USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=14 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= -1.31! C(o=-1.6!,f=-2.3!) USER MOD Set 1.2: A 232 THR OG1 : rot 180:sc= -0.331 USER MOD Set 2.1: A 194 HIS : no HD1:sc= -1.22 X(o=-0.43,f=-0.2) USER MOD Set 2.2: A 197 TYR OH : rot 46:sc= 0.794 USER MOD Set 3.1: A 182 HIS : no HD1:sc= -0.0258 X(o=-0.026,f=-0.16) USER MOD Set 3.2: A 186 MET CE :methyl -134:sc= 0 (180deg=0) USER MOD Single : A 180 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.0148) USER MOD Single : A 181 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.2) USER MOD Single : A 189 SER OG : rot -25:sc= -0.0438 USER MOD Single : A 193 LYS NZ :NH3+ -159:sc= -0.137 (180deg=-0.802) USER MOD Single : A 195 GLN : amide:sc= -0.0557 X(o=-0.056,f=-0.056) USER MOD Single : A 196 TYR OH : rot 180:sc= 0 USER MOD Single : A 198 ASN : amide:sc= -4.19! C(o=-4.2!,f=-17!) USER MOD Single : A 200 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 THR OG1 : rot 41:sc= 0.368 USER MOD Single : A 207 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 GLN : amide:sc= -3.87! C(o=-3.9!,f=-7.2!) USER MOD Single : A 212 TYR OH : rot 80:sc= 0.634 USER MOD Single : A 214 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 LYS NZ :NH3+ -122:sc= -1.15 (180deg=-2.28!) USER MOD Single : A 223 GLN : amide:sc= -12.1! C(o=-12!,f=-1.7!) USER MOD Single : A 226 LYS NZ :NH3+ 156:sc= -0.0724 (180deg=-0.445) USER MOD Single : A 229 HIS : no HD1:sc= -3.45! C(o=-3.4!,f=-2!) USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 231 ASN : amide:sc= -0.0465 X(o=-0.046,f=-0.046) USER MOD Single : A 236 LYS NZ :NH3+ 141:sc= -2.11 (180deg=-4.77!) USER MOD Single : A 239 TYR OH : rot -24:sc= -0.0866 USER MOD Single : A 241 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 242 TYR OH : rot 103:sc= 0.601 USER MOD Single : A 243 GLN : amide:sc= 0.858 K(o=0.86,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 175 4.777 -13.325 -11.242 1.00 0.00 N ATOM 2 CA ARG A 175 3.425 -12.704 -11.147 1.00 0.00 C ATOM 3 C ARG A 175 3.563 -11.255 -10.679 1.00 0.00 C ATOM 4 O ARG A 175 4.524 -10.885 -10.032 1.00 0.00 O ATOM 5 CB ARG A 175 2.564 -13.520 -10.156 1.00 0.00 C ATOM 6 CG ARG A 175 1.234 -12.811 -9.807 1.00 0.00 C ATOM 7 CD ARG A 175 0.304 -12.747 -11.025 1.00 0.00 C ATOM 8 NE ARG A 175 0.016 -14.130 -11.496 1.00 0.00 N ATOM 9 CZ ARG A 175 -0.999 -14.362 -12.283 1.00 0.00 C ATOM 10 NH1 ARG A 175 -1.771 -13.380 -12.668 1.00 0.00 N ATOM 11 NH2 ARG A 175 -1.239 -15.577 -12.685 1.00 0.00 N ATOM 0 HA ARG A 175 2.939 -12.708 -12.123 1.00 0.00 H new ATOM 0 HB2 ARG A 175 2.349 -14.498 -10.586 1.00 0.00 H new ATOM 0 HB3 ARG A 175 3.132 -13.692 -9.242 1.00 0.00 H new ATOM 0 HG2 ARG A 175 0.738 -13.342 -8.995 1.00 0.00 H new ATOM 0 HG3 ARG A 175 1.439 -11.802 -9.449 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -0.624 -12.239 -10.762 1.00 0.00 H new ATOM 0 HD3 ARG A 175 0.770 -12.168 -11.823 1.00 0.00 H new ATOM 0 HE ARG A 175 0.616 -14.901 -11.202 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -1.581 -12.429 -12.353 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -2.563 -13.565 -13.283 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -0.635 -16.342 -12.385 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -2.031 -15.764 -13.300 1.00 0.00 H new ATOM 25 N ALA A 176 2.596 -10.436 -10.991 1.00 0.00 N ATOM 26 CA ALA A 176 2.651 -9.014 -10.563 1.00 0.00 C ATOM 27 C ALA A 176 2.723 -8.950 -9.034 1.00 0.00 C ATOM 28 O ALA A 176 2.709 -7.885 -8.452 1.00 0.00 O ATOM 29 CB ALA A 176 1.393 -8.283 -11.041 1.00 0.00 C ATOM 0 H ALA A 176 1.767 -10.694 -11.527 1.00 0.00 H new ATOM 0 HA ALA A 176 3.532 -8.539 -10.995 1.00 0.00 H new ATOM 0 HB1 ALA A 176 1.436 -7.240 -10.726 1.00 0.00 H new ATOM 0 HB2 ALA A 176 1.335 -8.331 -12.128 1.00 0.00 H new ATOM 0 HB3 ALA A 176 0.511 -8.756 -10.610 1.00 0.00 H new ATOM 35 N ARG A 177 2.806 -10.078 -8.368 1.00 0.00 N ATOM 36 CA ARG A 177 2.883 -10.047 -6.882 1.00 0.00 C ATOM 37 C ARG A 177 4.223 -9.448 -6.478 1.00 0.00 C ATOM 38 O ARG A 177 4.400 -8.986 -5.370 1.00 0.00 O ATOM 39 CB ARG A 177 2.765 -11.460 -6.301 1.00 0.00 C ATOM 40 CG ARG A 177 2.916 -11.390 -4.773 1.00 0.00 C ATOM 41 CD ARG A 177 2.434 -12.693 -4.134 1.00 0.00 C ATOM 42 NE ARG A 177 2.974 -12.794 -2.735 1.00 0.00 N ATOM 43 CZ ARG A 177 4.257 -12.842 -2.502 1.00 0.00 C ATOM 44 NH1 ARG A 177 5.101 -13.004 -3.486 1.00 0.00 N ATOM 45 NH2 ARG A 177 4.699 -12.773 -1.270 1.00 0.00 N ATOM 0 H ARG A 177 2.823 -11.007 -8.789 1.00 0.00 H new ATOM 0 HA ARG A 177 2.061 -9.446 -6.495 1.00 0.00 H new ATOM 0 HB2 ARG A 177 1.801 -11.895 -6.564 1.00 0.00 H new ATOM 0 HB3 ARG A 177 3.533 -12.106 -6.726 1.00 0.00 H new ATOM 0 HG2 ARG A 177 3.959 -11.212 -4.511 1.00 0.00 H new ATOM 0 HG3 ARG A 177 2.342 -10.550 -4.382 1.00 0.00 H new ATOM 0 HD2 ARG A 177 1.344 -12.721 -4.118 1.00 0.00 H new ATOM 0 HD3 ARG A 177 2.766 -13.546 -4.726 1.00 0.00 H new ATOM 0 HE ARG A 177 2.323 -12.826 -1.950 1.00 0.00 H new ATOM 0 HH11 ARG A 177 4.758 -13.094 -4.442 1.00 0.00 H new ATOM 0 HH12 ARG A 177 6.103 -13.041 -3.298 1.00 0.00 H new ATOM 0 HH21 ARG A 177 4.041 -12.682 -0.496 1.00 0.00 H new ATOM 0 HH22 ARG A 177 5.701 -12.810 -1.085 1.00 0.00 H new ATOM 59 N ALA A 178 5.168 -9.431 -7.369 1.00 0.00 N ATOM 60 CA ALA A 178 6.477 -8.834 -7.021 1.00 0.00 C ATOM 61 C ALA A 178 6.239 -7.363 -6.727 1.00 0.00 C ATOM 62 O ALA A 178 6.613 -6.847 -5.690 1.00 0.00 O ATOM 63 CB ALA A 178 7.426 -8.965 -8.209 1.00 0.00 C ATOM 0 H ALA A 178 5.091 -9.802 -8.316 1.00 0.00 H new ATOM 0 HA ALA A 178 6.917 -9.337 -6.160 1.00 0.00 H new ATOM 0 HB1 ALA A 178 8.391 -8.526 -7.954 1.00 0.00 H new ATOM 0 HB2 ALA A 178 7.560 -10.019 -8.453 1.00 0.00 H new ATOM 0 HB3 ALA A 178 7.006 -8.444 -9.069 1.00 0.00 H new ATOM 69 N ASP A 179 5.592 -6.693 -7.632 1.00 0.00 N ATOM 70 CA ASP A 179 5.288 -5.265 -7.409 1.00 0.00 C ATOM 71 C ASP A 179 4.416 -5.156 -6.162 1.00 0.00 C ATOM 72 O ASP A 179 4.582 -4.280 -5.355 1.00 0.00 O ATOM 73 CB ASP A 179 4.530 -4.713 -8.617 1.00 0.00 C ATOM 74 CG ASP A 179 5.474 -4.627 -9.821 1.00 0.00 C ATOM 75 OD1 ASP A 179 6.672 -4.732 -9.621 1.00 0.00 O ATOM 76 OD2 ASP A 179 4.981 -4.459 -10.926 1.00 0.00 O ATOM 0 H ASP A 179 5.261 -7.076 -8.517 1.00 0.00 H new ATOM 0 HA ASP A 179 6.207 -4.695 -7.277 1.00 0.00 H new ATOM 0 HB2 ASP A 179 3.682 -5.356 -8.852 1.00 0.00 H new ATOM 0 HB3 ASP A 179 4.127 -3.727 -8.387 1.00 0.00 H new ATOM 81 N LYS A 180 3.486 -6.048 -5.999 1.00 0.00 N ATOM 82 CA LYS A 180 2.600 -5.989 -4.798 1.00 0.00 C ATOM 83 C LYS A 180 3.434 -5.870 -3.518 1.00 0.00 C ATOM 84 O LYS A 180 3.318 -4.912 -2.788 1.00 0.00 O ATOM 85 CB LYS A 180 1.759 -7.270 -4.722 1.00 0.00 C ATOM 86 CG LYS A 180 0.792 -7.193 -3.535 1.00 0.00 C ATOM 87 CD LYS A 180 -0.118 -8.430 -3.530 1.00 0.00 C ATOM 88 CE LYS A 180 -1.101 -8.358 -2.357 1.00 0.00 C ATOM 89 NZ LYS A 180 -0.393 -8.720 -1.098 1.00 0.00 N ATOM 0 H LYS A 180 3.297 -6.817 -6.642 1.00 0.00 H new ATOM 0 HA LYS A 180 1.954 -5.116 -4.887 1.00 0.00 H new ATOM 0 HB2 LYS A 180 1.201 -7.404 -5.648 1.00 0.00 H new ATOM 0 HB3 LYS A 180 2.411 -8.137 -4.615 1.00 0.00 H new ATOM 0 HG2 LYS A 180 1.351 -7.137 -2.601 1.00 0.00 H new ATOM 0 HG3 LYS A 180 0.190 -6.287 -3.602 1.00 0.00 H new ATOM 0 HD2 LYS A 180 -0.666 -8.491 -4.470 1.00 0.00 H new ATOM 0 HD3 LYS A 180 0.486 -9.334 -3.453 1.00 0.00 H new ATOM 0 HE2 LYS A 180 -1.517 -7.354 -2.278 1.00 0.00 H new ATOM 0 HE3 LYS A 180 -1.937 -9.037 -2.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 -0.856 -9.543 -0.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 0.598 -8.953 -1.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 -0.425 -7.917 -0.438 1.00 0.00 H new ATOM 103 N GLN A 181 4.260 -6.840 -3.236 1.00 0.00 N ATOM 104 CA GLN A 181 5.081 -6.785 -1.987 1.00 0.00 C ATOM 105 C GLN A 181 5.967 -5.544 -2.004 1.00 0.00 C ATOM 106 O GLN A 181 6.089 -4.836 -1.024 1.00 0.00 O ATOM 107 CB GLN A 181 5.942 -8.046 -1.888 1.00 0.00 C ATOM 108 CG GLN A 181 6.631 -8.096 -0.522 1.00 0.00 C ATOM 109 CD GLN A 181 5.592 -8.387 0.562 1.00 0.00 C ATOM 110 OE1 GLN A 181 5.069 -9.480 0.642 1.00 0.00 O ATOM 111 NE2 GLN A 181 5.271 -7.445 1.407 1.00 0.00 N ATOM 0 H GLN A 181 4.404 -7.668 -3.814 1.00 0.00 H new ATOM 0 HA GLN A 181 4.422 -6.733 -1.121 1.00 0.00 H new ATOM 0 HB2 GLN A 181 5.323 -8.932 -2.026 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.688 -8.052 -2.683 1.00 0.00 H new ATOM 0 HG2 GLN A 181 7.401 -8.867 -0.519 1.00 0.00 H new ATOM 0 HG3 GLN A 181 7.129 -7.148 -0.319 1.00 0.00 H new ATOM 0 HE21 GLN A 181 5.711 -6.527 1.339 1.00 0.00 H new ATOM 0 HE22 GLN A 181 4.580 -7.627 2.135 1.00 0.00 H new ATOM 120 N HIS A 182 6.583 -5.275 -3.111 1.00 0.00 N ATOM 121 CA HIS A 182 7.457 -4.084 -3.213 1.00 0.00 C ATOM 122 C HIS A 182 6.604 -2.820 -3.119 1.00 0.00 C ATOM 123 O HIS A 182 7.001 -1.825 -2.545 1.00 0.00 O ATOM 124 CB HIS A 182 8.160 -4.144 -4.560 1.00 0.00 C ATOM 125 CG HIS A 182 9.098 -2.990 -4.712 1.00 0.00 C ATOM 126 ND1 HIS A 182 9.850 -2.490 -3.662 1.00 0.00 N ATOM 127 CD2 HIS A 182 9.431 -2.246 -5.807 1.00 0.00 C ATOM 128 CE1 HIS A 182 10.597 -1.485 -4.148 1.00 0.00 C ATOM 129 NE2 HIS A 182 10.379 -1.293 -5.454 1.00 0.00 N ATOM 0 H HIS A 182 6.518 -5.836 -3.961 1.00 0.00 H new ATOM 0 HA HIS A 182 8.190 -4.066 -2.406 1.00 0.00 H new ATOM 0 HB2 HIS A 182 8.709 -5.081 -4.649 1.00 0.00 H new ATOM 0 HB3 HIS A 182 7.423 -4.129 -5.363 1.00 0.00 H new ATOM 0 HD2 HIS A 182 9.020 -2.378 -6.797 1.00 0.00 H new ATOM 0 HE1 HIS A 182 11.289 -0.903 -3.557 1.00 0.00 H new ATOM 0 HE2 HIS A 182 10.814 -0.597 -6.060 1.00 0.00 H new ATOM 137 N VAL A 183 5.433 -2.858 -3.688 1.00 0.00 N ATOM 138 CA VAL A 183 4.538 -1.676 -3.651 1.00 0.00 C ATOM 139 C VAL A 183 4.061 -1.444 -2.222 1.00 0.00 C ATOM 140 O VAL A 183 3.942 -0.319 -1.778 1.00 0.00 O ATOM 141 CB VAL A 183 3.340 -1.926 -4.583 1.00 0.00 C ATOM 142 CG1 VAL A 183 2.238 -0.888 -4.318 1.00 0.00 C ATOM 143 CG2 VAL A 183 3.806 -1.822 -6.055 1.00 0.00 C ATOM 0 H VAL A 183 5.056 -3.667 -4.182 1.00 0.00 H new ATOM 0 HA VAL A 183 5.074 -0.789 -3.988 1.00 0.00 H new ATOM 0 HB VAL A 183 2.941 -2.922 -4.393 1.00 0.00 H new ATOM 0 HG11 VAL A 183 1.395 -1.074 -4.983 1.00 0.00 H new ATOM 0 HG12 VAL A 183 1.907 -0.965 -3.282 1.00 0.00 H new ATOM 0 HG13 VAL A 183 2.629 0.113 -4.500 1.00 0.00 H new ATOM 0 HG21 VAL A 183 2.959 -1.999 -6.718 1.00 0.00 H new ATOM 0 HG22 VAL A 183 4.210 -0.826 -6.239 1.00 0.00 H new ATOM 0 HG23 VAL A 183 4.578 -2.568 -6.246 1.00 0.00 H new ATOM 153 N LEU A 184 3.781 -2.487 -1.496 1.00 0.00 N ATOM 154 CA LEU A 184 3.310 -2.285 -0.105 1.00 0.00 C ATOM 155 C LEU A 184 4.377 -1.527 0.672 1.00 0.00 C ATOM 156 O LEU A 184 4.079 -0.634 1.438 1.00 0.00 O ATOM 157 CB LEU A 184 3.047 -3.633 0.553 1.00 0.00 C ATOM 158 CG LEU A 184 1.793 -4.265 -0.063 1.00 0.00 C ATOM 159 CD1 LEU A 184 1.669 -5.709 0.426 1.00 0.00 C ATOM 160 CD2 LEU A 184 0.534 -3.457 0.329 1.00 0.00 C ATOM 0 H LEU A 184 3.857 -3.457 -1.802 1.00 0.00 H new ATOM 0 HA LEU A 184 2.383 -1.712 -0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 184 3.905 -4.291 0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 184 2.913 -3.506 1.627 1.00 0.00 H new ATOM 0 HG LEU A 184 1.879 -4.254 -1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 184 0.779 -6.165 -0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 184 2.551 -6.273 0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 184 1.589 -5.719 1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -0.348 -3.918 -0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 184 0.430 -3.448 1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.631 -2.434 -0.034 1.00 0.00 H new ATOM 172 N ASP A 185 5.623 -1.850 0.464 1.00 0.00 N ATOM 173 CA ASP A 185 6.691 -1.112 1.188 1.00 0.00 C ATOM 174 C ASP A 185 6.563 0.372 0.868 1.00 0.00 C ATOM 175 O ASP A 185 6.716 1.218 1.725 1.00 0.00 O ATOM 176 CB ASP A 185 8.071 -1.615 0.748 1.00 0.00 C ATOM 177 CG ASP A 185 8.316 -3.013 1.317 1.00 0.00 C ATOM 178 OD1 ASP A 185 7.690 -3.345 2.312 1.00 0.00 O ATOM 179 OD2 ASP A 185 9.130 -3.726 0.755 1.00 0.00 O ATOM 0 H ASP A 185 5.944 -2.584 -0.168 1.00 0.00 H new ATOM 0 HA ASP A 185 6.585 -1.275 2.260 1.00 0.00 H new ATOM 0 HB2 ASP A 185 8.130 -1.639 -0.340 1.00 0.00 H new ATOM 0 HB3 ASP A 185 8.845 -0.930 1.094 1.00 0.00 H new ATOM 184 N MET A 186 6.274 0.697 -0.360 1.00 0.00 N ATOM 185 CA MET A 186 6.125 2.128 -0.733 1.00 0.00 C ATOM 186 C MET A 186 4.956 2.730 0.039 1.00 0.00 C ATOM 187 O MET A 186 4.975 3.884 0.403 1.00 0.00 O ATOM 188 CB MET A 186 5.858 2.245 -2.238 1.00 0.00 C ATOM 189 CG MET A 186 7.049 1.677 -3.007 1.00 0.00 C ATOM 190 SD MET A 186 8.505 2.705 -2.700 1.00 0.00 S ATOM 191 CE MET A 186 9.586 1.941 -3.927 1.00 0.00 C ATOM 0 H MET A 186 6.135 0.032 -1.121 1.00 0.00 H new ATOM 0 HA MET A 186 7.042 2.664 -0.488 1.00 0.00 H new ATOM 0 HB2 MET A 186 4.949 1.704 -2.501 1.00 0.00 H new ATOM 0 HB3 MET A 186 5.698 3.288 -2.511 1.00 0.00 H new ATOM 0 HG2 MET A 186 7.242 0.651 -2.695 1.00 0.00 H new ATOM 0 HG3 MET A 186 6.828 1.649 -4.074 1.00 0.00 H new ATOM 0 HE1 MET A 186 10.563 1.751 -3.483 1.00 0.00 H new ATOM 0 HE2 MET A 186 9.150 1.000 -4.261 1.00 0.00 H new ATOM 0 HE3 MET A 186 9.699 2.611 -4.780 1.00 0.00 H new ATOM 201 N LEU A 187 3.932 1.965 0.285 1.00 0.00 N ATOM 202 CA LEU A 187 2.775 2.521 1.034 1.00 0.00 C ATOM 203 C LEU A 187 3.189 2.803 2.471 1.00 0.00 C ATOM 204 O LEU A 187 2.925 3.866 3.002 1.00 0.00 O ATOM 205 CB LEU A 187 1.622 1.520 1.036 1.00 0.00 C ATOM 206 CG LEU A 187 1.208 1.172 -0.395 1.00 0.00 C ATOM 207 CD1 LEU A 187 0.001 0.235 -0.338 1.00 0.00 C ATOM 208 CD2 LEU A 187 0.837 2.446 -1.173 1.00 0.00 C ATOM 0 H LEU A 187 3.846 0.989 0.003 1.00 0.00 H new ATOM 0 HA LEU A 187 2.452 3.444 0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 187 1.920 0.614 1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 187 0.772 1.938 1.575 1.00 0.00 H new ATOM 0 HG LEU A 187 2.040 0.687 -0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -0.307 -0.023 -1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 187 0.270 -0.673 0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -0.822 0.732 0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 187 0.545 2.180 -2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 187 0.006 2.947 -0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 187 1.697 3.115 -1.206 1.00 0.00 H new ATOM 220 N PHE A 188 3.840 1.872 3.110 1.00 0.00 N ATOM 221 CA PHE A 188 4.256 2.112 4.515 1.00 0.00 C ATOM 222 C PHE A 188 5.125 3.366 4.574 1.00 0.00 C ATOM 223 O PHE A 188 4.994 4.179 5.466 1.00 0.00 O ATOM 224 CB PHE A 188 5.029 0.902 5.046 1.00 0.00 C ATOM 225 CG PHE A 188 4.058 -0.215 5.369 1.00 0.00 C ATOM 226 CD1 PHE A 188 3.300 -0.152 6.541 1.00 0.00 C ATOM 227 CD2 PHE A 188 3.912 -1.304 4.499 1.00 0.00 C ATOM 228 CE1 PHE A 188 2.399 -1.176 6.849 1.00 0.00 C ATOM 229 CE2 PHE A 188 3.007 -2.329 4.805 1.00 0.00 C ATOM 230 CZ PHE A 188 2.252 -2.264 5.982 1.00 0.00 C ATOM 0 H PHE A 188 4.099 0.964 2.723 1.00 0.00 H new ATOM 0 HA PHE A 188 3.374 2.257 5.138 1.00 0.00 H new ATOM 0 HB2 PHE A 188 5.753 0.566 4.304 1.00 0.00 H new ATOM 0 HB3 PHE A 188 5.591 1.179 5.938 1.00 0.00 H new ATOM 0 HD1 PHE A 188 3.410 0.689 7.210 1.00 0.00 H new ATOM 0 HD2 PHE A 188 4.497 -1.353 3.593 1.00 0.00 H new ATOM 0 HE1 PHE A 188 1.816 -1.127 7.757 1.00 0.00 H new ATOM 0 HE2 PHE A 188 2.892 -3.168 4.134 1.00 0.00 H new ATOM 0 HZ PHE A 188 1.556 -3.054 6.221 1.00 0.00 H new ATOM 240 N SER A 189 5.991 3.546 3.621 1.00 0.00 N ATOM 241 CA SER A 189 6.843 4.767 3.621 1.00 0.00 C ATOM 242 C SER A 189 5.943 5.993 3.487 1.00 0.00 C ATOM 243 O SER A 189 6.101 6.983 4.181 1.00 0.00 O ATOM 244 CB SER A 189 7.813 4.702 2.441 1.00 0.00 C ATOM 245 OG SER A 189 7.072 4.634 1.231 1.00 0.00 O ATOM 0 H SER A 189 6.147 2.904 2.844 1.00 0.00 H new ATOM 0 HA SER A 189 7.412 4.831 4.549 1.00 0.00 H new ATOM 0 HB2 SER A 189 8.459 5.580 2.437 1.00 0.00 H new ATOM 0 HB3 SER A 189 8.460 3.830 2.535 1.00 0.00 H new ATOM 0 HG SER A 189 6.186 4.256 1.411 1.00 0.00 H new ATOM 251 N ALA A 190 4.980 5.926 2.612 1.00 0.00 N ATOM 252 CA ALA A 190 4.051 7.069 2.451 1.00 0.00 C ATOM 253 C ALA A 190 3.220 7.186 3.720 1.00 0.00 C ATOM 254 O ALA A 190 3.051 8.252 4.266 1.00 0.00 O ATOM 255 CB ALA A 190 3.135 6.825 1.250 1.00 0.00 C ATOM 0 H ALA A 190 4.799 5.128 2.003 1.00 0.00 H new ATOM 0 HA ALA A 190 4.609 7.990 2.281 1.00 0.00 H new ATOM 0 HB1 ALA A 190 2.453 7.668 1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 190 3.738 6.720 0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 190 2.560 5.913 1.410 1.00 0.00 H new ATOM 261 N PHE A 191 2.711 6.083 4.203 1.00 0.00 N ATOM 262 CA PHE A 191 1.893 6.131 5.447 1.00 0.00 C ATOM 263 C PHE A 191 2.780 6.482 6.637 1.00 0.00 C ATOM 264 O PHE A 191 2.306 6.908 7.670 1.00 0.00 O ATOM 265 CB PHE A 191 1.179 4.787 5.670 1.00 0.00 C ATOM 266 CG PHE A 191 -0.050 4.736 4.795 1.00 0.00 C ATOM 267 CD1 PHE A 191 -1.140 5.554 5.101 1.00 0.00 C ATOM 268 CD2 PHE A 191 -0.095 3.898 3.676 1.00 0.00 C ATOM 269 CE1 PHE A 191 -2.280 5.537 4.294 1.00 0.00 C ATOM 270 CE2 PHE A 191 -1.234 3.881 2.859 1.00 0.00 C ATOM 271 CZ PHE A 191 -2.328 4.701 3.169 1.00 0.00 C ATOM 0 H PHE A 191 2.826 5.157 3.792 1.00 0.00 H new ATOM 0 HA PHE A 191 1.131 6.904 5.344 1.00 0.00 H new ATOM 0 HB2 PHE A 191 1.848 3.960 5.430 1.00 0.00 H new ATOM 0 HB3 PHE A 191 0.901 4.677 6.718 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -1.101 6.202 5.964 1.00 0.00 H new ATOM 0 HD2 PHE A 191 0.747 3.264 3.442 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -3.123 6.167 4.536 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -1.269 3.237 1.992 1.00 0.00 H new ATOM 0 HZ PHE A 191 -3.207 4.689 2.542 1.00 0.00 H new ATOM 281 N GLU A 192 4.066 6.328 6.499 1.00 0.00 N ATOM 282 CA GLU A 192 4.970 6.679 7.626 1.00 0.00 C ATOM 283 C GLU A 192 4.989 8.204 7.797 1.00 0.00 C ATOM 284 O GLU A 192 5.176 8.713 8.883 1.00 0.00 O ATOM 285 CB GLU A 192 6.386 6.171 7.326 1.00 0.00 C ATOM 286 CG GLU A 192 7.294 6.439 8.529 1.00 0.00 C ATOM 287 CD GLU A 192 8.651 5.757 8.320 1.00 0.00 C ATOM 288 OE1 GLU A 192 8.758 4.961 7.403 1.00 0.00 O ATOM 289 OE2 GLU A 192 9.558 6.044 9.083 1.00 0.00 O ATOM 0 H GLU A 192 4.528 5.977 5.660 1.00 0.00 H new ATOM 0 HA GLU A 192 4.613 6.214 8.545 1.00 0.00 H new ATOM 0 HB2 GLU A 192 6.361 5.104 7.107 1.00 0.00 H new ATOM 0 HB3 GLU A 192 6.782 6.669 6.441 1.00 0.00 H new ATOM 0 HG2 GLU A 192 7.433 7.512 8.659 1.00 0.00 H new ATOM 0 HG3 GLU A 192 6.826 6.065 9.440 1.00 0.00 H new ATOM 296 N LYS A 193 4.808 8.939 6.727 1.00 0.00 N ATOM 297 CA LYS A 193 4.832 10.431 6.836 1.00 0.00 C ATOM 298 C LYS A 193 3.443 10.966 7.200 1.00 0.00 C ATOM 299 O LYS A 193 3.314 11.995 7.837 1.00 0.00 O ATOM 300 CB LYS A 193 5.258 11.018 5.491 1.00 0.00 C ATOM 301 CG LYS A 193 6.725 10.666 5.231 1.00 0.00 C ATOM 302 CD LYS A 193 7.155 11.203 3.863 1.00 0.00 C ATOM 303 CE LYS A 193 8.584 10.742 3.567 1.00 0.00 C ATOM 304 NZ LYS A 193 9.471 11.137 4.695 1.00 0.00 N ATOM 0 H LYS A 193 4.646 8.573 5.789 1.00 0.00 H new ATOM 0 HA LYS A 193 5.535 10.719 7.617 1.00 0.00 H new ATOM 0 HB2 LYS A 193 4.630 10.623 4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 193 5.126 12.100 5.495 1.00 0.00 H new ATOM 0 HG2 LYS A 193 7.354 11.092 6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 193 6.860 9.585 5.266 1.00 0.00 H new ATOM 0 HD2 LYS A 193 6.477 10.844 3.089 1.00 0.00 H new ATOM 0 HD3 LYS A 193 7.102 12.292 3.854 1.00 0.00 H new ATOM 0 HE2 LYS A 193 8.609 9.661 3.431 1.00 0.00 H new ATOM 0 HE3 LYS A 193 8.937 11.188 2.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 193 10.458 11.159 4.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 193 9.199 12.081 5.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 193 9.377 10.448 5.468 1.00 0.00 H new ATOM 318 N HIS A 194 2.401 10.285 6.814 1.00 0.00 N ATOM 319 CA HIS A 194 1.030 10.766 7.148 1.00 0.00 C ATOM 320 C HIS A 194 0.075 9.572 7.266 1.00 0.00 C ATOM 321 O HIS A 194 0.200 8.586 6.580 1.00 0.00 O ATOM 322 CB HIS A 194 0.545 11.721 6.052 1.00 0.00 C ATOM 323 CG HIS A 194 1.240 13.043 6.192 1.00 0.00 C ATOM 324 ND1 HIS A 194 2.055 13.561 5.198 1.00 0.00 N ATOM 325 CD2 HIS A 194 1.247 13.965 7.203 1.00 0.00 C ATOM 326 CE1 HIS A 194 2.512 14.752 5.631 1.00 0.00 C ATOM 327 NE2 HIS A 194 2.050 15.048 6.848 1.00 0.00 N ATOM 0 H HIS A 194 2.438 9.416 6.282 1.00 0.00 H new ATOM 0 HA HIS A 194 1.052 11.294 8.101 1.00 0.00 H new ATOM 0 HB2 HIS A 194 0.747 11.295 5.069 1.00 0.00 H new ATOM 0 HB3 HIS A 194 -0.534 11.857 6.125 1.00 0.00 H new ATOM 0 HD2 HIS A 194 0.711 13.868 8.136 1.00 0.00 H new ATOM 0 HE1 HIS A 194 3.172 15.390 5.062 1.00 0.00 H new ATOM 0 HE2 HIS A 194 2.243 15.885 7.399 1.00 0.00 H new ATOM 335 N GLN A 195 -0.869 9.649 8.156 1.00 0.00 N ATOM 336 CA GLN A 195 -1.822 8.519 8.339 1.00 0.00 C ATOM 337 C GLN A 195 -2.742 8.367 7.118 1.00 0.00 C ATOM 338 O GLN A 195 -3.140 7.274 6.778 1.00 0.00 O ATOM 339 CB GLN A 195 -2.665 8.774 9.599 1.00 0.00 C ATOM 340 CG GLN A 195 -3.625 7.600 9.859 1.00 0.00 C ATOM 341 CD GLN A 195 -2.841 6.371 10.319 1.00 0.00 C ATOM 342 OE1 GLN A 195 -2.421 6.293 11.457 1.00 0.00 O ATOM 343 NE2 GLN A 195 -2.626 5.399 9.476 1.00 0.00 N ATOM 0 H GLN A 195 -1.024 10.449 8.769 1.00 0.00 H new ATOM 0 HA GLN A 195 -1.254 7.595 8.449 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -2.010 8.912 10.459 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -3.234 9.696 9.481 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -4.356 7.879 10.618 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -4.181 7.367 8.951 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -2.979 5.465 8.521 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -2.105 4.573 9.772 1.00 0.00 H new ATOM 352 N TYR A 196 -3.137 9.454 6.497 1.00 0.00 N ATOM 353 CA TYR A 196 -4.102 9.367 5.342 1.00 0.00 C ATOM 354 C TYR A 196 -3.467 9.735 3.988 1.00 0.00 C ATOM 355 O TYR A 196 -2.595 10.573 3.893 1.00 0.00 O ATOM 356 CB TYR A 196 -5.237 10.348 5.611 1.00 0.00 C ATOM 357 CG TYR A 196 -6.005 9.930 6.842 1.00 0.00 C ATOM 358 CD1 TYR A 196 -7.031 8.980 6.749 1.00 0.00 C ATOM 359 CD2 TYR A 196 -5.693 10.502 8.080 1.00 0.00 C ATOM 360 CE1 TYR A 196 -7.744 8.607 7.894 1.00 0.00 C ATOM 361 CE2 TYR A 196 -6.407 10.130 9.224 1.00 0.00 C ATOM 362 CZ TYR A 196 -7.433 9.182 9.133 1.00 0.00 C ATOM 363 OH TYR A 196 -8.138 8.813 10.260 1.00 0.00 O ATOM 0 H TYR A 196 -2.836 10.399 6.736 1.00 0.00 H new ATOM 0 HA TYR A 196 -4.440 8.333 5.272 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -4.835 11.352 5.747 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -5.906 10.386 4.751 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -7.271 8.536 5.794 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -4.900 11.232 8.153 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -8.535 7.875 7.822 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -6.166 10.575 10.178 1.00 0.00 H new ATOM 0 HH TYR A 196 -7.796 9.305 11.036 1.00 0.00 H new ATOM 373 N TYR A 197 -3.959 9.115 2.934 1.00 0.00 N ATOM 374 CA TYR A 197 -3.469 9.406 1.545 1.00 0.00 C ATOM 375 C TYR A 197 -4.609 9.209 0.534 1.00 0.00 C ATOM 376 O TYR A 197 -5.289 8.205 0.551 1.00 0.00 O ATOM 377 CB TYR A 197 -2.301 8.470 1.181 1.00 0.00 C ATOM 378 CG TYR A 197 -1.010 9.039 1.702 1.00 0.00 C ATOM 379 CD1 TYR A 197 -0.585 8.758 2.996 1.00 0.00 C ATOM 380 CD2 TYR A 197 -0.244 9.863 0.870 1.00 0.00 C ATOM 381 CE1 TYR A 197 0.609 9.302 3.468 1.00 0.00 C ATOM 382 CE2 TYR A 197 0.952 10.407 1.338 1.00 0.00 C ATOM 383 CZ TYR A 197 1.382 10.127 2.640 1.00 0.00 C ATOM 384 OH TYR A 197 2.562 10.667 3.105 1.00 0.00 O ATOM 0 H TYR A 197 -4.692 8.408 2.981 1.00 0.00 H new ATOM 0 HA TYR A 197 -3.124 10.439 1.511 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.470 7.480 1.605 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -2.245 8.348 0.099 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -1.178 8.120 3.634 1.00 0.00 H new ATOM 0 HD2 TYR A 197 -0.579 10.078 -0.134 1.00 0.00 H new ATOM 0 HE1 TYR A 197 0.939 9.087 4.474 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.545 11.043 0.697 1.00 0.00 H new ATOM 0 HH TYR A 197 3.084 9.972 3.558 1.00 0.00 H new ATOM 394 N ASN A 198 -4.804 10.146 -0.369 1.00 0.00 N ATOM 395 CA ASN A 198 -5.885 9.977 -1.394 1.00 0.00 C ATOM 396 C ASN A 198 -5.304 9.237 -2.611 1.00 0.00 C ATOM 397 O ASN A 198 -4.102 9.110 -2.755 1.00 0.00 O ATOM 398 CB ASN A 198 -6.451 11.342 -1.811 1.00 0.00 C ATOM 399 CG ASN A 198 -5.450 12.117 -2.664 1.00 0.00 C ATOM 400 OD1 ASN A 198 -4.261 11.893 -2.593 1.00 0.00 O ATOM 401 ND2 ASN A 198 -5.902 13.036 -3.473 1.00 0.00 N ATOM 0 H ASN A 198 -4.267 11.010 -0.439 1.00 0.00 H new ATOM 0 HA ASN A 198 -6.702 9.394 -0.970 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -7.376 11.200 -2.370 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -6.701 11.922 -0.923 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -5.253 13.571 -4.051 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -6.904 13.219 -3.528 1.00 0.00 H new ATOM 408 N LEU A 199 -6.142 8.735 -3.481 1.00 0.00 N ATOM 409 CA LEU A 199 -5.636 7.990 -4.676 1.00 0.00 C ATOM 410 C LEU A 199 -4.676 8.866 -5.487 1.00 0.00 C ATOM 411 O LEU A 199 -3.657 8.409 -5.964 1.00 0.00 O ATOM 412 CB LEU A 199 -6.817 7.619 -5.577 1.00 0.00 C ATOM 413 CG LEU A 199 -7.725 6.601 -4.880 1.00 0.00 C ATOM 414 CD1 LEU A 199 -8.940 6.341 -5.774 1.00 0.00 C ATOM 415 CD2 LEU A 199 -6.968 5.278 -4.635 1.00 0.00 C ATOM 0 H LEU A 199 -7.157 8.808 -3.416 1.00 0.00 H new ATOM 0 HA LEU A 199 -5.115 7.097 -4.331 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.388 8.514 -5.825 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -6.450 7.205 -6.516 1.00 0.00 H new ATOM 0 HG LEU A 199 -8.042 6.998 -3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -9.598 5.618 -5.292 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -9.481 7.274 -5.933 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -8.607 5.946 -6.734 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -7.629 4.567 -4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -6.640 4.864 -5.589 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -6.100 5.467 -4.004 1.00 0.00 H new ATOM 427 N LYS A 200 -5.012 10.113 -5.669 1.00 0.00 N ATOM 428 CA LYS A 200 -4.139 11.015 -6.478 1.00 0.00 C ATOM 429 C LYS A 200 -2.745 11.106 -5.853 1.00 0.00 C ATOM 430 O LYS A 200 -1.743 11.102 -6.541 1.00 0.00 O ATOM 431 CB LYS A 200 -4.776 12.411 -6.550 1.00 0.00 C ATOM 432 CG LYS A 200 -4.035 13.306 -7.583 1.00 0.00 C ATOM 433 CD LYS A 200 -2.999 14.209 -6.883 1.00 0.00 C ATOM 434 CE LYS A 200 -1.945 14.675 -7.899 1.00 0.00 C ATOM 435 NZ LYS A 200 -0.961 15.573 -7.224 1.00 0.00 N ATOM 0 H LYS A 200 -5.854 10.549 -5.293 1.00 0.00 H new ATOM 0 HA LYS A 200 -4.040 10.609 -7.485 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -5.826 12.322 -6.827 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -4.744 12.881 -5.567 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -3.537 12.679 -8.323 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -4.756 13.922 -8.121 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -3.496 15.072 -6.439 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -2.518 13.664 -6.070 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -1.432 13.814 -8.327 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -2.427 15.201 -8.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -0.248 15.887 -7.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -1.456 16.401 -6.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -0.492 15.057 -6.452 1.00 0.00 H new ATOM 449 N ASP A 201 -2.656 11.196 -4.560 1.00 0.00 N ATOM 450 CA ASP A 201 -1.309 11.292 -3.936 1.00 0.00 C ATOM 451 C ASP A 201 -0.589 9.949 -4.098 1.00 0.00 C ATOM 452 O ASP A 201 0.603 9.896 -4.305 1.00 0.00 O ATOM 453 CB ASP A 201 -1.449 11.642 -2.451 1.00 0.00 C ATOM 454 CG ASP A 201 -1.934 13.086 -2.323 1.00 0.00 C ATOM 455 OD1 ASP A 201 -1.995 13.757 -3.338 1.00 0.00 O ATOM 456 OD2 ASP A 201 -2.252 13.492 -1.217 1.00 0.00 O ATOM 0 H ASP A 201 -3.445 11.207 -3.914 1.00 0.00 H new ATOM 0 HA ASP A 201 -0.729 12.075 -4.424 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -2.154 10.964 -1.969 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -0.492 11.520 -1.944 1.00 0.00 H new ATOM 461 N LEU A 202 -1.310 8.866 -4.002 1.00 0.00 N ATOM 462 CA LEU A 202 -0.673 7.523 -4.142 1.00 0.00 C ATOM 463 C LEU A 202 -0.047 7.347 -5.529 1.00 0.00 C ATOM 464 O LEU A 202 1.010 6.767 -5.657 1.00 0.00 O ATOM 465 CB LEU A 202 -1.726 6.424 -3.908 1.00 0.00 C ATOM 466 CG LEU A 202 -2.043 6.301 -2.401 1.00 0.00 C ATOM 467 CD1 LEU A 202 -3.407 5.622 -2.204 1.00 0.00 C ATOM 468 CD2 LEU A 202 -0.959 5.458 -1.695 1.00 0.00 C ATOM 0 H LEU A 202 -2.316 8.852 -3.832 1.00 0.00 H new ATOM 0 HA LEU A 202 0.119 7.443 -3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 202 -2.636 6.658 -4.460 1.00 0.00 H new ATOM 0 HB3 LEU A 202 -1.358 5.471 -4.289 1.00 0.00 H new ATOM 0 HG LEU A 202 -2.064 7.302 -1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 202 -3.622 5.540 -1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 202 -4.183 6.217 -2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 202 -3.385 4.627 -2.648 1.00 0.00 H new ATOM 0 HD21 LEU A 202 -1.194 5.379 -0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 202 -0.929 4.461 -2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.012 5.938 -1.817 1.00 0.00 H new ATOM 480 N VAL A 203 -0.672 7.821 -6.571 1.00 0.00 N ATOM 481 CA VAL A 203 -0.063 7.633 -7.921 1.00 0.00 C ATOM 482 C VAL A 203 1.227 8.439 -8.037 1.00 0.00 C ATOM 483 O VAL A 203 2.184 8.000 -8.644 1.00 0.00 O ATOM 484 CB VAL A 203 -1.030 8.055 -9.022 1.00 0.00 C ATOM 485 CG1 VAL A 203 -2.162 7.041 -9.122 1.00 0.00 C ATOM 486 CG2 VAL A 203 -1.620 9.415 -8.699 1.00 0.00 C ATOM 0 H VAL A 203 -1.561 8.321 -6.551 1.00 0.00 H new ATOM 0 HA VAL A 203 0.161 6.573 -8.042 1.00 0.00 H new ATOM 0 HB VAL A 203 -0.489 8.105 -9.967 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -2.853 7.343 -9.909 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -1.751 6.059 -9.357 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -2.693 6.994 -8.171 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -2.310 9.710 -9.490 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -2.156 9.363 -7.751 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -0.819 10.150 -8.623 1.00 0.00 H new ATOM 496 N ASP A 204 1.266 9.612 -7.471 1.00 0.00 N ATOM 497 CA ASP A 204 2.504 10.429 -7.575 1.00 0.00 C ATOM 498 C ASP A 204 3.652 9.621 -6.982 1.00 0.00 C ATOM 499 O ASP A 204 4.740 9.569 -7.523 1.00 0.00 O ATOM 500 CB ASP A 204 2.318 11.737 -6.802 1.00 0.00 C ATOM 501 CG ASP A 204 3.493 12.671 -7.089 1.00 0.00 C ATOM 502 OD1 ASP A 204 4.365 12.279 -7.848 1.00 0.00 O ATOM 503 OD2 ASP A 204 3.498 13.766 -6.552 1.00 0.00 O ATOM 0 H ASP A 204 0.502 10.037 -6.946 1.00 0.00 H new ATOM 0 HA ASP A 204 2.721 10.672 -8.615 1.00 0.00 H new ATOM 0 HB2 ASP A 204 1.382 12.213 -7.093 1.00 0.00 H new ATOM 0 HB3 ASP A 204 2.254 11.534 -5.733 1.00 0.00 H new ATOM 508 N ILE A 205 3.407 8.967 -5.889 1.00 0.00 N ATOM 509 CA ILE A 205 4.464 8.132 -5.267 1.00 0.00 C ATOM 510 C ILE A 205 4.737 6.922 -6.173 1.00 0.00 C ATOM 511 O ILE A 205 5.818 6.369 -6.174 1.00 0.00 O ATOM 512 CB ILE A 205 3.981 7.670 -3.898 1.00 0.00 C ATOM 513 CG1 ILE A 205 3.575 8.901 -3.086 1.00 0.00 C ATOM 514 CG2 ILE A 205 5.106 6.931 -3.169 1.00 0.00 C ATOM 515 CD1 ILE A 205 3.105 8.465 -1.698 1.00 0.00 C ATOM 0 H ILE A 205 2.514 8.974 -5.395 1.00 0.00 H new ATOM 0 HA ILE A 205 5.385 8.703 -5.148 1.00 0.00 H new ATOM 0 HB ILE A 205 3.133 6.996 -4.015 1.00 0.00 H new ATOM 0 HG12 ILE A 205 4.419 9.586 -2.997 1.00 0.00 H new ATOM 0 HG13 ILE A 205 2.779 9.441 -3.598 1.00 0.00 H new ATOM 0 HG21 ILE A 205 4.753 6.604 -2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 205 5.410 6.063 -3.754 1.00 0.00 H new ATOM 0 HG23 ILE A 205 5.958 7.599 -3.042 1.00 0.00 H new ATOM 0 HD11 ILE A 205 2.816 9.342 -1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 205 2.249 7.797 -1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 205 3.915 7.944 -1.187 1.00 0.00 H new ATOM 527 N THR A 206 3.754 6.500 -6.934 1.00 0.00 N ATOM 528 CA THR A 206 3.937 5.317 -7.830 1.00 0.00 C ATOM 529 C THR A 206 3.093 5.496 -9.098 1.00 0.00 C ATOM 530 O THR A 206 1.887 5.526 -9.048 1.00 0.00 O ATOM 531 CB THR A 206 3.466 4.062 -7.089 1.00 0.00 C ATOM 532 OG1 THR A 206 2.201 4.315 -6.494 1.00 0.00 O ATOM 533 CG2 THR A 206 4.481 3.684 -6.010 1.00 0.00 C ATOM 0 H THR A 206 2.829 6.928 -6.972 1.00 0.00 H new ATOM 0 HA THR A 206 4.988 5.222 -8.105 1.00 0.00 H new ATOM 0 HB THR A 206 3.377 3.236 -7.795 1.00 0.00 H new ATOM 0 HG1 THR A 206 1.642 4.824 -7.118 1.00 0.00 H new ATOM 0 HG21 THR A 206 4.140 2.791 -5.487 1.00 0.00 H new ATOM 0 HG22 THR A 206 5.448 3.487 -6.473 1.00 0.00 H new ATOM 0 HG23 THR A 206 4.580 4.505 -5.300 1.00 0.00 H new ATOM 541 N LYS A 207 3.719 5.616 -10.234 1.00 0.00 N ATOM 542 CA LYS A 207 2.939 5.805 -11.495 1.00 0.00 C ATOM 543 C LYS A 207 2.355 4.474 -11.962 1.00 0.00 C ATOM 544 O LYS A 207 2.084 4.284 -13.131 1.00 0.00 O ATOM 545 CB LYS A 207 3.842 6.373 -12.588 1.00 0.00 C ATOM 546 CG LYS A 207 4.323 7.758 -12.163 1.00 0.00 C ATOM 547 CD LYS A 207 5.167 8.378 -13.276 1.00 0.00 C ATOM 548 CE LYS A 207 5.564 9.796 -12.866 1.00 0.00 C ATOM 549 NZ LYS A 207 6.410 10.404 -13.930 1.00 0.00 N ATOM 0 H LYS A 207 4.732 5.592 -10.348 1.00 0.00 H new ATOM 0 HA LYS A 207 2.125 6.503 -11.297 1.00 0.00 H new ATOM 0 HB2 LYS A 207 4.693 5.713 -12.754 1.00 0.00 H new ATOM 0 HB3 LYS A 207 3.299 6.436 -13.531 1.00 0.00 H new ATOM 0 HG2 LYS A 207 3.468 8.398 -11.943 1.00 0.00 H new ATOM 0 HG3 LYS A 207 4.910 7.684 -11.248 1.00 0.00 H new ATOM 0 HD2 LYS A 207 6.057 7.774 -13.455 1.00 0.00 H new ATOM 0 HD3 LYS A 207 4.604 8.399 -14.209 1.00 0.00 H new ATOM 0 HE2 LYS A 207 4.672 10.402 -12.705 1.00 0.00 H new ATOM 0 HE3 LYS A 207 6.109 9.774 -11.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 6.680 11.369 -13.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 7.267 9.830 -14.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 5.875 10.439 -14.821 1.00 0.00 H new ATOM 563 N GLN A 208 2.148 3.552 -11.065 1.00 0.00 N ATOM 564 CA GLN A 208 1.571 2.242 -11.473 1.00 0.00 C ATOM 565 C GLN A 208 0.055 2.410 -11.629 1.00 0.00 C ATOM 566 O GLN A 208 -0.544 3.247 -10.978 1.00 0.00 O ATOM 567 CB GLN A 208 1.859 1.203 -10.387 1.00 0.00 C ATOM 568 CG GLN A 208 3.369 0.963 -10.307 1.00 0.00 C ATOM 569 CD GLN A 208 3.721 0.314 -8.969 1.00 0.00 C ATOM 570 OE1 GLN A 208 3.467 -0.856 -8.758 1.00 0.00 O ATOM 571 NE2 GLN A 208 4.306 1.032 -8.046 1.00 0.00 N ATOM 0 H GLN A 208 2.353 3.648 -10.070 1.00 0.00 H new ATOM 0 HA GLN A 208 2.011 1.911 -12.413 1.00 0.00 H new ATOM 0 HB2 GLN A 208 1.483 1.551 -9.425 1.00 0.00 H new ATOM 0 HB3 GLN A 208 1.342 0.270 -10.613 1.00 0.00 H new ATOM 0 HG2 GLN A 208 3.688 0.321 -11.128 1.00 0.00 H new ATOM 0 HG3 GLN A 208 3.903 1.907 -10.415 1.00 0.00 H new ATOM 0 HE21 GLN A 208 4.519 2.014 -8.222 1.00 0.00 H new ATOM 0 HE22 GLN A 208 4.549 0.610 -7.150 1.00 0.00 H new ATOM 580 N PRO A 209 -0.578 1.637 -12.486 1.00 0.00 N ATOM 581 CA PRO A 209 -2.053 1.745 -12.701 1.00 0.00 C ATOM 582 C PRO A 209 -2.830 1.827 -11.377 1.00 0.00 C ATOM 583 O PRO A 209 -2.626 1.036 -10.479 1.00 0.00 O ATOM 584 CB PRO A 209 -2.405 0.457 -13.460 1.00 0.00 C ATOM 585 CG PRO A 209 -1.153 0.074 -14.183 1.00 0.00 C ATOM 586 CD PRO A 209 0.021 0.585 -13.335 1.00 0.00 C ATOM 0 HA PRO A 209 -2.320 2.653 -13.242 1.00 0.00 H new ATOM 0 HB2 PRO A 209 -2.721 -0.330 -12.775 1.00 0.00 H new ATOM 0 HB3 PRO A 209 -3.227 0.622 -14.156 1.00 0.00 H new ATOM 0 HG2 PRO A 209 -1.096 -1.007 -14.312 1.00 0.00 H new ATOM 0 HG3 PRO A 209 -1.131 0.515 -15.180 1.00 0.00 H new ATOM 0 HD2 PRO A 209 0.455 -0.213 -12.733 1.00 0.00 H new ATOM 0 HD3 PRO A 209 0.820 0.984 -13.960 1.00 0.00 H new ATOM 594 N VAL A 210 -3.725 2.772 -11.258 1.00 0.00 N ATOM 595 CA VAL A 210 -4.519 2.886 -10.005 1.00 0.00 C ATOM 596 C VAL A 210 -5.281 1.587 -9.786 1.00 0.00 C ATOM 597 O VAL A 210 -5.319 1.045 -8.702 1.00 0.00 O ATOM 598 CB VAL A 210 -5.512 4.043 -10.126 1.00 0.00 C ATOM 599 CG1 VAL A 210 -4.747 5.357 -10.246 1.00 0.00 C ATOM 600 CG2 VAL A 210 -6.388 3.851 -11.370 1.00 0.00 C ATOM 0 H VAL A 210 -3.938 3.467 -11.974 1.00 0.00 H new ATOM 0 HA VAL A 210 -3.852 3.074 -9.164 1.00 0.00 H new ATOM 0 HB VAL A 210 -6.146 4.065 -9.239 1.00 0.00 H new ATOM 0 HG11 VAL A 210 -5.453 6.183 -10.332 1.00 0.00 H new ATOM 0 HG12 VAL A 210 -4.128 5.500 -9.360 1.00 0.00 H new ATOM 0 HG13 VAL A 210 -4.112 5.329 -11.131 1.00 0.00 H new ATOM 0 HG21 VAL A 210 -7.093 4.679 -11.450 1.00 0.00 H new ATOM 0 HG22 VAL A 210 -5.757 3.824 -12.259 1.00 0.00 H new ATOM 0 HG23 VAL A 210 -6.937 2.913 -11.287 1.00 0.00 H new ATOM 610 N VAL A 211 -5.884 1.084 -10.822 1.00 0.00 N ATOM 611 CA VAL A 211 -6.654 -0.177 -10.707 1.00 0.00 C ATOM 612 C VAL A 211 -5.789 -1.232 -10.035 1.00 0.00 C ATOM 613 O VAL A 211 -6.265 -2.046 -9.268 1.00 0.00 O ATOM 614 CB VAL A 211 -7.045 -0.657 -12.105 1.00 0.00 C ATOM 615 CG1 VAL A 211 -5.786 -0.811 -12.966 1.00 0.00 C ATOM 616 CG2 VAL A 211 -7.756 -2.009 -11.992 1.00 0.00 C ATOM 0 H VAL A 211 -5.875 1.499 -11.754 1.00 0.00 H new ATOM 0 HA VAL A 211 -7.552 -0.008 -10.113 1.00 0.00 H new ATOM 0 HB VAL A 211 -7.711 0.071 -12.569 1.00 0.00 H new ATOM 0 HG11 VAL A 211 -6.066 -1.153 -13.962 1.00 0.00 H new ATOM 0 HG12 VAL A 211 -5.277 0.150 -13.042 1.00 0.00 H new ATOM 0 HG13 VAL A 211 -5.118 -1.540 -12.507 1.00 0.00 H new ATOM 0 HG21 VAL A 211 -8.037 -2.356 -12.986 1.00 0.00 H new ATOM 0 HG22 VAL A 211 -7.087 -2.735 -11.530 1.00 0.00 H new ATOM 0 HG23 VAL A 211 -8.651 -1.899 -11.379 1.00 0.00 H new ATOM 626 N TYR A 212 -4.515 -1.221 -10.305 1.00 0.00 N ATOM 627 CA TYR A 212 -3.628 -2.224 -9.661 1.00 0.00 C ATOM 628 C TYR A 212 -3.413 -1.816 -8.198 1.00 0.00 C ATOM 629 O TYR A 212 -3.508 -2.624 -7.294 1.00 0.00 O ATOM 630 CB TYR A 212 -2.293 -2.281 -10.409 1.00 0.00 C ATOM 631 CG TYR A 212 -1.412 -3.339 -9.788 1.00 0.00 C ATOM 632 CD1 TYR A 212 -1.623 -4.695 -10.081 1.00 0.00 C ATOM 633 CD2 TYR A 212 -0.387 -2.963 -8.916 1.00 0.00 C ATOM 634 CE1 TYR A 212 -0.807 -5.673 -9.494 1.00 0.00 C ATOM 635 CE2 TYR A 212 0.428 -3.936 -8.332 1.00 0.00 C ATOM 636 CZ TYR A 212 0.218 -5.292 -8.620 1.00 0.00 C ATOM 637 OH TYR A 212 1.021 -6.250 -8.038 1.00 0.00 O ATOM 0 H TYR A 212 -4.054 -0.567 -10.938 1.00 0.00 H new ATOM 0 HA TYR A 212 -4.083 -3.214 -9.696 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -2.463 -2.507 -11.462 1.00 0.00 H new ATOM 0 HB3 TYR A 212 -1.799 -1.310 -10.367 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -2.413 -4.985 -10.758 1.00 0.00 H new ATOM 0 HD2 TYR A 212 -0.225 -1.919 -8.693 1.00 0.00 H new ATOM 0 HE1 TYR A 212 -0.969 -6.718 -9.716 1.00 0.00 H new ATOM 0 HE2 TYR A 212 1.220 -3.644 -7.659 1.00 0.00 H new ATOM 0 HH TYR A 212 1.710 -6.531 -8.676 1.00 0.00 H new ATOM 647 N LEU A 213 -3.150 -0.555 -7.962 1.00 0.00 N ATOM 648 CA LEU A 213 -2.954 -0.068 -6.566 1.00 0.00 C ATOM 649 C LEU A 213 -4.262 -0.226 -5.785 1.00 0.00 C ATOM 650 O LEU A 213 -4.273 -0.629 -4.638 1.00 0.00 O ATOM 651 CB LEU A 213 -2.566 1.415 -6.603 1.00 0.00 C ATOM 652 CG LEU A 213 -1.200 1.586 -7.279 1.00 0.00 C ATOM 653 CD1 LEU A 213 -0.899 3.083 -7.419 1.00 0.00 C ATOM 654 CD2 LEU A 213 -0.100 0.908 -6.436 1.00 0.00 C ATOM 0 H LEU A 213 -3.062 0.161 -8.683 1.00 0.00 H new ATOM 0 HA LEU A 213 -2.167 -0.646 -6.082 1.00 0.00 H new ATOM 0 HB2 LEU A 213 -3.322 1.983 -7.145 1.00 0.00 H new ATOM 0 HB3 LEU A 213 -2.532 1.815 -5.590 1.00 0.00 H new ATOM 0 HG LEU A 213 -1.220 1.119 -8.263 1.00 0.00 H new ATOM 0 HD11 LEU A 213 0.071 3.216 -7.899 1.00 0.00 H new ATOM 0 HD12 LEU A 213 -1.672 3.554 -8.026 1.00 0.00 H new ATOM 0 HD13 LEU A 213 -0.882 3.545 -6.432 1.00 0.00 H new ATOM 0 HD21 LEU A 213 0.865 1.036 -6.926 1.00 0.00 H new ATOM 0 HD22 LEU A 213 -0.068 1.363 -5.446 1.00 0.00 H new ATOM 0 HD23 LEU A 213 -0.319 -0.155 -6.339 1.00 0.00 H new ATOM 666 N LYS A 214 -5.363 0.101 -6.402 1.00 0.00 N ATOM 667 CA LYS A 214 -6.683 -0.016 -5.714 1.00 0.00 C ATOM 668 C LYS A 214 -6.943 -1.460 -5.284 1.00 0.00 C ATOM 669 O LYS A 214 -7.489 -1.709 -4.232 1.00 0.00 O ATOM 670 CB LYS A 214 -7.798 0.438 -6.656 1.00 0.00 C ATOM 671 CG LYS A 214 -7.750 1.964 -6.836 1.00 0.00 C ATOM 672 CD LYS A 214 -9.062 2.450 -7.467 1.00 0.00 C ATOM 673 CE LYS A 214 -9.176 1.930 -8.904 1.00 0.00 C ATOM 674 NZ LYS A 214 -10.293 2.624 -9.609 1.00 0.00 N ATOM 0 H LYS A 214 -5.407 0.447 -7.360 1.00 0.00 H new ATOM 0 HA LYS A 214 -6.666 0.618 -4.828 1.00 0.00 H new ATOM 0 HB2 LYS A 214 -7.690 -0.053 -7.623 1.00 0.00 H new ATOM 0 HB3 LYS A 214 -8.767 0.142 -6.254 1.00 0.00 H new ATOM 0 HG2 LYS A 214 -7.597 2.449 -5.872 1.00 0.00 H new ATOM 0 HG3 LYS A 214 -6.906 2.239 -7.469 1.00 0.00 H new ATOM 0 HD2 LYS A 214 -9.910 2.102 -6.877 1.00 0.00 H new ATOM 0 HD3 LYS A 214 -9.096 3.539 -7.462 1.00 0.00 H new ATOM 0 HE2 LYS A 214 -8.239 2.097 -9.436 1.00 0.00 H new ATOM 0 HE3 LYS A 214 -9.351 0.854 -8.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 214 -10.364 2.266 -10.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 214 -11.186 2.443 -9.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 214 -10.108 3.647 -9.629 1.00 0.00 H new ATOM 688 N GLU A 215 -6.571 -2.415 -6.091 1.00 0.00 N ATOM 689 CA GLU A 215 -6.818 -3.831 -5.707 1.00 0.00 C ATOM 690 C GLU A 215 -6.051 -4.135 -4.422 1.00 0.00 C ATOM 691 O GLU A 215 -6.555 -4.772 -3.519 1.00 0.00 O ATOM 692 CB GLU A 215 -6.340 -4.758 -6.826 1.00 0.00 C ATOM 693 CG GLU A 215 -7.291 -4.663 -8.029 1.00 0.00 C ATOM 694 CD GLU A 215 -8.515 -5.559 -7.801 1.00 0.00 C ATOM 695 OE1 GLU A 215 -8.716 -5.980 -6.674 1.00 0.00 O ATOM 696 OE2 GLU A 215 -9.225 -5.811 -8.760 1.00 0.00 O ATOM 0 H GLU A 215 -6.111 -2.278 -6.991 1.00 0.00 H new ATOM 0 HA GLU A 215 -7.884 -3.990 -5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -5.329 -4.485 -7.129 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -6.298 -5.786 -6.465 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -7.608 -3.630 -8.172 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -6.772 -4.966 -8.938 1.00 0.00 H new ATOM 703 N ILE A 216 -4.841 -3.669 -4.332 1.00 0.00 N ATOM 704 CA ILE A 216 -4.036 -3.909 -3.107 1.00 0.00 C ATOM 705 C ILE A 216 -4.660 -3.136 -1.950 1.00 0.00 C ATOM 706 O ILE A 216 -4.737 -3.613 -0.836 1.00 0.00 O ATOM 707 CB ILE A 216 -2.606 -3.418 -3.360 1.00 0.00 C ATOM 708 CG1 ILE A 216 -1.979 -4.271 -4.466 1.00 0.00 C ATOM 709 CG2 ILE A 216 -1.765 -3.518 -2.083 1.00 0.00 C ATOM 710 CD1 ILE A 216 -0.679 -3.622 -4.943 1.00 0.00 C ATOM 0 H ILE A 216 -4.372 -3.129 -5.059 1.00 0.00 H new ATOM 0 HA ILE A 216 -4.016 -4.970 -2.859 1.00 0.00 H new ATOM 0 HB ILE A 216 -2.634 -2.372 -3.666 1.00 0.00 H new ATOM 0 HG12 ILE A 216 -1.780 -5.276 -4.095 1.00 0.00 H new ATOM 0 HG13 ILE A 216 -2.674 -4.371 -5.300 1.00 0.00 H new ATOM 0 HG21 ILE A 216 -0.754 -3.165 -2.285 1.00 0.00 H new ATOM 0 HG22 ILE A 216 -2.215 -2.905 -1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 216 -1.727 -4.556 -1.752 1.00 0.00 H new ATOM 0 HD11 ILE A 216 -0.235 -4.232 -5.730 1.00 0.00 H new ATOM 0 HD12 ILE A 216 -0.891 -2.626 -5.331 1.00 0.00 H new ATOM 0 HD13 ILE A 216 0.017 -3.545 -4.108 1.00 0.00 H new ATOM 722 N LEU A 217 -5.115 -1.947 -2.211 1.00 0.00 N ATOM 723 CA LEU A 217 -5.750 -1.140 -1.137 1.00 0.00 C ATOM 724 C LEU A 217 -7.135 -1.722 -0.835 1.00 0.00 C ATOM 725 O LEU A 217 -7.602 -1.704 0.280 1.00 0.00 O ATOM 726 CB LEU A 217 -5.886 0.302 -1.615 1.00 0.00 C ATOM 727 CG LEU A 217 -4.488 0.905 -1.856 1.00 0.00 C ATOM 728 CD1 LEU A 217 -4.623 2.234 -2.614 1.00 0.00 C ATOM 729 CD2 LEU A 217 -3.768 1.157 -0.519 1.00 0.00 C ATOM 0 H LEU A 217 -5.075 -1.497 -3.125 1.00 0.00 H new ATOM 0 HA LEU A 217 -5.141 -1.164 -0.233 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.471 0.337 -2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -6.424 0.892 -0.873 1.00 0.00 H new ATOM 0 HG LEU A 217 -3.904 0.198 -2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -3.633 2.658 -2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -5.111 2.058 -3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -5.220 2.930 -2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -2.783 1.583 -0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -4.353 1.852 0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -3.658 0.215 0.018 1.00 0.00 H new ATOM 741 N LYS A 218 -7.797 -2.244 -1.821 1.00 0.00 N ATOM 742 CA LYS A 218 -9.144 -2.833 -1.573 1.00 0.00 C ATOM 743 C LYS A 218 -9.027 -3.979 -0.558 1.00 0.00 C ATOM 744 O LYS A 218 -9.892 -4.173 0.272 1.00 0.00 O ATOM 745 CB LYS A 218 -9.720 -3.378 -2.887 1.00 0.00 C ATOM 746 CG LYS A 218 -10.312 -2.235 -3.740 1.00 0.00 C ATOM 747 CD LYS A 218 -11.765 -1.961 -3.324 1.00 0.00 C ATOM 748 CE LYS A 218 -12.379 -0.932 -4.273 1.00 0.00 C ATOM 749 NZ LYS A 218 -11.580 0.323 -4.228 1.00 0.00 N ATOM 0 H LYS A 218 -7.470 -2.291 -2.786 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.804 -2.061 -1.178 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -8.938 -3.889 -3.448 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -10.493 -4.116 -2.672 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -9.714 -1.332 -3.616 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -10.272 -2.501 -4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -12.342 -2.885 -3.349 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -11.798 -1.592 -2.299 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -12.400 -1.326 -5.289 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -13.411 -0.729 -3.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -12.193 1.115 -3.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -10.810 0.220 -3.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -11.178 0.512 -5.168 1.00 0.00 H new ATOM 763 N GLU A 219 -7.978 -4.763 -0.635 1.00 0.00 N ATOM 764 CA GLU A 219 -7.845 -5.911 0.310 1.00 0.00 C ATOM 765 C GLU A 219 -7.446 -5.436 1.716 1.00 0.00 C ATOM 766 O GLU A 219 -8.065 -5.813 2.692 1.00 0.00 O ATOM 767 CB GLU A 219 -6.780 -6.885 -0.222 1.00 0.00 C ATOM 768 CG GLU A 219 -7.321 -7.607 -1.461 1.00 0.00 C ATOM 769 CD GLU A 219 -6.236 -8.507 -2.065 1.00 0.00 C ATOM 770 OE1 GLU A 219 -5.103 -8.416 -1.623 1.00 0.00 O ATOM 771 OE2 GLU A 219 -6.561 -9.269 -2.962 1.00 0.00 O ATOM 0 H GLU A 219 -7.216 -4.658 -1.305 1.00 0.00 H new ATOM 0 HA GLU A 219 -8.812 -6.409 0.382 1.00 0.00 H new ATOM 0 HB2 GLU A 219 -5.869 -6.342 -0.473 1.00 0.00 H new ATOM 0 HB3 GLU A 219 -6.517 -7.610 0.549 1.00 0.00 H new ATOM 0 HG2 GLU A 219 -8.191 -8.205 -1.191 1.00 0.00 H new ATOM 0 HG3 GLU A 219 -7.652 -6.878 -2.200 1.00 0.00 H new ATOM 778 N ILE A 220 -6.416 -4.628 1.839 1.00 0.00 N ATOM 779 CA ILE A 220 -5.972 -4.155 3.199 1.00 0.00 C ATOM 780 C ILE A 220 -6.237 -2.659 3.381 1.00 0.00 C ATOM 781 O ILE A 220 -6.114 -2.134 4.462 1.00 0.00 O ATOM 782 CB ILE A 220 -4.465 -4.412 3.352 1.00 0.00 C ATOM 783 CG1 ILE A 220 -3.672 -3.574 2.329 1.00 0.00 C ATOM 784 CG2 ILE A 220 -4.178 -5.899 3.112 1.00 0.00 C ATOM 785 CD1 ILE A 220 -2.171 -3.739 2.581 1.00 0.00 C ATOM 0 H ILE A 220 -5.862 -4.274 1.059 1.00 0.00 H new ATOM 0 HA ILE A 220 -6.538 -4.702 3.953 1.00 0.00 H new ATOM 0 HB ILE A 220 -4.159 -4.128 4.359 1.00 0.00 H new ATOM 0 HG12 ILE A 220 -3.918 -3.892 1.316 1.00 0.00 H new ATOM 0 HG13 ILE A 220 -3.951 -2.523 2.410 1.00 0.00 H new ATOM 0 HG21 ILE A 220 -3.109 -6.085 3.220 1.00 0.00 H new ATOM 0 HG22 ILE A 220 -4.726 -6.497 3.840 1.00 0.00 H new ATOM 0 HG23 ILE A 220 -4.494 -6.173 2.106 1.00 0.00 H new ATOM 0 HD11 ILE A 220 -1.613 -3.146 1.857 1.00 0.00 H new ATOM 0 HD12 ILE A 220 -1.932 -3.400 3.589 1.00 0.00 H new ATOM 0 HD13 ILE A 220 -1.898 -4.789 2.477 1.00 0.00 H new ATOM 797 N GLY A 221 -6.561 -1.963 2.335 1.00 0.00 N ATOM 798 CA GLY A 221 -6.788 -0.493 2.468 1.00 0.00 C ATOM 799 C GLY A 221 -8.220 -0.209 2.925 1.00 0.00 C ATOM 800 O GLY A 221 -9.033 -1.098 3.077 1.00 0.00 O ATOM 0 H GLY A 221 -6.680 -2.340 1.395 1.00 0.00 H new ATOM 0 HA2 GLY A 221 -6.082 -0.074 3.185 1.00 0.00 H new ATOM 0 HA3 GLY A 221 -6.601 -0.003 1.513 1.00 0.00 H new ATOM 804 N VAL A 222 -8.524 1.045 3.130 1.00 0.00 N ATOM 805 CA VAL A 222 -9.889 1.464 3.563 1.00 0.00 C ATOM 806 C VAL A 222 -10.220 2.739 2.789 1.00 0.00 C ATOM 807 O VAL A 222 -9.353 3.322 2.184 1.00 0.00 O ATOM 808 CB VAL A 222 -9.894 1.748 5.077 1.00 0.00 C ATOM 809 CG1 VAL A 222 -11.265 2.292 5.511 1.00 0.00 C ATOM 810 CG2 VAL A 222 -9.597 0.455 5.839 1.00 0.00 C ATOM 0 H VAL A 222 -7.866 1.815 3.012 1.00 0.00 H new ATOM 0 HA VAL A 222 -10.624 0.683 3.366 1.00 0.00 H new ATOM 0 HB VAL A 222 -9.129 2.492 5.300 1.00 0.00 H new ATOM 0 HG11 VAL A 222 -11.256 2.489 6.583 1.00 0.00 H new ATOM 0 HG12 VAL A 222 -11.476 3.217 4.974 1.00 0.00 H new ATOM 0 HG13 VAL A 222 -12.037 1.557 5.284 1.00 0.00 H new ATOM 0 HG21 VAL A 222 -9.600 0.655 6.910 1.00 0.00 H new ATOM 0 HG22 VAL A 222 -10.360 -0.288 5.606 1.00 0.00 H new ATOM 0 HG23 VAL A 222 -8.619 0.075 5.544 1.00 0.00 H new ATOM 820 N GLN A 223 -11.454 3.175 2.795 1.00 0.00 N ATOM 821 CA GLN A 223 -11.829 4.422 2.048 1.00 0.00 C ATOM 822 C GLN A 223 -12.662 5.313 2.963 1.00 0.00 C ATOM 823 O GLN A 223 -13.377 4.841 3.822 1.00 0.00 O ATOM 824 CB GLN A 223 -12.632 4.048 0.795 1.00 0.00 C ATOM 825 CG GLN A 223 -13.114 5.313 0.065 1.00 0.00 C ATOM 826 CD GLN A 223 -11.920 6.197 -0.306 1.00 0.00 C ATOM 827 OE1 GLN A 223 -11.160 5.872 -1.198 1.00 0.00 O ATOM 828 NE2 GLN A 223 -11.722 7.312 0.346 1.00 0.00 N ATOM 0 H GLN A 223 -12.224 2.721 3.286 1.00 0.00 H new ATOM 0 HA GLN A 223 -10.931 4.959 1.740 1.00 0.00 H new ATOM 0 HB2 GLN A 223 -12.015 3.448 0.126 1.00 0.00 H new ATOM 0 HB3 GLN A 223 -13.488 3.434 1.075 1.00 0.00 H new ATOM 0 HG2 GLN A 223 -13.664 5.035 -0.834 1.00 0.00 H new ATOM 0 HG3 GLN A 223 -13.803 5.868 0.701 1.00 0.00 H new ATOM 0 HE21 GLN A 223 -12.359 7.585 1.094 1.00 0.00 H new ATOM 0 HE22 GLN A 223 -10.930 7.909 0.107 1.00 0.00 H new ATOM 837 N ASN A 224 -12.552 6.605 2.807 1.00 0.00 N ATOM 838 CA ASN A 224 -13.312 7.525 3.695 1.00 0.00 C ATOM 839 C ASN A 224 -13.607 8.822 2.934 1.00 0.00 C ATOM 840 O ASN A 224 -12.710 9.574 2.599 1.00 0.00 O ATOM 841 CB ASN A 224 -12.444 7.854 4.916 1.00 0.00 C ATOM 842 CG ASN A 224 -11.633 6.621 5.305 1.00 0.00 C ATOM 843 OD1 ASN A 224 -12.097 5.776 6.042 1.00 0.00 O ATOM 844 ND2 ASN A 224 -10.429 6.489 4.815 1.00 0.00 N ATOM 0 H ASN A 224 -11.970 7.060 2.104 1.00 0.00 H new ATOM 0 HA ASN A 224 -14.246 7.058 4.009 1.00 0.00 H new ATOM 0 HB2 ASN A 224 -11.777 8.686 4.689 1.00 0.00 H new ATOM 0 HB3 ASN A 224 -13.072 8.168 5.749 1.00 0.00 H new ATOM 0 HD21 ASN A 224 -9.869 5.670 5.051 1.00 0.00 H new ATOM 0 HD22 ASN A 224 -10.049 7.205 4.196 1.00 0.00 H new ATOM 851 N VAL A 225 -14.852 9.099 2.679 1.00 0.00 N ATOM 852 CA VAL A 225 -15.212 10.359 1.969 1.00 0.00 C ATOM 853 C VAL A 225 -15.506 11.425 3.029 1.00 0.00 C ATOM 854 O VAL A 225 -16.241 11.196 3.964 1.00 0.00 O ATOM 855 CB VAL A 225 -16.445 10.132 1.089 1.00 0.00 C ATOM 856 CG1 VAL A 225 -16.093 9.177 -0.056 1.00 0.00 C ATOM 857 CG2 VAL A 225 -17.564 9.514 1.926 1.00 0.00 C ATOM 0 H VAL A 225 -15.642 8.505 2.932 1.00 0.00 H new ATOM 0 HA VAL A 225 -14.394 10.682 1.325 1.00 0.00 H new ATOM 0 HB VAL A 225 -16.774 11.088 0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -16.972 9.018 -0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -15.294 9.610 -0.658 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -15.762 8.223 0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -18.441 9.353 1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -17.229 8.560 2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -17.821 10.188 2.743 1.00 0.00 H new ATOM 867 N LYS A 226 -14.907 12.576 2.913 1.00 0.00 N ATOM 868 CA LYS A 226 -15.118 13.644 3.937 1.00 0.00 C ATOM 869 C LYS A 226 -16.220 14.614 3.496 1.00 0.00 C ATOM 870 O LYS A 226 -16.940 14.371 2.550 1.00 0.00 O ATOM 871 CB LYS A 226 -13.810 14.403 4.124 1.00 0.00 C ATOM 872 CG LYS A 226 -12.653 13.401 4.225 1.00 0.00 C ATOM 873 CD LYS A 226 -12.944 12.367 5.319 1.00 0.00 C ATOM 874 CE LYS A 226 -11.638 11.752 5.839 1.00 0.00 C ATOM 875 NZ LYS A 226 -10.868 12.767 6.619 1.00 0.00 N ATOM 0 H LYS A 226 -14.277 12.827 2.151 1.00 0.00 H new ATOM 0 HA LYS A 226 -15.428 13.184 4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 226 -13.647 15.081 3.287 1.00 0.00 H new ATOM 0 HB3 LYS A 226 -13.857 15.014 5.025 1.00 0.00 H new ATOM 0 HG2 LYS A 226 -12.512 12.899 3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 226 -11.725 13.927 4.449 1.00 0.00 H new ATOM 0 HD2 LYS A 226 -13.482 12.840 6.140 1.00 0.00 H new ATOM 0 HD3 LYS A 226 -13.590 11.583 4.924 1.00 0.00 H new ATOM 0 HE2 LYS A 226 -11.858 10.889 6.468 1.00 0.00 H new ATOM 0 HE3 LYS A 226 -11.038 11.392 5.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 226 -10.233 12.284 7.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 226 -10.306 13.352 5.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 226 -11.528 13.373 7.147 1.00 0.00 H new ATOM 889 N GLY A 227 -16.357 15.713 4.196 1.00 0.00 N ATOM 890 CA GLY A 227 -17.413 16.715 3.854 1.00 0.00 C ATOM 891 C GLY A 227 -17.486 16.914 2.341 1.00 0.00 C ATOM 892 O GLY A 227 -18.405 16.455 1.692 1.00 0.00 O ATOM 0 H GLY A 227 -15.777 15.961 4.997 1.00 0.00 H new ATOM 0 HA2 GLY A 227 -18.379 16.378 4.230 1.00 0.00 H new ATOM 0 HA3 GLY A 227 -17.194 17.665 4.342 1.00 0.00 H new ATOM 896 N ILE A 228 -16.533 17.588 1.763 1.00 0.00 N ATOM 897 CA ILE A 228 -16.577 17.785 0.290 1.00 0.00 C ATOM 898 C ILE A 228 -16.259 16.456 -0.385 1.00 0.00 C ATOM 899 O ILE A 228 -16.150 16.371 -1.589 1.00 0.00 O ATOM 900 CB ILE A 228 -15.578 18.867 -0.132 1.00 0.00 C ATOM 901 CG1 ILE A 228 -14.161 18.479 0.299 1.00 0.00 C ATOM 902 CG2 ILE A 228 -15.956 20.190 0.532 1.00 0.00 C ATOM 903 CD1 ILE A 228 -13.146 19.489 -0.258 1.00 0.00 C ATOM 0 H ILE A 228 -15.735 18.006 2.240 1.00 0.00 H new ATOM 0 HA ILE A 228 -17.570 18.117 -0.014 1.00 0.00 H new ATOM 0 HB ILE A 228 -15.606 18.970 -1.217 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -14.098 18.450 1.387 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -13.924 17.478 -0.060 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -15.247 20.962 0.234 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -16.960 20.479 0.221 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -15.931 20.073 1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -12.141 19.205 0.054 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -13.200 19.496 -1.347 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -13.376 20.484 0.123 1.00 0.00 H new ATOM 915 N HIS A 229 -16.110 15.428 0.408 1.00 0.00 N ATOM 916 CA HIS A 229 -15.801 14.066 -0.118 1.00 0.00 C ATOM 917 C HIS A 229 -14.305 13.927 -0.422 1.00 0.00 C ATOM 918 O HIS A 229 -13.932 13.526 -1.505 1.00 0.00 O ATOM 919 CB HIS A 229 -16.603 13.767 -1.397 1.00 0.00 C ATOM 920 CG HIS A 229 -18.013 14.283 -1.271 1.00 0.00 C ATOM 921 ND1 HIS A 229 -18.769 14.647 -2.378 1.00 0.00 N ATOM 922 CD2 HIS A 229 -18.831 14.466 -0.186 1.00 0.00 C ATOM 923 CE1 HIS A 229 -19.984 15.021 -1.936 1.00 0.00 C ATOM 924 NE2 HIS A 229 -20.075 14.930 -0.606 1.00 0.00 N ATOM 0 H HIS A 229 -16.192 15.477 1.424 1.00 0.00 H new ATOM 0 HA HIS A 229 -16.084 13.350 0.654 1.00 0.00 H new ATOM 0 HB2 HIS A 229 -16.116 14.230 -2.255 1.00 0.00 H new ATOM 0 HB3 HIS A 229 -16.618 12.693 -1.581 1.00 0.00 H new ATOM 0 HD2 HIS A 229 -18.552 14.278 0.840 1.00 0.00 H new ATOM 0 HE1 HIS A 229 -20.787 15.354 -2.577 1.00 0.00 H new ATOM 0 HE2 HIS A 229 -20.882 15.153 -0.024 1.00 0.00 H new ATOM 932 N LYS A 230 -13.434 14.214 0.519 1.00 0.00 N ATOM 933 CA LYS A 230 -11.981 14.032 0.225 1.00 0.00 C ATOM 934 C LYS A 230 -11.684 12.536 0.276 1.00 0.00 C ATOM 935 O LYS A 230 -11.921 11.875 1.265 1.00 0.00 O ATOM 936 CB LYS A 230 -11.094 14.779 1.248 1.00 0.00 C ATOM 937 CG LYS A 230 -11.039 16.306 0.943 1.00 0.00 C ATOM 938 CD LYS A 230 -11.817 17.094 2.006 1.00 0.00 C ATOM 939 CE LYS A 230 -11.162 16.938 3.392 1.00 0.00 C ATOM 940 NZ LYS A 230 -11.186 18.252 4.092 1.00 0.00 N ATOM 0 H LYS A 230 -13.660 14.557 1.453 1.00 0.00 H new ATOM 0 HA LYS A 230 -11.755 14.446 -0.758 1.00 0.00 H new ATOM 0 HB2 LYS A 230 -11.483 14.621 2.254 1.00 0.00 H new ATOM 0 HB3 LYS A 230 -10.086 14.366 1.228 1.00 0.00 H new ATOM 0 HG2 LYS A 230 -10.002 16.641 0.920 1.00 0.00 H new ATOM 0 HG3 LYS A 230 -11.460 16.501 -0.043 1.00 0.00 H new ATOM 0 HD2 LYS A 230 -11.851 18.148 1.731 1.00 0.00 H new ATOM 0 HD3 LYS A 230 -12.848 16.742 2.044 1.00 0.00 H new ATOM 0 HE2 LYS A 230 -11.696 16.190 3.978 1.00 0.00 H new ATOM 0 HE3 LYS A 230 -10.136 16.587 3.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 230 -10.745 18.154 5.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 230 -10.659 18.953 3.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 230 -12.171 18.568 4.204 1.00 0.00 H new ATOM 954 N ASN A 231 -11.192 11.998 -0.798 1.00 0.00 N ATOM 955 CA ASN A 231 -10.905 10.540 -0.840 1.00 0.00 C ATOM 956 C ASN A 231 -9.648 10.226 -0.042 1.00 0.00 C ATOM 957 O ASN A 231 -8.581 10.692 -0.372 1.00 0.00 O ATOM 958 CB ASN A 231 -10.652 10.124 -2.293 1.00 0.00 C ATOM 959 CG ASN A 231 -11.694 10.754 -3.210 1.00 0.00 C ATOM 960 OD1 ASN A 231 -12.866 10.441 -3.131 1.00 0.00 O ATOM 961 ND2 ASN A 231 -11.306 11.640 -4.089 1.00 0.00 N ATOM 0 H ASN A 231 -10.974 12.507 -1.655 1.00 0.00 H new ATOM 0 HA ASN A 231 -11.755 10.004 -0.419 1.00 0.00 H new ATOM 0 HB2 ASN A 231 -9.653 10.434 -2.599 1.00 0.00 H new ATOM 0 HB3 ASN A 231 -10.689 9.038 -2.380 1.00 0.00 H new ATOM 0 HD21 ASN A 231 -11.988 12.072 -4.713 1.00 0.00 H new ATOM 0 HD22 ASN A 231 -10.321 11.899 -4.151 1.00 0.00 H new ATOM 968 N THR A 232 -9.746 9.412 0.975 1.00 0.00 N ATOM 969 CA THR A 232 -8.524 9.048 1.760 1.00 0.00 C ATOM 970 C THR A 232 -8.446 7.536 1.894 1.00 0.00 C ATOM 971 O THR A 232 -9.422 6.832 1.713 1.00 0.00 O ATOM 972 CB THR A 232 -8.578 9.688 3.138 1.00 0.00 C ATOM 973 OG1 THR A 232 -9.711 9.214 3.842 1.00 0.00 O ATOM 974 CG2 THR A 232 -8.654 11.200 2.979 1.00 0.00 C ATOM 0 H THR A 232 -10.614 8.984 1.297 1.00 0.00 H new ATOM 0 HA THR A 232 -7.639 9.414 1.240 1.00 0.00 H new ATOM 0 HB THR A 232 -7.683 9.427 3.702 1.00 0.00 H new ATOM 0 HG1 THR A 232 -9.741 9.628 4.730 1.00 0.00 H new ATOM 0 HG21 THR A 232 -8.693 11.668 3.963 1.00 0.00 H new ATOM 0 HG22 THR A 232 -7.773 11.554 2.444 1.00 0.00 H new ATOM 0 HG23 THR A 232 -9.550 11.462 2.417 1.00 0.00 H new ATOM 982 N TRP A 233 -7.276 7.036 2.185 1.00 0.00 N ATOM 983 CA TRP A 233 -7.087 5.563 2.314 1.00 0.00 C ATOM 984 C TRP A 233 -6.186 5.245 3.499 1.00 0.00 C ATOM 985 O TRP A 233 -5.291 5.997 3.827 1.00 0.00 O ATOM 986 CB TRP A 233 -6.432 5.025 1.036 1.00 0.00 C ATOM 987 CG TRP A 233 -7.419 4.994 -0.085 1.00 0.00 C ATOM 988 CD1 TRP A 233 -7.708 6.032 -0.898 1.00 0.00 C ATOM 989 CD2 TRP A 233 -8.234 3.877 -0.539 1.00 0.00 C ATOM 990 NE1 TRP A 233 -8.652 5.626 -1.821 1.00 0.00 N ATOM 991 CE2 TRP A 233 -9.008 4.303 -1.641 1.00 0.00 C ATOM 992 CE3 TRP A 233 -8.374 2.545 -0.104 1.00 0.00 C ATOM 993 CZ2 TRP A 233 -9.893 3.443 -2.291 1.00 0.00 C ATOM 994 CZ3 TRP A 233 -9.264 1.677 -0.755 1.00 0.00 C ATOM 995 CH2 TRP A 233 -10.021 2.123 -1.847 1.00 0.00 C ATOM 0 H TRP A 233 -6.434 7.591 2.340 1.00 0.00 H new ATOM 0 HA TRP A 233 -8.060 5.096 2.468 1.00 0.00 H new ATOM 0 HB2 TRP A 233 -5.583 5.652 0.764 1.00 0.00 H new ATOM 0 HB3 TRP A 233 -6.043 4.022 1.214 1.00 0.00 H new ATOM 0 HD1 TRP A 233 -7.272 7.018 -0.837 1.00 0.00 H new ATOM 0 HE1 TRP A 233 -9.039 6.229 -2.547 1.00 0.00 H new ATOM 0 HE3 TRP A 233 -7.794 2.190 0.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 233 -10.475 3.794 -3.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 233 -9.366 0.658 -0.412 1.00 0.00 H new ATOM 0 HH2 TRP A 233 -10.702 1.448 -2.345 1.00 0.00 H new ATOM 1006 N GLU A 234 -6.413 4.118 4.134 1.00 0.00 N ATOM 1007 CA GLU A 234 -5.558 3.712 5.299 1.00 0.00 C ATOM 1008 C GLU A 234 -5.280 2.207 5.246 1.00 0.00 C ATOM 1009 O GLU A 234 -6.166 1.413 5.002 1.00 0.00 O ATOM 1010 CB GLU A 234 -6.275 4.024 6.610 1.00 0.00 C ATOM 1011 CG GLU A 234 -6.458 5.529 6.757 1.00 0.00 C ATOM 1012 CD GLU A 234 -7.040 5.821 8.138 1.00 0.00 C ATOM 1013 OE1 GLU A 234 -8.213 5.555 8.330 1.00 0.00 O ATOM 1014 OE2 GLU A 234 -6.302 6.306 8.980 1.00 0.00 O ATOM 0 H GLU A 234 -7.155 3.460 3.896 1.00 0.00 H new ATOM 0 HA GLU A 234 -4.621 4.267 5.246 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -7.245 3.527 6.631 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -5.700 3.635 7.450 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -5.503 6.039 6.634 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -7.123 5.906 5.980 1.00 0.00 H new ATOM 1021 N LEU A 235 -4.063 1.812 5.505 1.00 0.00 N ATOM 1022 CA LEU A 235 -3.735 0.362 5.499 1.00 0.00 C ATOM 1023 C LEU A 235 -4.412 -0.284 6.705 1.00 0.00 C ATOM 1024 O LEU A 235 -3.984 -0.113 7.826 1.00 0.00 O ATOM 1025 CB LEU A 235 -2.223 0.172 5.624 1.00 0.00 C ATOM 1026 CG LEU A 235 -1.512 0.768 4.403 1.00 0.00 C ATOM 1027 CD1 LEU A 235 0.008 0.657 4.600 1.00 0.00 C ATOM 1028 CD2 LEU A 235 -1.938 0.022 3.120 1.00 0.00 C ATOM 0 H LEU A 235 -3.283 2.433 5.720 1.00 0.00 H new ATOM 0 HA LEU A 235 -4.080 -0.092 4.570 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -1.863 0.652 6.534 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -1.988 -0.889 5.709 1.00 0.00 H new ATOM 0 HG LEU A 235 -1.789 1.817 4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 235 0.519 1.079 3.735 1.00 0.00 H new ATOM 0 HD12 LEU A 235 0.300 1.204 5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 235 0.285 -0.392 4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.426 0.455 2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -1.673 -1.032 3.207 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -3.016 0.116 2.986 1.00 0.00 H new ATOM 1040 N LYS A 236 -5.461 -1.018 6.483 1.00 0.00 N ATOM 1041 CA LYS A 236 -6.173 -1.664 7.614 1.00 0.00 C ATOM 1042 C LYS A 236 -5.173 -2.542 8.405 1.00 0.00 C ATOM 1043 O LYS A 236 -4.701 -3.539 7.897 1.00 0.00 O ATOM 1044 CB LYS A 236 -7.282 -2.543 7.027 1.00 0.00 C ATOM 1045 CG LYS A 236 -8.242 -3.005 8.129 1.00 0.00 C ATOM 1046 CD LYS A 236 -9.565 -3.451 7.491 1.00 0.00 C ATOM 1047 CE LYS A 236 -10.546 -3.912 8.571 1.00 0.00 C ATOM 1048 NZ LYS A 236 -10.120 -5.237 9.108 1.00 0.00 N ATOM 0 H LYS A 236 -5.858 -1.199 5.561 1.00 0.00 H new ATOM 0 HA LYS A 236 -6.598 -0.917 8.285 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -7.832 -1.986 6.268 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -6.843 -3.409 6.532 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -7.800 -3.827 8.692 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -8.420 -2.195 8.836 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -9.999 -2.628 6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -9.382 -4.262 6.786 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -10.586 -3.179 9.376 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -11.551 -3.984 8.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -10.278 -5.262 10.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -10.675 -5.990 8.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -9.110 -5.383 8.910 1.00 0.00 H new ATOM 1062 N PRO A 237 -4.842 -2.184 9.636 1.00 0.00 N ATOM 1063 CA PRO A 237 -3.880 -2.965 10.474 1.00 0.00 C ATOM 1064 C PRO A 237 -4.566 -4.088 11.255 1.00 0.00 C ATOM 1065 O PRO A 237 -3.947 -4.802 12.015 1.00 0.00 O ATOM 1066 CB PRO A 237 -3.353 -1.913 11.445 1.00 0.00 C ATOM 1067 CG PRO A 237 -4.533 -1.030 11.697 1.00 0.00 C ATOM 1068 CD PRO A 237 -5.340 -1.006 10.386 1.00 0.00 C ATOM 0 HA PRO A 237 -3.115 -3.455 9.872 1.00 0.00 H new ATOM 0 HB2 PRO A 237 -2.990 -2.367 12.367 1.00 0.00 H new ATOM 0 HB3 PRO A 237 -2.521 -1.355 11.016 1.00 0.00 H new ATOM 0 HG2 PRO A 237 -5.137 -1.413 12.519 1.00 0.00 H new ATOM 0 HG3 PRO A 237 -4.215 -0.026 11.977 1.00 0.00 H new ATOM 0 HD2 PRO A 237 -6.411 -1.077 10.575 1.00 0.00 H new ATOM 0 HD3 PRO A 237 -5.175 -0.082 9.833 1.00 0.00 H new ATOM 1076 N GLU A 238 -5.847 -4.190 11.122 1.00 0.00 N ATOM 1077 CA GLU A 238 -6.610 -5.203 11.903 1.00 0.00 C ATOM 1078 C GLU A 238 -6.051 -6.617 11.733 1.00 0.00 C ATOM 1079 O GLU A 238 -5.974 -7.356 12.695 1.00 0.00 O ATOM 1080 CB GLU A 238 -8.068 -5.190 11.444 1.00 0.00 C ATOM 1081 CG GLU A 238 -8.704 -3.836 11.779 1.00 0.00 C ATOM 1082 CD GLU A 238 -8.731 -3.636 13.296 1.00 0.00 C ATOM 1083 OE1 GLU A 238 -8.824 -4.627 14.003 1.00 0.00 O ATOM 1084 OE2 GLU A 238 -8.653 -2.499 13.725 1.00 0.00 O ATOM 0 H GLU A 238 -6.412 -3.611 10.500 1.00 0.00 H new ATOM 0 HA GLU A 238 -6.524 -4.938 12.957 1.00 0.00 H new ATOM 0 HB2 GLU A 238 -8.123 -5.373 10.371 1.00 0.00 H new ATOM 0 HB3 GLU A 238 -8.620 -5.993 11.933 1.00 0.00 H new ATOM 0 HG2 GLU A 238 -8.139 -3.032 11.307 1.00 0.00 H new ATOM 0 HG3 GLU A 238 -9.717 -3.791 11.379 1.00 0.00 H new ATOM 1091 N TYR A 239 -5.693 -7.025 10.537 1.00 0.00 N ATOM 1092 CA TYR A 239 -5.178 -8.428 10.351 1.00 0.00 C ATOM 1093 C TYR A 239 -3.876 -8.460 9.549 1.00 0.00 C ATOM 1094 O TYR A 239 -3.580 -9.443 8.899 1.00 0.00 O ATOM 1095 CB TYR A 239 -6.234 -9.252 9.619 1.00 0.00 C ATOM 1096 CG TYR A 239 -6.436 -8.705 8.228 1.00 0.00 C ATOM 1097 CD1 TYR A 239 -7.220 -7.565 8.038 1.00 0.00 C ATOM 1098 CD2 TYR A 239 -5.841 -9.336 7.130 1.00 0.00 C ATOM 1099 CE1 TYR A 239 -7.413 -7.051 6.754 1.00 0.00 C ATOM 1100 CE2 TYR A 239 -6.033 -8.827 5.842 1.00 0.00 C ATOM 1101 CZ TYR A 239 -6.819 -7.681 5.651 1.00 0.00 C ATOM 1102 OH TYR A 239 -7.009 -7.182 4.381 1.00 0.00 O ATOM 0 H TYR A 239 -5.733 -6.458 9.690 1.00 0.00 H new ATOM 0 HA TYR A 239 -4.973 -8.844 11.338 1.00 0.00 H new ATOM 0 HB2 TYR A 239 -5.923 -10.295 9.568 1.00 0.00 H new ATOM 0 HB3 TYR A 239 -7.174 -9.227 10.170 1.00 0.00 H new ATOM 0 HD1 TYR A 239 -7.678 -7.079 8.887 1.00 0.00 H new ATOM 0 HD2 TYR A 239 -5.233 -10.217 7.277 1.00 0.00 H new ATOM 0 HE1 TYR A 239 -8.019 -6.169 6.611 1.00 0.00 H new ATOM 0 HE2 TYR A 239 -5.576 -9.316 4.994 1.00 0.00 H new ATOM 0 HH TYR A 239 -7.840 -6.664 4.354 1.00 0.00 H new ATOM 1112 N ARG A 240 -3.073 -7.435 9.591 1.00 0.00 N ATOM 1113 CA ARG A 240 -1.800 -7.495 8.818 1.00 0.00 C ATOM 1114 C ARG A 240 -0.795 -8.395 9.542 1.00 0.00 C ATOM 1115 O ARG A 240 -0.153 -7.989 10.491 1.00 0.00 O ATOM 1116 CB ARG A 240 -1.186 -6.092 8.671 1.00 0.00 C ATOM 1117 CG ARG A 240 -1.904 -5.297 7.561 1.00 0.00 C ATOM 1118 CD ARG A 240 -1.072 -4.051 7.149 1.00 0.00 C ATOM 1119 NE ARG A 240 -0.768 -4.086 5.678 1.00 0.00 N ATOM 1120 CZ ARG A 240 -0.235 -5.137 5.101 1.00 0.00 C ATOM 1121 NH1 ARG A 240 0.103 -6.184 5.802 1.00 0.00 N ATOM 1122 NH2 ARG A 240 -0.032 -5.133 3.812 1.00 0.00 N ATOM 0 H ARG A 240 -3.236 -6.575 10.115 1.00 0.00 H new ATOM 0 HA ARG A 240 -2.022 -7.897 7.830 1.00 0.00 H new ATOM 0 HB2 ARG A 240 -1.262 -5.555 9.617 1.00 0.00 H new ATOM 0 HB3 ARG A 240 -0.125 -6.177 8.437 1.00 0.00 H new ATOM 0 HG2 ARG A 240 -2.063 -5.937 6.693 1.00 0.00 H new ATOM 0 HG3 ARG A 240 -2.888 -4.984 7.910 1.00 0.00 H new ATOM 0 HD2 ARG A 240 -1.623 -3.142 7.391 1.00 0.00 H new ATOM 0 HD3 ARG A 240 -0.143 -4.022 7.718 1.00 0.00 H new ATOM 0 HE ARG A 240 -0.983 -3.267 5.110 1.00 0.00 H new ATOM 0 HH11 ARG A 240 -0.046 -6.192 6.811 1.00 0.00 H new ATOM 0 HH12 ARG A 240 0.516 -6.995 5.341 1.00 0.00 H new ATOM 0 HH21 ARG A 240 -0.287 -4.315 3.258 1.00 0.00 H new ATOM 0 HH22 ARG A 240 0.382 -5.947 3.358 1.00 0.00 H new ATOM 1136 N HIS A 241 -0.622 -9.604 9.073 1.00 0.00 N ATOM 1137 CA HIS A 241 0.372 -10.514 9.704 1.00 0.00 C ATOM 1138 C HIS A 241 1.760 -9.983 9.354 1.00 0.00 C ATOM 1139 O HIS A 241 2.755 -10.312 9.970 1.00 0.00 O ATOM 1140 CB HIS A 241 0.196 -11.934 9.152 1.00 0.00 C ATOM 1141 CG HIS A 241 -1.184 -12.439 9.497 1.00 0.00 C ATOM 1142 ND1 HIS A 241 -1.478 -12.986 10.737 1.00 0.00 N ATOM 1143 CD2 HIS A 241 -2.361 -12.478 8.784 1.00 0.00 C ATOM 1144 CE1 HIS A 241 -2.781 -13.326 10.734 1.00 0.00 C ATOM 1145 NE2 HIS A 241 -3.366 -13.036 9.568 1.00 0.00 N ATOM 0 H HIS A 241 -1.128 -9.998 8.280 1.00 0.00 H new ATOM 0 HA HIS A 241 0.237 -10.550 10.785 1.00 0.00 H new ATOM 0 HB2 HIS A 241 0.336 -11.936 8.071 1.00 0.00 H new ATOM 0 HB3 HIS A 241 0.953 -12.596 9.573 1.00 0.00 H new ATOM 0 HD2 HIS A 241 -2.485 -12.128 7.770 1.00 0.00 H new ATOM 0 HE1 HIS A 241 -3.291 -13.778 11.572 1.00 0.00 H new ATOM 0 HE2 HIS A 241 -4.340 -13.191 9.308 1.00 0.00 H new ATOM 1153 N TYR A 242 1.810 -9.139 8.360 1.00 0.00 N ATOM 1154 CA TYR A 242 3.094 -8.524 7.919 1.00 0.00 C ATOM 1155 C TYR A 242 3.307 -7.216 8.689 1.00 0.00 C ATOM 1156 O TYR A 242 2.608 -6.245 8.475 1.00 0.00 O ATOM 1157 CB TYR A 242 2.984 -8.225 6.420 1.00 0.00 C ATOM 1158 CG TYR A 242 4.116 -7.331 5.959 1.00 0.00 C ATOM 1159 CD1 TYR A 242 5.336 -7.876 5.533 1.00 0.00 C ATOM 1160 CD2 TYR A 242 3.931 -5.944 5.953 1.00 0.00 C ATOM 1161 CE1 TYR A 242 6.366 -7.025 5.098 1.00 0.00 C ATOM 1162 CE2 TYR A 242 4.955 -5.101 5.524 1.00 0.00 C ATOM 1163 CZ TYR A 242 6.175 -5.638 5.097 1.00 0.00 C ATOM 1164 OH TYR A 242 7.186 -4.800 4.668 1.00 0.00 O ATOM 0 H TYR A 242 0.995 -8.843 7.823 1.00 0.00 H new ATOM 0 HA TYR A 242 3.932 -9.195 8.109 1.00 0.00 H new ATOM 0 HB2 TYR A 242 3.001 -9.158 5.857 1.00 0.00 H new ATOM 0 HB3 TYR A 242 2.028 -7.744 6.211 1.00 0.00 H new ATOM 0 HD1 TYR A 242 5.483 -8.946 5.539 1.00 0.00 H new ATOM 0 HD2 TYR A 242 2.991 -5.525 6.282 1.00 0.00 H new ATOM 0 HE1 TYR A 242 7.305 -7.441 4.764 1.00 0.00 H new ATOM 0 HE2 TYR A 242 4.807 -4.031 5.521 1.00 0.00 H new ATOM 0 HH TYR A 242 6.988 -4.486 3.761 1.00 0.00 H new ATOM 1174 N GLN A 243 4.267 -7.170 9.580 1.00 0.00 N ATOM 1175 CA GLN A 243 4.515 -5.908 10.347 1.00 0.00 C ATOM 1176 C GLN A 243 6.017 -5.761 10.593 1.00 0.00 C ATOM 1177 O GLN A 243 6.803 -5.676 9.673 1.00 0.00 O ATOM 1178 CB GLN A 243 3.795 -5.958 11.700 1.00 0.00 C ATOM 1179 CG GLN A 243 2.278 -6.029 11.501 1.00 0.00 C ATOM 1180 CD GLN A 243 1.595 -6.105 12.868 1.00 0.00 C ATOM 1181 OE1 GLN A 243 2.117 -5.613 13.849 1.00 0.00 O ATOM 1182 NE2 GLN A 243 0.441 -6.708 12.979 1.00 0.00 N ATOM 0 H GLN A 243 4.887 -7.947 9.809 1.00 0.00 H new ATOM 0 HA GLN A 243 4.138 -5.063 9.771 1.00 0.00 H new ATOM 0 HB2 GLN A 243 4.134 -6.825 12.267 1.00 0.00 H new ATOM 0 HB3 GLN A 243 4.049 -5.075 12.286 1.00 0.00 H new ATOM 0 HG2 GLN A 243 1.929 -5.152 10.955 1.00 0.00 H new ATOM 0 HG3 GLN A 243 2.018 -6.902 10.902 1.00 0.00 H new ATOM 0 HE21 GLN A 243 0.001 -7.122 12.157 1.00 0.00 H new ATOM 0 HE22 GLN A 243 -0.019 -6.765 13.887 1.00 0.00 H new TER 1191 GLN A 243