1.00 0.00 O ATOM 456 OD2 ASP A 201 -2.237 13.139 -0.946 1.00 0.00 O ATOM 0 H ASP A 201 -3.184 11.198 -3.746 1.00 0.00 H new ATOM 0 HA ASP A 201 -0.467 12.048 -4.227 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -1.880 10.759 -1.843 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -0.231 11.347 -1.780 1.00 0.00 H new ATOM 461 N LEU A 202 -1.068 8.832 -3.907 1.00 0.00 N ATOM 462 CA LEU A 202 -0.444 7.494 -4.086 1.00 0.00 C ATOM 463 C LEU A 202 0.161 7.347 -5.489 1.00 0.00 C ATOM 464 O LEU A 202 1.229 6.786 -5.649 1.00 0.00 O ATOM 465 CB LEU A 202 -1.516 6.416 -3.865 1.00 0.00 C ATOM 466 CG LEU A 202 -1.906 6.348 -2.375 1.00 0.00 C ATOM 467 CD1 LEU A 202 -3.253 5.622 -2.221 1.00 0.00 C ATOM 468 CD2 LEU A 202 -0.832 5.585 -1.580 1.00 0.00 C ATOM 0 H LEU A 202 -2.070 8.821 -3.716 1.00 0.00 H new ATOM 0 HA LEU A 202 0.362 7.380 -3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 202 -2.396 6.639 -4.469 1.00 0.00 H new ATOM 0 HB3 LEU A 202 -1.141 5.447 -4.194 1.00 0.00 H new ATOM 0 HG LEU A 202 -1.989 7.364 -1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 202 -3.524 5.577 -1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 202 -4.023 6.164 -2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 202 -3.168 4.610 -2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 202 -1.118 5.543 -0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 202 -0.741 4.572 -1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.125 6.099 -1.675 1.00 0.00 H new ATOM 480 N VAL A 203 -0.498 7.830 -6.508 1.00 0.00 N ATOM 481 CA VAL A 203 0.071 7.684 -7.878 1.00 0.00 C ATOM 482 C VAL A 203 1.379 8.461 -7.989 1.00 0.00 C ATOM 483 O VAL A 203 2.334 7.993 -8.580 1.00 0.00 O ATOM 484 CB VAL A 203 -0.929 8.157 -8.931 1.00 0.00 C ATOM 485 CG1 VAL A 203 -2.069 7.144 -9.035 1.00 0.00 C ATOM 486 CG2 VAL A 203 -1.505 9.503 -8.521 1.00 0.00 C ATOM 0 H VAL A 203 -1.394 8.313 -6.453 1.00 0.00 H new ATOM 0 HA VAL A 203 0.277 6.629 -8.058 1.00 0.00 H new ATOM 0 HB VAL A 203 -0.422 8.251 -9.892 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -2.785 7.478 -9.786 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -1.667 6.173 -9.323 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -2.569 7.058 -8.070 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -2.218 9.838 -9.274 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -2.011 9.405 -7.560 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -0.700 10.232 -8.434 1.00 0.00 H new ATOM 496 N ASP A 204 1.460 9.629 -7.414 1.00 0.00 N ATOM 497 CA ASP A 204 2.743 10.379 -7.497 1.00 0.00 C ATOM 498 C ASP A 204 3.834 9.479 -6.914 1.00 0.00 C ATOM 499 O ASP A 204 4.924 9.379 -7.441 1.00 0.00 O ATOM 500 CB ASP A 204 2.657 11.681 -6.686 1.00 0.00 C ATOM 501 CG ASP A 204 3.890 12.545 -6.973 1.00 0.00 C ATOM 502 OD1 ASP A 204 4.825 12.031 -7.569 1.00 0.00 O ATOM 503 OD2 ASP A 204 3.880 13.705 -6.590 1.00 0.00 O ATOM 0 H ASP A 204 0.709 10.089 -6.900 1.00 0.00 H new ATOM 0 HA ASP A 204 2.963 10.642 -8.532 1.00 0.00 H new ATOM 0 HB2 ASP A 204 1.750 12.225 -6.947 1.00 0.00 H new ATOM 0 HB3 ASP A 204 2.598 11.455 -5.621 1.00 0.00 H new ATOM 508 N ILE A 205 3.529 8.800 -5.836 1.00 0.00 N ATOM 509 CA ILE A 205 4.521 7.875 -5.215 1.00 0.00 C ATOM 510 C ILE A 205 4.727 6.660 -6.133 1.00 0.00 C ATOM 511 O ILE A 205 5.779 6.056 -6.152 1.00 0.00 O ATOM 512 CB ILE A 205 4.001 7.403 -3.852 1.00 0.00 C ATOM 513 CG1 ILE A 205 3.670 8.623 -2.987 1.00 0.00 C ATOM 514 CG2 ILE A 205 5.088 6.587 -3.152 1.00 0.00 C ATOM 515 CD1 ILE A 205 3.051 8.181 -1.654 1.00 0.00 C ATOM 0 H ILE A 205 2.629 8.849 -5.358 1.00 0.00 H new ATOM 0 HA ILE A 205 5.469 8.396 -5.079 1.00 0.00 H new ATOM 0 HB ILE A 205 3.109 6.793 -3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 205 4.575 9.201 -2.801 1.00 0.00 H new ATOM 0 HG13 ILE A 205 2.978 9.276 -3.518 1.00 0.00 H new ATOM 0 HG21 ILE A 205 4.722 6.250 -2.182 1.00 0.00 H new ATOM 0 HG22 ILE A 205 5.345 5.722 -3.764 1.00 0.00 H new ATOM 0 HG23 ILE A 205 5.973 7.207 -3.010 1.00 0.00 H new ATOM 0 HD11 ILE A 205 2.821 9.059 -1.051 1.00 0.00 H new ATOM 0 HD12 ILE A 205 2.135 7.623 -1.846 1.00 0.00 H new ATOM 0 HD13 ILE A 205 3.757 7.547 -1.118 1.00 0.00 H new ATOM 527 N THR A 206 3.716 6.288 -6.880 1.00 0.00 N ATOM 528 CA THR A 206 3.835 5.102 -7.784 1.00 0.00 C ATOM 529 C THR A 206 3.078 5.366 -9.087 1.00 0.00 C ATOM 530 O THR A 206 1.876 5.496 -9.110 1.00 0.00 O ATOM 531 CB THR A 206 3.223 3.899 -7.070 1.00 0.00 C ATOM 532 OG1 THR A 206 1.872 4.191 -6.741 1.00 0.00 O ATOM 533 CG2 THR A 206 4.015 3.627 -5.795 1.00 0.00 C ATOM 0 H THR A 206 2.810 6.757 -6.902 1.00 0.00 H new ATOM 0 HA THR A 206 4.882 4.911 -8.020 1.00 0.00 H new ATOM 0 HB THR A 206 3.256 3.022 -7.716 1.00 0.00 H new ATOM 0 HG1 THR A 206 1.509 4.831 -7.388 1.00 0.00 H new ATOM 0 HG21 THR A 206 3.587 2.769 -5.277 1.00 0.00 H new ATOM 0 HG22 THR A 206 5.053 3.415 -6.050 1.00 0.00 H new ATOM 0 HG23 THR A 206 3.972 4.502 -5.146 1.00 0.00 H new ATOM 541 N LYS A 207 3.777 5.444 -10.182 1.00 0.00 N ATOM 542 CA LYS A 207 3.101 5.706 -11.486 1.00 0.00 C ATOM 543 C LYS A 207 2.460 4.417 -12.014 1.00 0.00 C ATOM 544 O LYS A 207 2.222 4.274 -13.198 1.00 0.00 O ATOM 545 CB LYS A 207 4.124 6.221 -12.507 1.00 0.00 C ATOM 546 CG LYS A 207 4.691 7.557 -12.022 1.00 0.00 C ATOM 547 CD LYS A 207 5.528 8.220 -13.125 1.00 0.00 C ATOM 548 CE LYS A 207 6.714 7.324 -13.505 1.00 0.00 C ATOM 549 NZ LYS A 207 7.717 8.119 -14.271 1.00 0.00 N ATOM 0 H LYS A 207 4.790 5.338 -10.233 1.00 0.00 H new ATOM 0 HA LYS A 207 2.326 6.458 -11.336 1.00 0.00 H new ATOM 0 HB2 LYS A 207 4.928 5.495 -12.632 1.00 0.00 H new ATOM 0 HB3 LYS A 207 3.652 6.345 -13.482 1.00 0.00 H new ATOM 0 HG2 LYS A 207 3.876 8.219 -11.728 1.00 0.00 H new ATOM 0 HG3 LYS A 207 5.307 7.397 -11.137 1.00 0.00 H new ATOM 0 HD2 LYS A 207 4.907 8.404 -14.002 1.00 0.00 H new ATOM 0 HD3 LYS A 207 5.891 9.189 -12.783 1.00 0.00 H new ATOM 0 HE2 LYS A 207 7.172 6.910 -12.607 1.00 0.00 H new ATOM 0 HE3 LYS A 207 6.369 6.481 -14.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 8.520 7.510 -14.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 7.276 8.493 -15.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 8.055 8.909 -13.685 1.00 0.00 H new ATOM 563 N GLN A 208 2.185 3.474 -11.150 1.00 0.00 N ATOM 564 CA GLN A 208 1.567 2.194 -11.610 1.00 0.00 C ATOM 565 C GLN A 208 0.044 2.396 -11.750 1.00 0.00 C ATOM 566 O GLN A 208 -0.521 3.238 -11.082 1.00 0.00 O ATOM 567 CB GLN A 208 1.857 1.117 -10.552 1.00 0.00 C ATOM 568 CG GLN A 208 3.377 0.935 -10.402 1.00 0.00 C ATOM 569 CD GLN A 208 3.689 0.232 -9.073 1.00 0.00 C ATOM 570 OE1 GLN A 208 3.387 -0.933 -8.901 1.00 0.00 O ATOM 571 NE2 GLN A 208 4.288 0.902 -8.120 1.00 0.00 N ATOM 0 H GLN A 208 2.361 3.535 -10.147 1.00 0.00 H new ATOM 0 HA GLN A 208 1.976 1.889 -12.573 1.00 0.00 H new ATOM 0 HB2 GLN A 208 1.419 1.405 -9.596 1.00 0.00 H new ATOM 0 HB3 GLN A 208 1.395 0.174 -10.843 1.00 0.00 H new ATOM 0 HG2 GLN A 208 3.766 0.348 -11.234 1.00 0.00 H new ATOM 0 HG3 GLN A 208 3.874 1.905 -10.436 1.00 0.00 H new ATOM 0 HE21 GLN A 208 4.541 1.879 -8.265 1.00 0.00 H new ATOM 0 HE22 GLN A 208 4.501 0.446 -7.233 1.00 0.00 H new ATOM 580 N PRO A 209 -0.632 1.639 -12.596 1.00 0.00 N ATOM 581 CA PRO A 209 -2.111 1.779 -12.771 1.00 0.00 C ATOM 582 C PRO A 209 -2.846 1.843 -11.427 1.00 0.00 C ATOM 583 O PRO A 209 -2.646 1.020 -10.557 1.00 0.00 O ATOM 584 CB PRO A 209 -2.516 0.518 -13.547 1.00 0.00 C ATOM 585 CG PRO A 209 -1.290 0.118 -14.306 1.00 0.00 C ATOM 586 CD PRO A 209 -0.082 0.589 -13.476 1.00 0.00 C ATOM 0 HA PRO A 209 -2.371 2.703 -13.287 1.00 0.00 H new ATOM 0 HB2 PRO A 209 -2.838 -0.275 -12.871 1.00 0.00 H new ATOM 0 HB3 PRO A 209 -3.349 0.720 -14.221 1.00 0.00 H new ATOM 0 HG2 PRO A 209 -1.261 -0.962 -14.453 1.00 0.00 H new ATOM 0 HG3 PRO A 209 -1.281 0.575 -15.296 1.00 0.00 H new ATOM 0 HD2 PRO A 209 0.347 -0.230 -12.898 1.00 0.00 H new ATOM 0 HD3 PRO A 209 0.711 0.979 -14.114 1.00 0.00 H new ATOM 594 N VAL A 210 -3.701 2.808 -11.253 1.00 0.00 N ATOM 595 CA VAL A 210 -4.447 2.912 -9.973 1.00 0.00 C ATOM 596 C VAL A 210 -5.235 1.633 -9.747 1.00 0.00 C ATOM 597 O VAL A 210 -5.333 1.130 -8.646 1.00 0.00 O ATOM 598 CB VAL A 210 -5.410 4.087 -10.039 1.00 0.00 C ATOM 599 CG1 VAL A 210 -4.623 5.386 -10.230 1.00 0.00 C ATOM 600 CG2 VAL A 210 -6.384 3.892 -11.205 1.00 0.00 C ATOM 0 H VAL A 210 -3.915 3.529 -11.942 1.00 0.00 H new ATOM 0 HA VAL A 210 -3.744 3.063 -9.154 1.00 0.00 H new ATOM 0 HB VAL A 210 -5.975 4.144 -9.109 1.00 0.00 H new ATOM 0 HG11 VAL A 210 -5.315 6.227 -10.277 1.00 0.00 H new ATOM 0 HG12 VAL A 210 -3.940 5.524 -9.392 1.00 0.00 H new ATOM 0 HG13 VAL A 210 -4.053 5.333 -11.157 1.00 0.00 H new ATOM 0 HG21 VAL A 210 -7.072 4.736 -11.249 1.00 0.00 H new ATOM 0 HG22 VAL A 210 -5.826 3.830 -12.139 1.00 0.00 H new ATOM 0 HG23 VAL A 210 -6.948 2.971 -11.058 1.00 0.00 H new ATOM 610 N VAL A 211 -5.808 1.113 -10.790 1.00 0.00 N ATOM 611 CA VAL A 211 -6.604 -0.128 -10.663 1.00 0.00 C ATOM 612 C VAL A 211 -5.741 -1.184 -9.987 1.00 0.00 C ATOM 613 O VAL A 211 -6.215 -2.002 -9.229 1.00 0.00 O ATOM 614 CB VAL A 211 -7.007 -0.600 -12.058 1.00 0.00 C ATOM 615 CG1 VAL A 211 -7.988 -1.765 -11.941 1.00 0.00 C ATOM 616 CG2 VAL A 211 -7.659 0.558 -12.824 1.00 0.00 C ATOM 0 H VAL A 211 -5.757 1.499 -11.733 1.00 0.00 H new ATOM 0 HA VAL A 211 -7.502 0.047 -10.070 1.00 0.00 H new ATOM 0 HB VAL A 211 -6.121 -0.932 -12.599 1.00 0.00 H new ATOM 0 HG11 VAL A 211 -8.275 -2.101 -12.938 1.00 0.00 H new ATOM 0 HG12 VAL A 211 -7.515 -2.587 -11.403 1.00 0.00 H new ATOM 0 HG13 VAL A 211 -8.876 -1.440 -11.398 1.00 0.00 H new ATOM 0 HG21 VAL A 211 -7.946 0.220 -13.820 1.00 0.00 H new ATOM 0 HG22 VAL A 211 -8.545 0.897 -12.286 1.00 0.00 H new ATOM 0 HG23 VAL A 211 -6.950 1.381 -12.911 1.00 0.00 H new ATOM 626 N TYR A 212 -4.472 -1.165 -10.246 1.00 0.00 N ATOM 627 CA TYR A 212 -3.579 -2.158 -9.600 1.00 0.00 C ATOM 628 C TYR A 212 -3.388 -1.769 -8.135 1.00 0.00 C ATOM 629 O TYR A 212 -3.441 -2.596 -7.246 1.00 0.00 O ATOM 630 CB TYR A 212 -2.231 -2.167 -10.313 1.00 0.00 C ATOM 631 CG TYR A 212 -1.351 -3.239 -9.715 1.00 0.00 C ATOM 632 CD1 TYR A 212 -1.507 -4.570 -10.119 1.00 0.00 C ATOM 633 CD2 TYR A 212 -0.380 -2.907 -8.759 1.00 0.00 C ATOM 634 CE1 TYR A 212 -0.692 -5.569 -9.574 1.00 0.00 C ATOM 635 CE2 TYR A 212 0.435 -3.907 -8.215 1.00 0.00 C ATOM 636 CZ TYR A 212 0.276 -5.238 -8.621 1.00 0.00 C ATOM 637 OH TYR A 212 1.083 -6.220 -8.087 1.00 0.00 O ATOM 0 H TYR A 212 -4.012 -0.507 -10.876 1.00 0.00 H new ATOM 0 HA TYR A 212 -4.020 -3.153 -9.661 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -2.372 -2.350 -11.378 1.00 0.00 H new ATOM 0 HB3 TYR A 212 -1.751 -1.193 -10.218 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -2.257 -4.827 -10.852 1.00 0.00 H new ATOM 0 HD2 TYR A 212 -0.261 -1.881 -8.443 1.00 0.00 H new ATOM 0 HE1 TYR A 212 -0.811 -6.595 -9.889 1.00 0.00 H new ATOM 0 HE2 TYR A 212 1.186 -3.652 -7.482 1.00 0.00 H new ATOM 0 HH TYR A 212 1.691 -6.556 -8.778 1.00 0.00 H new ATOM 647 N LEU A 213 -3.172 -0.508 -7.879 1.00 0.00 N ATOM 648 CA LEU A 213 -2.992 -0.049 -6.477 1.00 0.00 C ATOM 649 C LEU A 213 -4.316 -0.209 -5.725 1.00 0.00 C ATOM 650 O LEU A 213 -4.350 -0.639 -4.589 1.00 0.00 O ATOM 651 CB LEU A 213 -2.569 1.425 -6.471 1.00 0.00 C ATOM 652 CG LEU A 213 -1.198 1.581 -7.143 1.00 0.00 C ATOM 653 CD1 LEU A 213 -0.843 3.067 -7.220 1.00 0.00 C ATOM 654 CD2 LEU A 213 -0.119 0.823 -6.346 1.00 0.00 C ATOM 0 H LEU A 213 -3.113 0.226 -8.585 1.00 0.00 H new ATOM 0 HA LEU A 213 -2.220 -0.645 -5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 213 -3.311 2.027 -6.996 1.00 0.00 H new ATOM 0 HB3 LEU A 213 -2.525 1.795 -5.447 1.00 0.00 H new ATOM 0 HG LEU A 213 -1.241 1.161 -8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 213 0.130 3.184 -7.697 1.00 0.00 H new ATOM 0 HD12 LEU A 213 -1.599 3.592 -7.804 1.00 0.00 H new ATOM 0 HD13 LEU A 213 -0.807 3.485 -6.214 1.00 0.00 H new ATOM 0 HD21 LEU A 213 0.847 0.944 -6.836 1.00 0.00 H new ATOM 0 HD22 LEU A 213 -0.065 1.224 -5.334 1.00 0.00 H new ATOM 0 HD23 LEU A 213 -0.375 -0.236 -6.304 1.00 0.00 H new ATOM 666 N LYS A 214 -5.405 0.148 -6.351 1.00 0.00 N ATOM 667 CA LYS A 214 -6.724 0.022 -5.663 1.00 0.00 C ATOM 668 C LYS A 214 -6.981 -1.433 -5.279 1.00 0.00 C ATOM 669 O LYS A 214 -7.490 -1.722 -4.216 1.00 0.00 O ATOM 670 CB LYS A 214 -7.856 0.513 -6.569 1.00 0.00 C ATOM 671 CG LYS A 214 -7.786 2.039 -6.713 1.00 0.00 C ATOM 672 CD LYS A 214 -9.090 2.575 -7.324 1.00 0.00 C ATOM 673 CE LYS A 214 -10.272 2.387 -6.352 1.00 0.00 C ATOM 674 NZ LYS A 214 -11.312 3.418 -6.632 1.00 0.00 N ATOM 0 H LYS A 214 -5.440 0.518 -7.301 1.00 0.00 H new ATOM 0 HA LYS A 214 -6.697 0.637 -4.764 1.00 0.00 H new ATOM 0 HB2 LYS A 214 -7.779 0.043 -7.549 1.00 0.00 H new ATOM 0 HB3 LYS A 214 -8.820 0.222 -6.151 1.00 0.00 H new ATOM 0 HG2 LYS A 214 -7.618 2.496 -5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 214 -6.941 2.314 -7.344 1.00 0.00 H new ATOM 0 HD2 LYS A 214 -8.976 3.632 -7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 214 -9.298 2.056 -8.260 1.00 0.00 H new ATOM 0 HE2 LYS A 214 -10.694 1.389 -6.465 1.00 0.00 H new ATOM 0 HE3 LYS A 214 -9.927 2.473 -5.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 214 -12.110 3.293 -5.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 214 -10.904 4.366 -6.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 214 -11.648 3.315 -7.611 1.00 0.00 H new ATOM 688 N GLU A 215 -6.636 -2.358 -6.130 1.00 0.00 N ATOM 689 CA GLU A 215 -6.875 -3.788 -5.793 1.00 0.00 C ATOM 690 C GLU A 215 -6.111 -4.136 -4.523 1.00 0.00 C ATOM 691 O GLU A 215 -6.620 -4.809 -3.647 1.00 0.00 O ATOM 692 CB GLU A 215 -6.394 -4.664 -6.952 1.00 0.00 C ATOM 693 CG GLU A 215 -7.365 -4.518 -8.129 1.00 0.00 C ATOM 694 CD GLU A 215 -8.610 -5.378 -7.881 1.00 0.00 C ATOM 695 OE1 GLU A 215 -8.610 -6.129 -6.917 1.00 0.00 O ATOM 696 OE2 GLU A 215 -9.544 -5.266 -8.659 1.00 0.00 O ATOM 0 H GLU A 215 -6.202 -2.188 -7.037 1.00 0.00 H new ATOM 0 HA GLU A 215 -7.939 -3.962 -5.630 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -5.389 -4.368 -7.255 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -6.339 -5.706 -6.638 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -7.651 -3.473 -8.250 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -6.878 -4.824 -9.055 1.00 0.00 H new ATOM 703 N ILE A 216 -4.901 -3.667 -4.398 1.00 0.00 N ATOM 704 CA ILE A 216 -4.129 -3.957 -3.161 1.00 0.00 C ATOM 705 C ILE A 216 -4.770 -3.211 -1.992 1.00 0.00 C ATOM 706 O ILE A 216 -4.958 -3.753 -0.924 1.00 0.00 O ATOM 707 CB ILE A 216 -2.683 -3.479 -3.338 1.00 0.00 C ATOM 708 CG1 ILE A 216 -2.004 -4.308 -4.430 1.00 0.00 C ATOM 709 CG2 ILE A 216 -1.923 -3.641 -2.019 1.00 0.00 C ATOM 710 CD1 ILE A 216 -0.671 -3.661 -4.817 1.00 0.00 C ATOM 0 H ILE A 216 -4.417 -3.100 -5.094 1.00 0.00 H new ATOM 0 HA ILE A 216 -4.134 -5.029 -2.965 1.00 0.00 H new ATOM 0 HB ILE A 216 -2.680 -2.428 -3.626 1.00 0.00 H new ATOM 0 HG12 ILE A 216 -1.836 -5.325 -4.076 1.00 0.00 H new ATOM 0 HG13 ILE A 216 -2.653 -4.377 -5.303 1.00 0.00 H new ATOM 0 HG21 ILE A 216 -0.895 -3.301 -2.147 1.00 0.00 H new ATOM 0 HG22 ILE A 216 -2.408 -3.047 -1.244 1.00 0.00 H new ATOM 0 HG23 ILE A 216 -1.924 -4.691 -1.725 1.00 0.00 H new ATOM 0 HD11 ILE A 216 -0.191 -4.255 -5.595 1.00 0.00 H new ATOM 0 HD12 ILE A 216 -0.851 -2.652 -5.189 1.00 0.00 H new ATOM 0 HD13 ILE A 216 -0.022 -3.615 -3.943 1.00 0.00 H new ATOM 722 N LEU A 217 -5.120 -1.970 -2.202 1.00 0.00 N ATOM 723 CA LEU A 217 -5.763 -1.168 -1.122 1.00 0.00 C ATOM 724 C LEU A 217 -7.169 -1.718 -0.841 1.00 0.00 C ATOM 725 O LEU A 217 -7.657 -1.685 0.266 1.00 0.00 O ATOM 726 CB LEU A 217 -5.865 0.284 -1.584 1.00 0.00 C ATOM 727 CG LEU A 217 -4.452 0.853 -1.807 1.00 0.00 C ATOM 728 CD1 LEU A 217 -4.546 2.194 -2.537 1.00 0.00 C ATOM 729 CD2 LEU A 217 -3.733 1.069 -0.462 1.00 0.00 C ATOM 0 H LEU A 217 -4.987 -1.474 -3.083 1.00 0.00 H new ATOM 0 HA LEU A 217 -5.168 -1.227 -0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.442 0.343 -2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -6.394 0.878 -0.838 1.00 0.00 H new ATOM 0 HG LEU A 217 -3.886 0.138 -2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -3.544 2.594 -2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -5.034 2.050 -3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -5.127 2.895 -1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -2.736 1.472 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -4.303 1.771 0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -3.650 0.117 0.063 1.00 0.00 H new ATOM 741 N LYS A 218 -7.829 -2.222 -1.840 1.00 0.00 N ATOM 742 CA LYS A 218 -9.196 -2.778 -1.622 1.00 0.00 C ATOM 743 C LYS A 218 -9.113 -3.944 -0.638 1.00 0.00 C ATOM 744 O LYS A 218 -9.987 -4.145 0.186 1.00 0.00 O ATOM 745 CB LYS A 218 -9.763 -3.264 -2.964 1.00 0.00 C ATOM 746 CG LYS A 218 -10.268 -2.063 -3.792 1.00 0.00 C ATOM 747 CD LYS A 218 -11.735 -1.743 -3.435 1.00 0.00 C ATOM 748 CE LYS A 218 -12.686 -2.604 -4.283 1.00 0.00 C ATOM 749 NZ LYS A 218 -14.103 -2.237 -3.986 1.00 0.00 N ATOM 0 H LYS A 218 -7.485 -2.275 -2.799 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.851 -2.009 -1.213 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -8.994 -3.801 -3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -10.579 -3.965 -2.790 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -9.642 -1.192 -3.600 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -10.186 -2.286 -4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -11.909 -1.931 -2.376 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -11.937 -0.686 -3.608 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -12.477 -2.456 -5.343 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -12.522 -3.660 -4.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -14.741 -2.822 -4.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -14.300 -2.400 -2.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -14.256 -1.233 -4.211 1.00 0.00 H new ATOM 763 N GLU A 219 -8.071 -4.726 -0.727 1.00 0.00 N ATOM 764 CA GLU A 219 -7.936 -5.896 0.186 1.00 0.00 C ATOM 765 C GLU A 219 -7.503 -5.452 1.589 1.00 0.00 C ATOM 766 O GLU A 219 -8.153 -5.773 2.567 1.00 0.00 O ATOM 767 CB GLU A 219 -6.878 -6.846 -0.374 1.00 0.00 C ATOM 768 CG GLU A 219 -7.354 -7.401 -1.716 1.00 0.00 C ATOM 769 CD GLU A 219 -8.567 -8.315 -1.514 1.00 0.00 C ATOM 770 OE1 GLU A 219 -8.752 -8.793 -0.406 1.00 0.00 O ATOM 771 OE2 GLU A 219 -9.287 -8.527 -2.476 1.00 0.00 O ATOM 0 H GLU A 219 -7.308 -4.605 -1.393 1.00 0.00 H new ATOM 0 HA GLU A 219 -8.904 -6.392 0.257 1.00 0.00 H new ATOM 0 HB2 GLU A 219 -5.932 -6.320 -0.500 1.00 0.00 H new ATOM 0 HB3 GLU A 219 -6.698 -7.662 0.326 1.00 0.00 H new ATOM 0 HG2 GLU A 219 -7.616 -6.581 -2.384 1.00 0.00 H new ATOM 0 HG3 GLU A 219 -6.547 -7.957 -2.194 1.00 0.00 H new ATOM 778 N ILE A 220 -6.403 -4.743 1.705 1.00 0.00 N ATOM 779 CA ILE A 220 -5.916 -4.307 3.059 1.00 0.00 C ATOM 780 C ILE A 220 -6.142 -2.806 3.274 1.00 0.00 C ATOM 781 O ILE A 220 -5.960 -2.302 4.360 1.00 0.00 O ATOM 782 CB ILE A 220 -4.413 -4.613 3.176 1.00 0.00 C ATOM 783 CG1 ILE A 220 -3.618 -3.840 2.101 1.00 0.00 C ATOM 784 CG2 ILE A 220 -4.181 -6.121 2.995 1.00 0.00 C ATOM 785 CD1 ILE A 220 -2.129 -3.825 2.460 1.00 0.00 C ATOM 0 H ILE A 220 -5.820 -4.447 0.922 1.00 0.00 H new ATOM 0 HA ILE A 220 -6.477 -4.851 3.819 1.00 0.00 H new ATOM 0 HB ILE A 220 -4.068 -4.301 4.162 1.00 0.00 H new ATOM 0 HG12 ILE A 220 -3.761 -4.306 1.126 1.00 0.00 H new ATOM 0 HG13 ILE A 220 -3.992 -2.819 2.024 1.00 0.00 H new ATOM 0 HG21 ILE A 220 -3.116 -6.338 3.078 1.00 0.00 H new ATOM 0 HG22 ILE A 220 -4.724 -6.668 3.766 1.00 0.00 H new ATOM 0 HG23 ILE A 220 -4.538 -6.429 2.012 1.00 0.00 H new ATOM 0 HD11 ILE A 220 -1.576 -3.278 1.696 1.00 0.00 H new ATOM 0 HD12 ILE A 220 -1.992 -3.338 3.426 1.00 0.00 H new ATOM 0 HD13 ILE A 220 -1.757 -4.848 2.514 1.00 0.00 H new ATOM 797 N GLY A 221 -6.500 -2.076 2.259 1.00 0.00 N ATOM 798 CA GLY A 221 -6.694 -0.603 2.437 1.00 0.00 C ATOM 799 C GLY A 221 -8.121 -0.296 2.884 1.00 0.00 C ATOM 800 O GLY A 221 -8.931 -1.176 3.096 1.00 0.00 O ATOM 0 H GLY A 221 -6.667 -2.428 1.316 1.00 0.00 H new ATOM 0 HA2 GLY A 221 -5.987 -0.225 3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 221 -6.482 -0.088 1.500 1.00 0.00 H new ATOM 804 N VAL A 222 -8.422 0.968 3.016 1.00 0.00 N ATOM 805 CA VAL A 222 -9.783 1.402 3.440 1.00 0.00 C ATOM 806 C VAL A 222 -10.109 2.685 2.676 1.00 0.00 C ATOM 807 O VAL A 222 -9.275 3.211 1.982 1.00 0.00 O ATOM 808 CB VAL A 222 -9.777 1.674 4.953 1.00 0.00 C ATOM 809 CG1 VAL A 222 -11.157 2.178 5.407 1.00 0.00 C ATOM 810 CG2 VAL A 222 -9.423 0.387 5.706 1.00 0.00 C ATOM 0 H VAL A 222 -7.768 1.732 2.844 1.00 0.00 H new ATOM 0 HA VAL A 222 -10.528 0.635 3.229 1.00 0.00 H new ATOM 0 HB VAL A 222 -9.032 2.439 5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 222 -11.140 2.367 6.480 1.00 0.00 H new ATOM 0 HG12 VAL A 222 -11.399 3.101 4.880 1.00 0.00 H new ATOM 0 HG13 VAL A 222 -11.911 1.424 5.183 1.00 0.00 H new ATOM 0 HG21 VAL A 222 -9.419 0.582 6.778 1.00 0.00 H new ATOM 0 HG22 VAL A 222 -10.162 -0.382 5.480 1.00 0.00 H new ATOM 0 HG23 VAL A 222 -8.436 0.044 5.396 1.00 0.00 H new ATOM 820 N GLN A 223 -11.312 3.183 2.778 1.00 0.00 N ATOM 821 CA GLN A 223 -11.691 4.434 2.038 1.00 0.00 C ATOM 822 C GLN A 223 -12.519 5.328 2.959 1.00 0.00 C ATOM 823 O GLN A 223 -13.161 4.860 3.877 1.00 0.00 O ATOM 824 CB GLN A 223 -12.537 4.056 0.814 1.00 0.00 C ATOM 825 CG GLN A 223 -13.017 5.322 0.088 1.00 0.00 C ATOM 826 CD GLN A 223 -11.817 6.178 -0.300 1.00 0.00 C ATOM 827 OE1 GLN A 223 -10.982 5.753 -1.069 1.00 0.00 O ATOM 828 NE2 GLN A 223 -11.681 7.367 0.217 1.00 0.00 N ATOM 0 H GLN A 223 -12.057 2.778 3.345 1.00 0.00 H new ATOM 0 HA GLN A 223 -10.792 4.962 1.719 1.00 0.00 H new ATOM 0 HB2 GLN A 223 -11.950 3.439 0.134 1.00 0.00 H new ATOM 0 HB3 GLN A 223 -13.395 3.460 1.126 1.00 0.00 H new ATOM 0 HG2 GLN A 223 -13.584 5.049 -0.802 1.00 0.00 H new ATOM 0 HG3 GLN A 223 -13.688 5.890 0.732 1.00 0.00 H new ATOM 0 HE21 GLN A 223 -12.383 7.725 0.864 1.00 0.00 H new ATOM 0 HE22 GLN A 223 -10.872 7.939 -0.026 1.00 0.00 H new ATOM 837 N ASN A 224 -12.511 6.616 2.731 1.00 0.00 N ATOM 838 CA ASN A 224 -13.299 7.519 3.611 1.00 0.00 C ATOM 839 C ASN A 224 -13.686 8.773 2.838 1.00 0.00 C ATOM 840 O ASN A 224 -12.839 9.534 2.401 1.00 0.00 O ATOM 841 CB ASN A 224 -12.448 7.934 4.813 1.00 0.00 C ATOM 842 CG ASN A 224 -11.598 6.749 5.262 1.00 0.00 C ATOM 843 OD1 ASN A 224 -12.000 5.977 6.109 1.00 0.00 O ATOM 844 ND2 ASN A 224 -10.431 6.571 4.708 1.00 0.00 N ATOM 0 H ASN A 224 -11.997 7.075 1.979 1.00 0.00 H new ATOM 0 HA ASN A 224 -14.193 6.995 3.948 1.00 0.00 H new ATOM 0 HB2 ASN A 224 -11.808 8.775 4.547 1.00 0.00 H new ATOM 0 HB3 ASN A 224 -13.089 8.267 5.629 1.00 0.00 H new ATOM 0 HD21 ASN A 224 -9.850 5.780 4.985 1.00 0.00 H new ATOM 0 HD22 ASN A 224 -10.099 7.223 3.997 1.00 0.00 H new ATOM 851 N VAL A 225 -14.957 9.007 2.703 1.00 0.00 N ATOM 852 CA VAL A 225 -15.432 10.232 2.004 1.00 0.00 C ATOM 853 C VAL A 225 -15.758 11.258 3.082 1.00 0.00 C ATOM 854 O VAL A 225 -16.272 10.914 4.130 1.00 0.00 O ATOM 855 CB VAL A 225 -16.689 9.919 1.199 1.00 0.00 C ATOM 856 CG1 VAL A 225 -16.348 8.942 0.070 1.00 0.00 C ATOM 857 CG2 VAL A 225 -17.720 9.282 2.128 1.00 0.00 C ATOM 0 H VAL A 225 -15.697 8.396 3.050 1.00 0.00 H new ATOM 0 HA VAL A 225 -14.672 10.607 1.318 1.00 0.00 H new ATOM 0 HB VAL A 225 -17.090 10.836 0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -17.248 8.720 -0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -15.601 9.390 -0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -15.952 8.020 0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -18.625 9.053 1.565 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -17.312 8.363 2.549 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -17.960 9.975 2.934 1.00 0.00 H new ATOM 867 N LYS A 226 -15.422 12.496 2.868 1.00 0.00 N ATOM 868 CA LYS A 226 -15.671 13.541 3.911 1.00 0.00 C ATOM 869 C LYS A 226 -16.443 14.724 3.320 1.00 0.00 C ATOM 870 O LYS A 226 -17.002 14.632 2.246 1.00 0.00 O ATOM 871 CB LYS A 226 -14.312 13.964 4.462 1.00 0.00 C ATOM 872 CG LYS A 226 -13.561 12.677 4.836 1.00 0.00 C ATOM 873 CD LYS A 226 -12.221 12.983 5.499 1.00 0.00 C ATOM 874 CE LYS A 226 -12.410 13.619 6.887 1.00 0.00 C ATOM 875 NZ LYS A 226 -12.424 15.101 6.747 1.00 0.00 N ATOM 0 H LYS A 226 -14.983 12.837 2.013 1.00 0.00 H new ATOM 0 HA LYS A 226 -16.289 13.148 4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 226 -13.755 14.534 3.719 1.00 0.00 H new ATOM 0 HB3 LYS A 226 -14.432 14.608 5.333 1.00 0.00 H new ATOM 0 HG2 LYS A 226 -14.174 12.080 5.511 1.00 0.00 H new ATOM 0 HG3 LYS A 226 -13.396 12.077 3.941 1.00 0.00 H new ATOM 0 HD2 LYS A 226 -11.643 12.064 5.595 1.00 0.00 H new ATOM 0 HD3 LYS A 226 -11.645 13.657 4.864 1.00 0.00 H new ATOM 0 HE2 LYS A 226 -13.343 13.275 7.334 1.00 0.00 H new ATOM 0 HE3 LYS A 226 -11.604 13.312 7.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 226 -11.548 15.496 7.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 226 -12.491 15.354 5.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 226 -13.243 15.490 7.257 1.00 0.00 H new ATOM 889 N GLY A 227 -16.507 15.814 4.043 1.00 0.00 N ATOM 890 CA GLY A 227 -17.270 17.024 3.580 1.00 0.00 C ATOM 891 C GLY A 227 -17.222 17.172 2.050 1.00 0.00 C ATOM 892 O GLY A 227 -18.144 16.804 1.352 1.00 0.00 O ATOM 0 H GLY A 227 -16.056 15.922 4.951 1.00 0.00 H new ATOM 0 HA2 GLY A 227 -18.307 16.948 3.906 1.00 0.00 H new ATOM 0 HA3 GLY A 227 -16.854 17.917 4.046 1.00 0.00 H new ATOM 896 N ILE A 228 -16.144 17.700 1.527 1.00 0.00 N ATOM 897 CA ILE A 228 -16.028 17.863 0.045 1.00 0.00 C ATOM 898 C ILE A 228 -15.779 16.491 -0.580 1.00 0.00 C ATOM 899 O ILE A 228 -15.393 16.381 -1.724 1.00 0.00 O ATOM 900 CB ILE A 228 -14.878 18.837 -0.297 1.00 0.00 C ATOM 901 CG1 ILE A 228 -13.530 18.282 0.198 1.00 0.00 C ATOM 902 CG2 ILE A 228 -15.139 20.184 0.375 1.00 0.00 C ATOM 903 CD1 ILE A 228 -12.386 19.185 -0.289 1.00 0.00 C ATOM 0 H ILE A 228 -15.339 18.025 2.062 1.00 0.00 H new ATOM 0 HA ILE A 228 -16.951 18.282 -0.356 1.00 0.00 H new ATOM 0 HB ILE A 228 -14.835 18.957 -1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -13.526 18.229 1.287 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -13.387 17.266 -0.171 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -14.329 20.873 0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -16.083 20.594 0.015 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -15.192 20.048 1.455 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -11.434 18.788 0.064 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -12.385 19.215 -1.379 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -12.526 20.193 0.102 1.00 0.00 H new ATOM 915 N HIS A 229 -15.976 15.452 0.194 1.00 0.00 N ATOM 916 CA HIS A 229 -15.741 14.059 -0.290 1.00 0.00 C ATOM 917 C HIS A 229 -14.244 13.859 -0.472 1.00 0.00 C ATOM 918 O HIS A 229 -13.771 13.567 -1.551 1.00 0.00 O ATOM 919 CB HIS A 229 -16.470 13.789 -1.619 1.00 0.00 C ATOM 920 CG HIS A 229 -17.908 14.195 -1.485 1.00 0.00 C ATOM 921 ND1 HIS A 229 -18.743 13.625 -0.542 1.00 0.00 N ATOM 922 CD2 HIS A 229 -18.673 15.111 -2.165 1.00 0.00 C ATOM 923 CE1 HIS A 229 -19.950 14.197 -0.672 1.00 0.00 C ATOM 924 NE2 HIS A 229 -19.963 15.113 -1.650 1.00 0.00 N ATOM 0 H HIS A 229 -16.296 15.514 1.160 1.00 0.00 H new ATOM 0 HA HIS A 229 -16.136 13.359 0.446 1.00 0.00 H new ATOM 0 HB2 HIS A 229 -15.996 14.346 -2.427 1.00 0.00 H new ATOM 0 HB3 HIS A 229 -16.401 12.732 -1.877 1.00 0.00 H new ATOM 0 HD2 HIS A 229 -18.325 15.734 -2.976 1.00 0.00 H new ATOM 0 HE1 HIS A 229 -20.807 13.949 -0.063 1.00 0.00 H new ATOM 0 HE2 HIS A 229 -20.750 15.688 -1.951 1.00 0.00 H new ATOM 932 N LYS A 230 -13.490 14.018 0.582 1.00 0.00 N ATOM 933 CA LYS A 230 -12.021 13.838 0.465 1.00 0.00 C ATOM 934 C LYS A 230 -11.712 12.350 0.426 1.00 0.00 C ATOM 935 O LYS A 230 -11.976 11.616 1.358 1.00 0.00 O ATOM 936 CB LYS A 230 -11.316 14.497 1.656 1.00 0.00 C ATOM 937 CG LYS A 230 -11.559 16.009 1.604 1.00 0.00 C ATOM 938 CD LYS A 230 -10.624 16.743 2.585 1.00 0.00 C ATOM 939 CE LYS A 230 -11.048 16.505 4.050 1.00 0.00 C ATOM 940 NZ LYS A 230 -10.160 15.466 4.645 1.00 0.00 N ATOM 0 H LYS A 230 -13.828 14.263 1.512 1.00 0.00 H new ATOM 0 HA LYS A 230 -11.661 14.309 -0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 230 -11.695 14.087 2.592 1.00 0.00 H new ATOM 0 HB3 LYS A 230 -10.247 14.286 1.625 1.00 0.00 H new ATOM 0 HG2 LYS A 230 -11.392 16.375 0.591 1.00 0.00 H new ATOM 0 HG3 LYS A 230 -12.598 16.225 1.853 1.00 0.00 H new ATOM 0 HD2 LYS A 230 -9.600 16.399 2.440 1.00 0.00 H new ATOM 0 HD3 LYS A 230 -10.635 17.812 2.370 1.00 0.00 H new ATOM 0 HE2 LYS A 230 -10.977 17.432 4.619 1.00 0.00 H new ATOM 0 HE3 LYS A 230 -12.088 16.182 4.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 230 -10.357 15.382 5.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 230 -10.336 14.552 4.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 230 -9.166 15.738 4.507 1.00 0.00 H new ATOM 954 N ASN A 231 -11.162 11.898 -0.659 1.00 0.00 N ATOM 955 CA ASN A 231 -10.841 10.459 -0.780 1.00 0.00 C ATOM 956 C ASN A 231 -9.571 10.162 0.009 1.00 0.00 C ATOM 957 O ASN A 231 -8.527 10.711 -0.268 1.00 0.00 O ATOM 958 CB ASN A 231 -10.616 10.135 -2.259 1.00 0.00 C ATOM 959 CG ASN A 231 -11.658 10.877 -3.098 1.00 0.00 C ATOM 960 OD1 ASN A 231 -12.830 10.557 -3.054 1.00 0.00 O ATOM 961 ND2 ASN A 231 -11.282 11.876 -3.856 1.00 0.00 N ATOM 0 H ASN A 231 -10.920 12.467 -1.470 1.00 0.00 H new ATOM 0 HA ASN A 231 -11.658 9.853 -0.387 1.00 0.00 H new ATOM 0 HB2 ASN A 231 -9.611 10.431 -2.560 1.00 0.00 H new ATOM 0 HB3 ASN A 231 -10.695 9.061 -2.425 1.00 0.00 H new ATOM 0 HD21 ASN A 231 -11.972 12.385 -4.409 1.00 0.00 H new ATOM 0 HD22 ASN A 231 -10.299 12.146 -3.894 1.00 0.00 H new ATOM 968 N THR A 232 -9.644 9.299 0.988 1.00 0.00 N ATOM 969 CA THR A 232 -8.426 8.967 1.791 1.00 0.00 C ATOM 970 C THR A 232 -8.374 7.465 2.037 1.00 0.00 C ATOM 971 O THR A 232 -9.386 6.833 2.275 1.00 0.00 O ATOM 972 CB THR A 232 -8.493 9.689 3.130 1.00 0.00 C ATOM 973 OG1 THR A 232 -9.683 9.321 3.803 1.00 0.00 O ATOM 974 CG2 THR A 232 -8.477 11.192 2.889 1.00 0.00 C ATOM 0 H THR A 232 -10.494 8.809 1.268 1.00 0.00 H new ATOM 0 HA THR A 232 -7.536 9.281 1.246 1.00 0.00 H new ATOM 0 HB THR A 232 -7.635 9.413 3.743 1.00 0.00 H new ATOM 0 HG1 THR A 232 -9.727 9.783 4.666 1.00 0.00 H new ATOM 0 HG21 THR A 232 -8.525 11.714 3.845 1.00 0.00 H new ATOM 0 HG22 THR A 232 -7.559 11.468 2.370 1.00 0.00 H new ATOM 0 HG23 THR A 232 -9.336 11.472 2.279 1.00 0.00 H new ATOM 982 N TRP A 233 -7.197 6.886 1.966 1.00 0.00 N ATOM 983 CA TRP A 233 -7.052 5.415 2.175 1.00 0.00 C ATOM 984 C TRP A 233 -6.207 5.126 3.413 1.00 0.00 C ATOM 985 O TRP A 233 -5.348 5.905 3.784 1.00 0.00 O ATOM 986 CB TRP A 233 -6.372 4.810 0.950 1.00 0.00 C ATOM 987 CG TRP A 233 -7.322 4.868 -0.197 1.00 0.00 C ATOM 988 CD1 TRP A 233 -7.548 5.960 -0.963 1.00 0.00 C ATOM 989 CD2 TRP A 233 -8.193 3.817 -0.703 1.00 0.00 C ATOM 990 NE1 TRP A 233 -8.502 5.647 -1.912 1.00 0.00 N ATOM 991 CE2 TRP A 233 -8.932 4.334 -1.793 1.00 0.00 C ATOM 992 CE3 TRP A 233 -8.410 2.478 -0.329 1.00 0.00 C ATOM 993 CZ2 TRP A 233 -9.858 3.549 -2.483 1.00 0.00 C ATOM 994 CZ3 TRP A 233 -9.340 1.688 -1.020 1.00 0.00 C ATOM 995 CH2 TRP A 233 -10.063 2.221 -2.094 1.00 0.00 C ATOM 0 H TRP A 233 -6.325 7.378 1.770 1.00 0.00 H new ATOM 0 HA TRP A 233 -8.040 4.977 2.319 1.00 0.00 H new ATOM 0 HB2 TRP A 233 -5.460 5.358 0.714 1.00 0.00 H new ATOM 0 HB3 TRP A 233 -6.082 3.778 1.149 1.00 0.00 H new ATOM 0 HD1 TRP A 233 -7.063 6.918 -0.851 1.00 0.00 H new ATOM 0 HE1 TRP A 233 -8.848 6.301 -2.614 1.00 0.00 H new ATOM 0 HE3 TRP A 233 -7.856 2.056 0.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 233 -10.412 3.964 -3.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 233 -9.500 0.662 -0.722 1.00 0.00 H new ATOM 0 HH2 TRP A 233 -10.778 1.607 -2.622 1.00 0.00 H new ATOM 1006 N GLU A 234 -6.442 3.999 4.050 1.00 0.00 N ATOM 1007 CA GLU A 234 -5.644 3.631 5.263 1.00 0.00 C ATOM 1008 C GLU A 234 -5.351 2.122 5.247 1.00 0.00 C ATOM 1009 O GLU A 234 -6.235 1.318 5.018 1.00 0.00 O ATOM 1010 CB GLU A 234 -6.440 3.956 6.535 1.00 0.00 C ATOM 1011 CG GLU A 234 -6.535 5.472 6.741 1.00 0.00 C ATOM 1012 CD GLU A 234 -6.981 5.746 8.179 1.00 0.00 C ATOM 1013 OE1 GLU A 234 -8.106 5.409 8.504 1.00 0.00 O ATOM 1014 OE2 GLU A 234 -6.187 6.278 8.933 1.00 0.00 O ATOM 0 H GLU A 234 -7.153 3.319 3.780 1.00 0.00 H new ATOM 0 HA GLU A 234 -4.713 4.198 5.254 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -7.441 3.530 6.463 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -5.959 3.496 7.398 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -5.570 5.940 6.549 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -7.245 5.905 6.036 1.00 0.00 H new ATOM 1021 N LEU A 235 -4.129 1.710 5.508 1.00 0.00 N ATOM 1022 CA LEU A 235 -3.837 0.240 5.521 1.00 0.00 C ATOM 1023 C LEU A 235 -4.568 -0.377 6.713 1.00 0.00 C ATOM 1024 O LEU A 235 -4.359 0.021 7.838 1.00 0.00 O ATOM 1025 CB LEU A 235 -2.328 -0.020 5.674 1.00 0.00 C ATOM 1026 CG LEU A 235 -1.580 0.517 4.445 1.00 0.00 C ATOM 1027 CD1 LEU A 235 -0.064 0.389 4.653 1.00 0.00 C ATOM 1028 CD2 LEU A 235 -1.993 -0.268 3.182 1.00 0.00 C ATOM 0 H LEU A 235 -3.335 2.318 5.709 1.00 0.00 H new ATOM 0 HA LEU A 235 -4.169 -0.201 4.581 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -1.956 0.464 6.577 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -2.143 -1.088 5.785 1.00 0.00 H new ATOM 0 HG LEU A 235 -1.839 1.568 4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 235 0.457 0.772 3.776 1.00 0.00 H new ATOM 0 HD12 LEU A 235 0.233 0.963 5.531 1.00 0.00 H new ATOM 0 HD13 LEU A 235 0.196 -0.659 4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.455 0.123 2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -1.750 -1.322 3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -3.066 -0.160 3.021 1.00 0.00 H new ATOM 1040 N LYS A 236 -5.419 -1.340 6.487 1.00 0.00 N ATOM 1041 CA LYS A 236 -6.151 -1.965 7.619 1.00 0.00 C ATOM 1042 C LYS A 236 -5.135 -2.578 8.609 1.00 0.00 C ATOM 1043 O LYS A 236 -4.457 -3.529 8.274 1.00 0.00 O ATOM 1044 CB LYS A 236 -7.036 -3.098 7.075 1.00 0.00 C ATOM 1045 CG LYS A 236 -8.291 -2.542 6.397 1.00 0.00 C ATOM 1046 CD LYS A 236 -9.263 -3.697 6.145 1.00 0.00 C ATOM 1047 CE LYS A 236 -10.552 -3.151 5.547 1.00 0.00 C ATOM 1048 NZ LYS A 236 -11.496 -4.274 5.286 1.00 0.00 N ATOM 0 H LYS A 236 -5.638 -1.720 5.566 1.00 0.00 H new ATOM 0 HA LYS A 236 -6.758 -1.211 8.121 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -6.469 -3.696 6.362 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -7.324 -3.762 7.890 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -8.758 -1.786 7.028 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -8.029 -2.056 5.457 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -8.814 -4.424 5.468 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -9.475 -4.219 7.078 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -11.006 -2.432 6.229 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -10.338 -2.619 4.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -12.376 -3.900 4.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -11.062 -4.944 4.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -11.709 -4.763 6.179 1.00 0.00 H new ATOM 1062 N PRO A 237 -5.028 -2.070 9.818 1.00 0.00 N ATOM 1063 CA PRO A 237 -4.087 -2.630 10.829 1.00 0.00 C ATOM 1064 C PRO A 237 -4.739 -3.792 11.578 1.00 0.00 C ATOM 1065 O PRO A 237 -4.146 -4.425 12.427 1.00 0.00 O ATOM 1066 CB PRO A 237 -3.859 -1.455 11.773 1.00 0.00 C ATOM 1067 CG PRO A 237 -5.166 -0.730 11.778 1.00 0.00 C ATOM 1068 CD PRO A 237 -5.779 -0.925 10.377 1.00 0.00 C ATOM 0 HA PRO A 237 -3.168 -3.021 10.393 1.00 0.00 H new ATOM 0 HB2 PRO A 237 -3.588 -1.794 12.773 1.00 0.00 H new ATOM 0 HB3 PRO A 237 -3.049 -0.814 11.423 1.00 0.00 H new ATOM 0 HG2 PRO A 237 -5.827 -1.126 12.549 1.00 0.00 H new ATOM 0 HG3 PRO A 237 -5.022 0.328 11.995 1.00 0.00 H new ATOM 0 HD2 PRO A 237 -6.847 -1.137 10.434 1.00 0.00 H new ATOM 0 HD3 PRO A 237 -5.663 -0.032 9.762 1.00 0.00 H new ATOM 1076 N GLU A 238 -5.984 -4.022 11.280 1.00 0.00 N ATOM 1077 CA GLU A 238 -6.768 -5.083 11.964 1.00 0.00 C ATOM 1078 C GLU A 238 -6.076 -6.446 11.879 1.00 0.00 C ATOM 1079 O GLU A 238 -6.008 -7.159 12.859 1.00 0.00 O ATOM 1080 CB GLU A 238 -8.136 -5.169 11.275 1.00 0.00 C ATOM 1081 CG GLU A 238 -8.972 -3.920 11.597 1.00 0.00 C ATOM 1082 CD GLU A 238 -9.359 -3.909 13.078 1.00 0.00 C ATOM 1083 OE1 GLU A 238 -8.591 -3.389 13.868 1.00 0.00 O ATOM 1084 OE2 GLU A 238 -10.422 -4.418 13.396 1.00 0.00 O ATOM 0 H GLU A 238 -6.504 -3.505 10.572 1.00 0.00 H new ATOM 0 HA GLU A 238 -6.864 -4.829 13.020 1.00 0.00 H new ATOM 0 HB2 GLU A 238 -8.003 -5.259 10.197 1.00 0.00 H new ATOM 0 HB3 GLU A 238 -8.663 -6.064 11.607 1.00 0.00 H new ATOM 0 HG2 GLU A 238 -8.404 -3.021 11.356 1.00 0.00 H new ATOM 0 HG3 GLU A 238 -9.870 -3.905 10.979 1.00 0.00 H new ATOM 1091 N TYR A 239 -5.589 -6.836 10.724 1.00 0.00 N ATOM 1092 CA TYR A 239 -4.933 -8.182 10.606 1.00 0.00 C ATOM 1093 C TYR A 239 -3.603 -8.112 9.854 1.00 0.00 C ATOM 1094 O TYR A 239 -3.145 -9.107 9.333 1.00 0.00 O ATOM 1095 CB TYR A 239 -5.879 -9.137 9.880 1.00 0.00 C ATOM 1096 CG TYR A 239 -6.073 -8.689 8.452 1.00 0.00 C ATOM 1097 CD1 TYR A 239 -6.915 -7.611 8.161 1.00 0.00 C ATOM 1098 CD2 TYR A 239 -5.412 -9.359 7.418 1.00 0.00 C ATOM 1099 CE1 TYR A 239 -7.096 -7.202 6.836 1.00 0.00 C ATOM 1100 CE2 TYR A 239 -5.593 -8.955 6.094 1.00 0.00 C ATOM 1101 CZ TYR A 239 -6.433 -7.877 5.801 1.00 0.00 C ATOM 1102 OH TYR A 239 -6.617 -7.491 4.490 1.00 0.00 O ATOM 0 H TYR A 239 -5.616 -6.288 9.864 1.00 0.00 H new ATOM 0 HA TYR A 239 -4.722 -8.541 11.613 1.00 0.00 H new ATOM 0 HB2 TYR A 239 -5.473 -10.148 9.900 1.00 0.00 H new ATOM 0 HB3 TYR A 239 -6.840 -9.169 10.393 1.00 0.00 H new ATOM 0 HD1 TYR A 239 -7.426 -7.094 8.960 1.00 0.00 H new ATOM 0 HD2 TYR A 239 -4.761 -10.190 7.644 1.00 0.00 H new ATOM 0 HE1 TYR A 239 -7.745 -6.368 6.610 1.00 0.00 H new ATOM 0 HE2 TYR A 239 -5.084 -9.475 5.296 1.00 0.00 H new ATOM 0 HH TYR A 239 -7.338 -6.829 4.442 1.00 0.00 H new ATOM 1112 N ARG A 240 -2.950 -6.983 9.788 1.00 0.00 N ATOM 1113 CA ARG A 240 -1.646 -6.968 9.058 1.00 0.00 C ATOM 1114 C ARG A 240 -0.570 -7.661 9.899 1.00 0.00 C ATOM 1115 O ARG A 240 -0.071 -7.114 10.859 1.00 0.00 O ATOM 1116 CB ARG A 240 -1.199 -5.527 8.756 1.00 0.00 C ATOM 1117 CG ARG A 240 -1.902 -5.000 7.490 1.00 0.00 C ATOM 1118 CD ARG A 240 -1.249 -5.581 6.216 1.00 0.00 C ATOM 1119 NE ARG A 240 -1.895 -6.879 5.858 1.00 0.00 N ATOM 1120 CZ ARG A 240 -1.716 -7.396 4.674 1.00 0.00 C ATOM 1121 NH1 ARG A 240 -1.021 -6.749 3.778 1.00 0.00 N ATOM 1122 NH2 ARG A 240 -2.241 -8.557 4.382 1.00 0.00 N ATOM 0 H ARG A 240 -3.249 -6.096 10.193 1.00 0.00 H new ATOM 0 HA ARG A 240 -1.781 -7.499 8.116 1.00 0.00 H new ATOM 0 HB2 ARG A 240 -1.431 -4.882 9.604 1.00 0.00 H new ATOM 0 HB3 ARG A 240 -0.118 -5.496 8.619 1.00 0.00 H new ATOM 0 HG2 ARG A 240 -2.958 -5.268 7.517 1.00 0.00 H new ATOM 0 HG3 ARG A 240 -1.850 -3.911 7.466 1.00 0.00 H new ATOM 0 HD2 ARG A 240 -1.350 -4.875 5.391 1.00 0.00 H new ATOM 0 HD3 ARG A 240 -0.182 -5.729 6.380 1.00 0.00 H new ATOM 0 HE ARG A 240 -2.478 -7.363 6.541 1.00 0.00 H new ATOM 0 HH11 ARG A 240 -0.618 -5.840 4.004 1.00 0.00 H new ATOM 0 HH12 ARG A 240 -0.881 -7.153 2.852 1.00 0.00 H new ATOM 0 HH21 ARG A 240 -2.790 -9.058 5.080 1.00 0.00 H new ATOM 0 HH22 ARG A 240 -2.101 -8.962 3.456 1.00 0.00 H new ATOM 1136 N HIS A 241 -0.191 -8.855 9.521 1.00 0.00 N ATOM 1137 CA HIS A 241 0.875 -9.582 10.271 1.00 0.00 C ATOM 1138 C HIS A 241 2.235 -9.152 9.704 1.00 0.00 C ATOM 1139 O HIS A 241 3.279 -9.497 10.219 1.00 0.00 O ATOM 1140 CB HIS A 241 0.703 -11.093 10.075 1.00 0.00 C ATOM 1141 CG HIS A 241 -0.653 -11.531 10.568 1.00 0.00 C ATOM 1142 ND1 HIS A 241 -0.863 -11.971 11.867 1.00 0.00 N ATOM 1143 CD2 HIS A 241 -1.875 -11.610 9.945 1.00 0.00 C ATOM 1144 CE1 HIS A 241 -2.167 -12.290 11.980 1.00 0.00 C ATOM 1145 NE2 HIS A 241 -2.829 -12.092 10.838 1.00 0.00 N ATOM 0 H HIS A 241 -0.576 -9.359 8.722 1.00 0.00 H new ATOM 0 HA HIS A 241 0.812 -9.350 11.334 1.00 0.00 H new ATOM 0 HB2 HIS A 241 0.813 -11.345 9.020 1.00 0.00 H new ATOM 0 HB3 HIS A 241 1.484 -11.628 10.614 1.00 0.00 H new ATOM 0 HD2 HIS A 241 -2.067 -11.339 8.917 1.00 0.00 H new ATOM 0 HE1 HIS A 241 -2.622 -12.661 12.886 1.00 0.00 H new ATOM 0 HE2 HIS A 241 -3.819 -12.258 10.658 1.00 0.00 H new ATOM 1153 N TYR A 242 2.205 -8.403 8.633 1.00 0.00 N ATOM 1154 CA TYR A 242 3.454 -7.919 7.975 1.00 0.00 C ATOM 1155 C TYR A 242 3.452 -6.388 7.982 1.00 0.00 C ATOM 1156 O TYR A 242 2.478 -5.762 7.614 1.00 0.00 O ATOM 1157 CB TYR A 242 3.469 -8.454 6.540 1.00 0.00 C ATOM 1158 CG TYR A 242 4.495 -7.720 5.717 1.00 0.00 C ATOM 1159 CD1 TYR A 242 5.827 -8.142 5.699 1.00 0.00 C ATOM 1160 CD2 TYR A 242 4.098 -6.611 4.967 1.00 0.00 C ATOM 1161 CE1 TYR A 242 6.765 -7.450 4.925 1.00 0.00 C ATOM 1162 CE2 TYR A 242 5.028 -5.919 4.195 1.00 0.00 C ATOM 1163 CZ TYR A 242 6.366 -6.336 4.172 1.00 0.00 C ATOM 1164 OH TYR A 242 7.292 -5.655 3.408 1.00 0.00 O ATOM 0 H TYR A 242 1.345 -8.099 8.176 1.00 0.00 H new ATOM 0 HA TYR A 242 4.342 -8.269 8.502 1.00 0.00 H new ATOM 0 HB2 TYR A 242 3.693 -9.521 6.545 1.00 0.00 H new ATOM 0 HB3 TYR A 242 2.482 -8.338 6.091 1.00 0.00 H new ATOM 0 HD1 TYR A 242 6.131 -9.000 6.281 1.00 0.00 H new ATOM 0 HD2 TYR A 242 3.067 -6.289 4.986 1.00 0.00 H new ATOM 0 HE1 TYR A 242 7.795 -7.773 4.907 1.00 0.00 H new ATOM 0 HE2 TYR A 242 4.719 -5.062 3.615 1.00 0.00 H new ATOM 0 HH TYR A 242 6.992 -4.731 3.277 1.00 0.00 H new ATOM 1174 N GLN A 243 4.532 -5.786 8.402 1.00 0.00 N ATOM 1175 CA GLN A 243 4.599 -4.295 8.442 1.00 0.00 C ATOM 1176 C GLN A 243 6.019 -3.855 8.812 1.00 0.00 C ATOM 1177 O GLN A 243 6.610 -3.028 8.150 1.00 0.00 O ATOM 1178 CB GLN A 243 3.609 -3.761 9.483 1.00 0.00 C ATOM 1179 CG GLN A 243 3.939 -4.327 10.867 1.00 0.00 C ATOM 1180 CD GLN A 243 2.937 -3.775 11.883 1.00 0.00 C ATOM 1181 OE1 GLN A 243 3.290 -2.986 12.738 1.00 0.00 O ATOM 1182 NE2 GLN A 243 1.691 -4.157 11.824 1.00 0.00 N ATOM 0 H GLN A 243 5.375 -6.264 8.721 1.00 0.00 H new ATOM 0 HA GLN A 243 4.340 -3.897 7.461 1.00 0.00 H new ATOM 0 HB2 GLN A 243 3.649 -2.672 9.509 1.00 0.00 H new ATOM 0 HB3 GLN A 243 2.592 -4.036 9.203 1.00 0.00 H new ATOM 0 HG2 GLN A 243 3.895 -5.416 10.849 1.00 0.00 H new ATOM 0 HG3 GLN A 243 4.955 -4.054 11.153 1.00 0.00 H new ATOM 0 HE21 GLN A 243 1.394 -4.819 11.107 1.00 0.00 H new ATOM 0 HE22 GLN A 243 1.014 -3.794 12.495 1.00 0.00 H new TER 1191 GLN A 243