USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 427 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 15 CYS SG : rot 137:sc= -2.24! USER MOD Set 1.2: A 18 HIS : no HE2:sc= -5.76! C(o=-17!,f=-21!) USER MOD Set 1.3: A 34 CYS SG : rot 147:sc= -4.86! USER MOD Set 1.4: A 37 CYS SG : rot -31:sc= -4.35! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -139:sc= -1.34 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -130:sc= -0.386 (180deg=-1.77) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0518 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00818) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -18.298 3.503 -13.392 1.00 0.00 N ATOM 2 CA ALA A 2 -17.832 4.594 -14.286 1.00 0.00 C ATOM 3 C ALA A 2 -17.774 4.127 -15.736 1.00 0.00 C ATOM 4 O ALA A 2 -17.180 3.093 -16.042 1.00 0.00 O ATOM 5 CB ALA A 2 -16.469 5.098 -13.838 1.00 0.00 C ATOM 0 HA ALA A 2 -18.549 5.413 -14.223 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -16.140 5.897 -14.502 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -16.539 5.479 -12.819 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.750 4.280 -13.871 1.00 0.00 H new ATOM 10 N SER A 3 -18.391 4.897 -16.627 1.00 0.00 N ATOM 11 CA SER A 3 -18.409 4.560 -18.045 1.00 0.00 C ATOM 12 C SER A 3 -17.345 5.347 -18.805 1.00 0.00 C ATOM 13 O SER A 3 -17.522 5.676 -19.978 1.00 0.00 O ATOM 14 CB SER A 3 -19.790 4.843 -18.641 1.00 0.00 C ATOM 15 OG SER A 3 -20.756 3.937 -18.139 1.00 0.00 O ATOM 0 H SER A 3 -18.885 5.758 -16.392 1.00 0.00 H new ATOM 0 HA SER A 3 -18.189 3.497 -18.142 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.088 5.865 -18.407 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.744 4.766 -19.727 1.00 0.00 H new ATOM 0 HG SER A 3 -21.630 4.139 -18.533 1.00 0.00 H new ATOM 21 N THR A 4 -16.240 5.643 -18.128 1.00 0.00 N ATOM 22 CA THR A 4 -15.147 6.390 -18.740 1.00 0.00 C ATOM 23 C THR A 4 -13.839 6.156 -17.990 1.00 0.00 C ATOM 24 O THR A 4 -13.018 7.063 -17.858 1.00 0.00 O ATOM 25 CB THR A 4 -15.474 7.885 -18.765 1.00 0.00 C ATOM 26 OG1 THR A 4 -16.039 8.295 -17.532 1.00 0.00 O ATOM 27 CG2 THR A 4 -16.440 8.269 -19.864 1.00 0.00 C ATOM 0 H THR A 4 -16.078 5.377 -17.157 1.00 0.00 H new ATOM 0 HA THR A 4 -15.026 6.034 -19.763 1.00 0.00 H new ATOM 0 HB THR A 4 -14.523 8.385 -18.950 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.240 9.254 -17.567 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.628 9.342 -19.824 1.00 0.00 H new ATOM 0 HG22 THR A 4 -16.011 8.011 -20.832 1.00 0.00 H new ATOM 0 HG23 THR A 4 -17.378 7.731 -19.728 1.00 0.00 H new ATOM 35 N SER A 5 -13.654 4.934 -17.500 1.00 0.00 N ATOM 36 CA SER A 5 -12.447 4.582 -16.764 1.00 0.00 C ATOM 37 C SER A 5 -12.278 3.068 -16.683 1.00 0.00 C ATOM 38 O SER A 5 -13.063 2.314 -17.257 1.00 0.00 O ATOM 39 CB SER A 5 -12.491 5.181 -15.356 1.00 0.00 C ATOM 40 OG SER A 5 -11.363 6.004 -15.114 1.00 0.00 O ATOM 0 H SER A 5 -14.325 4.172 -17.600 1.00 0.00 H new ATOM 0 HA SER A 5 -11.592 4.994 -17.300 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.403 5.765 -15.235 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.525 4.380 -14.618 1.00 0.00 H new ATOM 0 HG SER A 5 -11.417 6.375 -14.209 1.00 0.00 H new ATOM 46 N ARG A 6 -11.247 2.631 -15.966 1.00 0.00 N ATOM 47 CA ARG A 6 -10.970 1.207 -15.809 1.00 0.00 C ATOM 48 C ARG A 6 -11.630 0.666 -14.541 1.00 0.00 C ATOM 49 O ARG A 6 -12.542 1.286 -13.993 1.00 0.00 O ATOM 50 CB ARG A 6 -9.460 0.964 -15.765 1.00 0.00 C ATOM 51 CG ARG A 6 -8.687 1.740 -16.820 1.00 0.00 C ATOM 52 CD ARG A 6 -7.212 1.369 -16.817 1.00 0.00 C ATOM 53 NE ARG A 6 -6.888 0.405 -17.865 1.00 0.00 N ATOM 54 CZ ARG A 6 -6.723 0.729 -19.146 1.00 0.00 C ATOM 55 NH1 ARG A 6 -6.851 1.990 -19.540 1.00 0.00 N ATOM 56 NH2 ARG A 6 -6.429 -0.210 -20.034 1.00 0.00 N ATOM 0 H ARG A 6 -10.589 3.243 -15.484 1.00 0.00 H new ATOM 0 HA ARG A 6 -11.387 0.678 -16.666 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -9.085 1.237 -14.778 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.268 -0.101 -15.896 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -9.111 1.540 -17.804 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -8.794 2.809 -16.638 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.612 2.268 -16.954 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.945 0.952 -15.846 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.782 -0.574 -17.600 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.077 2.716 -18.860 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.724 2.233 -20.522 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -6.329 -1.180 -19.736 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.303 0.038 -21.015 1.00 0.00 H new ATOM 70 N LEU A 7 -11.166 -0.494 -14.078 1.00 0.00 N ATOM 71 CA LEU A 7 -11.714 -1.117 -12.875 1.00 0.00 C ATOM 72 C LEU A 7 -11.841 -0.103 -11.738 1.00 0.00 C ATOM 73 O LEU A 7 -10.851 0.488 -11.306 1.00 0.00 O ATOM 74 CB LEU A 7 -10.830 -2.286 -12.433 1.00 0.00 C ATOM 75 CG LEU A 7 -11.240 -3.652 -12.986 1.00 0.00 C ATOM 76 CD1 LEU A 7 -10.514 -3.939 -14.291 1.00 0.00 C ATOM 77 CD2 LEU A 7 -10.958 -4.746 -11.966 1.00 0.00 C ATOM 0 H LEU A 7 -10.412 -1.021 -14.518 1.00 0.00 H new ATOM 0 HA LEU A 7 -12.710 -1.490 -13.115 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.804 -2.081 -12.737 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.836 -2.335 -11.344 1.00 0.00 H new ATOM 0 HG LEU A 7 -12.311 -3.635 -13.186 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.818 -4.915 -14.670 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.765 -3.171 -15.023 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.438 -3.937 -14.117 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -11.256 -5.711 -12.376 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.893 -4.763 -11.735 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -11.523 -4.549 -11.055 1.00 0.00 H new ATOM 89 N ASP A 8 -13.065 0.093 -11.262 1.00 0.00 N ATOM 90 CA ASP A 8 -13.323 1.036 -10.179 1.00 0.00 C ATOM 91 C ASP A 8 -13.243 0.342 -8.823 1.00 0.00 C ATOM 92 O ASP A 8 -12.827 0.942 -7.831 1.00 0.00 O ATOM 93 CB ASP A 8 -14.697 1.683 -10.355 1.00 0.00 C ATOM 94 CG ASP A 8 -14.921 2.193 -11.764 1.00 0.00 C ATOM 95 OD1 ASP A 8 -15.358 1.397 -12.622 1.00 0.00 O ATOM 96 OD2 ASP A 8 -14.658 3.389 -12.010 1.00 0.00 O ATOM 0 H ASP A 8 -13.895 -0.388 -11.609 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.558 1.811 -10.215 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -15.471 0.957 -10.107 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.799 2.510 -9.652 1.00 0.00 H new ATOM 101 N ALA A 9 -13.647 -0.924 -8.785 1.00 0.00 N ATOM 102 CA ALA A 9 -13.621 -1.696 -7.548 1.00 0.00 C ATOM 103 C ALA A 9 -12.312 -2.470 -7.398 1.00 0.00 C ATOM 104 O ALA A 9 -12.184 -3.320 -6.516 1.00 0.00 O ATOM 105 CB ALA A 9 -14.805 -2.650 -7.500 1.00 0.00 C ATOM 0 H ALA A 9 -13.996 -1.436 -9.595 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.691 -0.996 -6.716 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -14.775 -3.221 -6.572 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -15.733 -2.080 -7.546 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -14.756 -3.333 -8.348 1.00 0.00 H new ATOM 111 N LEU A 10 -11.340 -2.171 -8.258 1.00 0.00 N ATOM 112 CA LEU A 10 -10.046 -2.842 -8.211 1.00 0.00 C ATOM 113 C LEU A 10 -10.206 -4.351 -8.384 1.00 0.00 C ATOM 114 O LEU A 10 -11.299 -4.891 -8.215 1.00 0.00 O ATOM 115 CB LEU A 10 -9.338 -2.538 -6.887 1.00 0.00 C ATOM 116 CG LEU A 10 -8.214 -1.504 -6.978 1.00 0.00 C ATOM 117 CD1 LEU A 10 -8.741 -0.193 -7.541 1.00 0.00 C ATOM 118 CD2 LEU A 10 -7.583 -1.284 -5.611 1.00 0.00 C ATOM 0 H LEU A 10 -11.425 -1.470 -8.994 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.439 -2.465 -9.034 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.078 -2.186 -6.169 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.926 -3.466 -6.491 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.448 -1.884 -7.654 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.928 0.531 -7.599 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.148 -0.362 -8.538 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.525 0.193 -6.890 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.785 -0.546 -5.693 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.340 -0.924 -4.914 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.171 -2.224 -5.245 1.00 0.00 H new ATOM 130 N PRO A 11 -9.111 -5.053 -8.724 1.00 0.00 N ATOM 131 CA PRO A 11 -9.134 -6.506 -8.916 1.00 0.00 C ATOM 132 C PRO A 11 -9.231 -7.258 -7.593 1.00 0.00 C ATOM 133 O PRO A 11 -8.217 -7.644 -7.012 1.00 0.00 O ATOM 134 CB PRO A 11 -7.795 -6.789 -9.595 1.00 0.00 C ATOM 135 CG PRO A 11 -6.894 -5.703 -9.117 1.00 0.00 C ATOM 136 CD PRO A 11 -7.765 -4.488 -8.942 1.00 0.00 C ATOM 0 HA PRO A 11 -9.998 -6.832 -9.494 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.411 -7.772 -9.321 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.890 -6.776 -10.681 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.415 -5.979 -8.177 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.098 -5.512 -9.836 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.443 -3.882 -8.095 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.738 -3.845 -9.822 1.00 0.00 H new ATOM 144 N ARG A 12 -10.457 -7.460 -7.120 1.00 0.00 N ATOM 145 CA ARG A 12 -10.682 -8.162 -5.864 1.00 0.00 C ATOM 146 C ARG A 12 -10.015 -7.422 -4.708 1.00 0.00 C ATOM 147 O ARG A 12 -9.443 -6.350 -4.897 1.00 0.00 O ATOM 148 CB ARG A 12 -10.145 -9.592 -5.950 1.00 0.00 C ATOM 149 CG ARG A 12 -11.102 -10.561 -6.623 1.00 0.00 C ATOM 150 CD ARG A 12 -10.359 -11.647 -7.384 1.00 0.00 C ATOM 151 NE ARG A 12 -9.865 -11.171 -8.677 1.00 0.00 N ATOM 152 CZ ARG A 12 -8.622 -10.742 -8.892 1.00 0.00 C ATOM 153 NH1 ARG A 12 -7.734 -10.715 -7.906 1.00 0.00 N ATOM 154 NH2 ARG A 12 -8.267 -10.332 -10.103 1.00 0.00 N ATOM 0 H ARG A 12 -11.308 -7.147 -7.588 1.00 0.00 H new ATOM 0 HA ARG A 12 -11.756 -8.199 -5.680 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.203 -9.585 -6.498 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.926 -9.950 -4.944 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -11.745 -11.018 -5.871 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.751 -10.015 -7.308 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.521 -12.001 -6.784 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.022 -12.498 -7.540 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.514 -11.167 -9.464 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.000 -11.025 -6.971 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.785 -10.384 -8.083 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.945 -10.346 -10.865 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.316 -10.003 -10.272 1.00 0.00 H new ATOM 168 N VAL A 13 -10.088 -8.000 -3.515 1.00 0.00 N ATOM 169 CA VAL A 13 -9.487 -7.387 -2.337 1.00 0.00 C ATOM 170 C VAL A 13 -8.198 -8.099 -1.940 1.00 0.00 C ATOM 171 O VAL A 13 -7.172 -7.459 -1.710 1.00 0.00 O ATOM 172 CB VAL A 13 -10.459 -7.384 -1.140 1.00 0.00 C ATOM 173 CG1 VAL A 13 -11.683 -6.536 -1.447 1.00 0.00 C ATOM 174 CG2 VAL A 13 -10.866 -8.802 -0.767 1.00 0.00 C ATOM 0 H VAL A 13 -10.556 -8.889 -3.338 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.257 -6.355 -2.603 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.944 -6.946 -0.285 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -12.357 -6.546 -0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.373 -5.511 -1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -12.197 -6.942 -2.318 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.552 -8.773 0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.359 -9.275 -1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.980 -9.376 -0.497 1.00 0.00 H new ATOM 184 N THR A 14 -8.252 -9.425 -1.858 1.00 0.00 N ATOM 185 CA THR A 14 -7.091 -10.226 -1.483 1.00 0.00 C ATOM 186 C THR A 14 -6.364 -10.736 -2.726 1.00 0.00 C ATOM 187 O THR A 14 -6.446 -10.131 -3.795 1.00 0.00 O ATOM 188 CB THR A 14 -7.549 -11.407 -0.620 1.00 0.00 C ATOM 189 OG1 THR A 14 -8.795 -11.129 -0.003 1.00 0.00 O ATOM 190 CG2 THR A 14 -6.573 -11.768 0.471 1.00 0.00 C ATOM 0 H THR A 14 -9.093 -9.970 -2.047 1.00 0.00 H new ATOM 0 HA THR A 14 -6.399 -9.604 -0.915 1.00 0.00 H new ATOM 0 HB THR A 14 -7.627 -12.248 -1.309 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.783 -11.457 0.920 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.961 -12.611 1.042 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.615 -12.040 0.027 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.436 -10.914 1.134 1.00 0.00 H new ATOM 198 N CYS A 15 -5.672 -11.865 -2.587 1.00 0.00 N ATOM 199 CA CYS A 15 -4.954 -12.471 -3.702 1.00 0.00 C ATOM 200 C CYS A 15 -5.936 -13.042 -4.721 1.00 0.00 C ATOM 201 O CYS A 15 -6.971 -13.597 -4.348 1.00 0.00 O ATOM 202 CB CYS A 15 -4.052 -13.588 -3.180 1.00 0.00 C ATOM 203 SG CYS A 15 -3.106 -14.464 -4.448 1.00 0.00 S ATOM 0 H CYS A 15 -5.594 -12.379 -1.709 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.349 -11.706 -4.189 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.355 -13.164 -2.457 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.667 -14.310 -2.644 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.890 -14.652 -4.029 1.00 0.00 H new ATOM 209 N PRO A 16 -5.628 -12.925 -6.021 1.00 0.00 N ATOM 210 CA PRO A 16 -6.492 -13.441 -7.082 1.00 0.00 C ATOM 211 C PRO A 16 -6.774 -14.928 -6.911 1.00 0.00 C ATOM 212 O PRO A 16 -7.816 -15.423 -7.340 1.00 0.00 O ATOM 213 CB PRO A 16 -5.693 -13.191 -8.369 1.00 0.00 C ATOM 214 CG PRO A 16 -4.297 -12.930 -7.918 1.00 0.00 C ATOM 215 CD PRO A 16 -4.421 -12.288 -6.568 1.00 0.00 C ATOM 0 HA PRO A 16 -7.468 -12.956 -7.082 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.737 -14.054 -9.034 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.093 -12.341 -8.922 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.724 -13.856 -7.860 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.776 -12.276 -8.617 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.546 -12.477 -5.947 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.531 -11.206 -6.642 1.00 0.00 H new ATOM 223 N ASN A 17 -5.841 -15.642 -6.290 1.00 0.00 N ATOM 224 CA ASN A 17 -5.994 -17.071 -6.073 1.00 0.00 C ATOM 225 C ASN A 17 -5.984 -17.419 -4.582 1.00 0.00 C ATOM 226 O ASN A 17 -6.225 -18.567 -4.209 1.00 0.00 O ATOM 227 CB ASN A 17 -4.879 -17.835 -6.793 1.00 0.00 C ATOM 228 CG ASN A 17 -5.394 -18.640 -7.969 1.00 0.00 C ATOM 229 OD1 ASN A 17 -5.442 -18.151 -9.098 1.00 0.00 O ATOM 230 ND2 ASN A 17 -5.785 -19.883 -7.711 1.00 0.00 N ATOM 0 H ASN A 17 -4.971 -15.251 -5.929 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.961 -17.367 -6.481 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -4.126 -17.129 -7.142 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.386 -18.503 -6.087 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.142 -20.472 -8.463 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.728 -20.249 -6.760 1.00 0.00 H new ATOM 237 N HIS A 18 -5.716 -16.428 -3.731 1.00 0.00 N ATOM 238 CA HIS A 18 -5.695 -16.658 -2.289 1.00 0.00 C ATOM 239 C HIS A 18 -6.569 -15.645 -1.554 1.00 0.00 C ATOM 240 O HIS A 18 -6.089 -14.595 -1.126 1.00 0.00 O ATOM 241 CB HIS A 18 -4.276 -16.597 -1.727 1.00 0.00 C ATOM 242 CG HIS A 18 -3.337 -17.641 -2.247 1.00 0.00 C ATOM 243 ND1 HIS A 18 -2.154 -17.326 -2.880 1.00 0.00 N ATOM 244 CD2 HIS A 18 -3.368 -18.990 -2.160 1.00 0.00 C ATOM 245 CE1 HIS A 18 -1.491 -18.433 -3.153 1.00 0.00 C ATOM 246 NE2 HIS A 18 -2.207 -19.460 -2.729 1.00 0.00 N ATOM 0 H HIS A 18 -5.513 -15.469 -4.012 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.093 -17.660 -2.128 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.858 -15.614 -1.946 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.328 -16.687 -0.642 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -1.839 -16.382 -3.103 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.156 -19.587 -1.725 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.528 -18.490 -3.639 1.00 0.00 H new ATOM 255 N PRO A 19 -7.865 -15.946 -1.380 1.00 0.00 N ATOM 256 CA PRO A 19 -8.789 -15.051 -0.681 1.00 0.00 C ATOM 257 C PRO A 19 -8.375 -14.821 0.769 1.00 0.00 C ATOM 258 O PRO A 19 -8.592 -13.744 1.324 1.00 0.00 O ATOM 259 CB PRO A 19 -10.134 -15.786 -0.744 1.00 0.00 C ATOM 260 CG PRO A 19 -9.786 -17.210 -1.018 1.00 0.00 C ATOM 261 CD PRO A 19 -8.529 -17.178 -1.838 1.00 0.00 C ATOM 0 HA PRO A 19 -8.816 -14.061 -1.136 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.681 -15.687 0.193 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.770 -15.377 -1.529 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.632 -17.760 -0.089 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.590 -17.712 -1.556 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.911 -18.058 -1.663 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.745 -17.147 -2.906 1.00 0.00 H new ATOM 269 N ASP A 20 -7.778 -15.844 1.376 1.00 0.00 N ATOM 270 CA ASP A 20 -7.333 -15.758 2.764 1.00 0.00 C ATOM 271 C ASP A 20 -5.929 -15.165 2.864 1.00 0.00 C ATOM 272 O ASP A 20 -5.526 -14.685 3.924 1.00 0.00 O ATOM 273 CB ASP A 20 -7.364 -17.142 3.415 1.00 0.00 C ATOM 274 CG ASP A 20 -8.552 -17.320 4.339 1.00 0.00 C ATOM 275 OD1 ASP A 20 -9.624 -17.743 3.855 1.00 0.00 O ATOM 276 OD2 ASP A 20 -8.413 -17.038 5.548 1.00 0.00 O ATOM 0 H ASP A 20 -7.591 -16.741 0.929 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.017 -15.095 3.293 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.394 -17.905 2.638 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.443 -17.296 3.978 1.00 0.00 H new ATOM 281 N ALA A 21 -5.184 -15.194 1.760 1.00 0.00 N ATOM 282 CA ALA A 21 -3.829 -14.652 1.745 1.00 0.00 C ATOM 283 C ALA A 21 -3.848 -13.151 1.473 1.00 0.00 C ATOM 284 O ALA A 21 -3.721 -12.708 0.331 1.00 0.00 O ATOM 285 CB ALA A 21 -2.988 -15.375 0.717 1.00 0.00 C ATOM 0 H ALA A 21 -5.494 -15.585 0.870 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.383 -14.808 2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.980 -14.961 0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.945 -16.436 0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.433 -15.250 -0.270 1.00 0.00 H new ATOM 291 N ILE A 22 -4.067 -12.411 2.549 1.00 0.00 N ATOM 292 CA ILE A 22 -4.172 -10.953 2.505 1.00 0.00 C ATOM 293 C ILE A 22 -2.888 -10.253 2.054 1.00 0.00 C ATOM 294 O ILE A 22 -2.111 -9.785 2.886 1.00 0.00 O ATOM 295 CB ILE A 22 -4.584 -10.367 3.873 1.00 0.00 C ATOM 296 CG1 ILE A 22 -5.604 -11.265 4.583 1.00 0.00 C ATOM 297 CG2 ILE A 22 -5.154 -8.973 3.682 1.00 0.00 C ATOM 298 CD1 ILE A 22 -6.833 -11.562 3.754 1.00 0.00 C ATOM 0 H ILE A 22 -4.178 -12.803 3.484 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.944 -10.761 1.760 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.696 -10.313 4.503 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.122 -12.205 4.852 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.911 -10.787 5.513 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.444 -8.563 4.649 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.400 -8.331 3.226 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.028 -9.023 3.033 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.509 -12.202 4.321 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.339 -10.629 3.507 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.538 -12.069 2.835 1.00 0.00 H new ATOM 310 N LEU A 23 -2.686 -10.169 0.730 1.00 0.00 N ATOM 311 CA LEU A 23 -1.502 -9.493 0.173 1.00 0.00 C ATOM 312 C LEU A 23 -1.115 -8.317 1.059 1.00 0.00 C ATOM 313 O LEU A 23 -1.846 -7.341 1.161 1.00 0.00 O ATOM 314 CB LEU A 23 -1.764 -8.971 -1.245 1.00 0.00 C ATOM 315 CG LEU A 23 -1.441 -9.935 -2.385 1.00 0.00 C ATOM 316 CD1 LEU A 23 -2.685 -10.726 -2.743 1.00 0.00 C ATOM 317 CD2 LEU A 23 -0.904 -9.171 -3.584 1.00 0.00 C ATOM 0 H LEU A 23 -3.319 -10.556 0.031 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.695 -10.225 0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.815 -8.691 -1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.181 -8.061 -1.389 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.667 -10.634 -2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.457 -11.415 -3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.020 -11.291 -1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.473 -10.042 -3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.678 -9.870 -4.389 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.652 -8.455 -3.924 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.004 -8.639 -3.300 1.00 0.00 H new ATOM 329 N VAL A 24 0.015 -8.421 1.719 1.00 0.00 N ATOM 330 CA VAL A 24 0.459 -7.365 2.610 1.00 0.00 C ATOM 331 C VAL A 24 0.947 -6.175 1.832 1.00 0.00 C ATOM 332 O VAL A 24 1.205 -6.257 0.636 1.00 0.00 O ATOM 333 CB VAL A 24 1.536 -7.875 3.567 1.00 0.00 C ATOM 334 CG1 VAL A 24 1.670 -6.961 4.778 1.00 0.00 C ATOM 335 CG2 VAL A 24 1.177 -9.297 3.982 1.00 0.00 C ATOM 0 H VAL A 24 0.644 -9.222 1.659 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.396 -7.046 3.207 1.00 0.00 H new ATOM 0 HB VAL A 24 2.504 -7.876 3.066 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.443 -7.348 5.442 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.943 -5.958 4.449 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.720 -6.922 5.311 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.935 -9.679 4.666 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.207 -9.297 4.479 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.132 -9.934 3.098 1.00 0.00 H new ATOM 345 N GLU A 25 1.043 -5.066 2.521 1.00 0.00 N ATOM 346 CA GLU A 25 1.466 -3.847 1.904 1.00 0.00 C ATOM 347 C GLU A 25 2.964 -3.707 1.964 1.00 0.00 C ATOM 348 O GLU A 25 3.486 -3.170 2.919 1.00 0.00 O ATOM 349 CB GLU A 25 0.789 -2.648 2.562 1.00 0.00 C ATOM 350 CG GLU A 25 -0.407 -2.127 1.781 1.00 0.00 C ATOM 351 CD GLU A 25 -0.400 -0.619 1.636 1.00 0.00 C ATOM 352 OE1 GLU A 25 -0.357 0.077 2.673 1.00 0.00 O ATOM 353 OE2 GLU A 25 -0.436 -0.132 0.486 1.00 0.00 O ATOM 0 H GLU A 25 0.831 -4.988 3.516 1.00 0.00 H new ATOM 0 HA GLU A 25 1.169 -3.878 0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.465 -2.928 3.564 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.518 -1.845 2.675 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.415 -2.583 0.791 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.325 -2.435 2.282 1.00 0.00 H new ATOM 360 N ASP A 26 3.628 -4.233 0.939 1.00 0.00 N ATOM 361 CA ASP A 26 5.087 -4.185 0.808 1.00 0.00 C ATOM 362 C ASP A 26 5.759 -5.546 0.946 1.00 0.00 C ATOM 363 O ASP A 26 5.992 -6.027 2.054 1.00 0.00 O ATOM 364 CB ASP A 26 5.737 -3.193 1.782 1.00 0.00 C ATOM 365 CG ASP A 26 5.277 -1.765 1.551 1.00 0.00 C ATOM 366 OD1 ASP A 26 4.267 -1.574 0.842 1.00 0.00 O ATOM 367 OD2 ASP A 26 5.929 -0.840 2.078 1.00 0.00 O ATOM 0 H ASP A 26 3.166 -4.711 0.165 1.00 0.00 H new ATOM 0 HA ASP A 26 5.251 -3.835 -0.211 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.501 -3.486 2.805 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.821 -3.244 1.678 1.00 0.00 H new ATOM 372 N TYR A 27 6.094 -6.142 -0.198 1.00 0.00 N ATOM 373 CA TYR A 27 6.777 -7.430 -0.233 1.00 0.00 C ATOM 374 C TYR A 27 8.218 -7.250 0.213 1.00 0.00 C ATOM 375 O TYR A 27 9.039 -6.702 -0.525 1.00 0.00 O ATOM 376 CB TYR A 27 6.721 -8.024 -1.654 1.00 0.00 C ATOM 377 CG TYR A 27 8.059 -8.445 -2.230 1.00 0.00 C ATOM 378 CD1 TYR A 27 8.623 -9.670 -1.901 1.00 0.00 C ATOM 379 CD2 TYR A 27 8.754 -7.613 -3.100 1.00 0.00 C ATOM 380 CE1 TYR A 27 9.844 -10.056 -2.424 1.00 0.00 C ATOM 381 CE2 TYR A 27 9.973 -7.993 -3.627 1.00 0.00 C ATOM 382 CZ TYR A 27 10.514 -9.214 -3.285 1.00 0.00 C ATOM 383 OH TYR A 27 11.728 -9.595 -3.808 1.00 0.00 O ATOM 0 H TYR A 27 5.900 -5.748 -1.119 1.00 0.00 H new ATOM 0 HA TYR A 27 6.279 -8.122 0.446 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.059 -8.890 -1.643 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.272 -7.288 -2.321 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.100 -10.332 -1.226 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.334 -6.655 -3.368 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.270 -11.012 -2.159 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.500 -7.337 -4.304 1.00 0.00 H new ATOM 0 HH TYR A 27 12.066 -8.889 -4.397 1.00 0.00 H new ATOM 393 N ARG A 28 8.528 -7.689 1.428 1.00 0.00 N ATOM 394 CA ARG A 28 9.878 -7.542 1.953 1.00 0.00 C ATOM 395 C ARG A 28 10.367 -6.115 1.727 1.00 0.00 C ATOM 396 O ARG A 28 11.544 -5.885 1.449 1.00 0.00 O ATOM 397 CB ARG A 28 10.815 -8.534 1.263 1.00 0.00 C ATOM 398 CG ARG A 28 11.943 -9.029 2.155 1.00 0.00 C ATOM 399 CD ARG A 28 13.289 -8.975 1.448 1.00 0.00 C ATOM 400 NE ARG A 28 14.265 -8.178 2.188 1.00 0.00 N ATOM 401 CZ ARG A 28 15.362 -7.659 1.645 1.00 0.00 C ATOM 402 NH1 ARG A 28 15.634 -7.855 0.361 1.00 0.00 N ATOM 403 NH2 ARG A 28 16.194 -6.942 2.388 1.00 0.00 N ATOM 0 H ARG A 28 7.870 -8.144 2.061 1.00 0.00 H new ATOM 0 HA ARG A 28 9.871 -7.749 3.023 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.234 -9.389 0.918 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.243 -8.062 0.379 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.983 -8.423 3.060 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.737 -10.053 2.467 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.671 -9.988 1.319 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.158 -8.554 0.451 1.00 0.00 H new ATOM 0 HE ARG A 28 14.095 -8.010 3.180 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.000 -8.407 -0.216 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.478 -7.454 -0.049 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.992 -6.789 3.376 1.00 0.00 H new ATOM 0 HH22 ARG A 28 17.036 -6.544 1.971 1.00 0.00 H new ATOM 417 N ALA A 29 9.430 -5.169 1.823 1.00 0.00 N ATOM 418 CA ALA A 29 9.710 -3.750 1.609 1.00 0.00 C ATOM 419 C ALA A 29 9.493 -3.386 0.145 1.00 0.00 C ATOM 420 O ALA A 29 10.266 -2.626 -0.440 1.00 0.00 O ATOM 421 CB ALA A 29 11.123 -3.385 2.050 1.00 0.00 C ATOM 0 H ALA A 29 8.456 -5.367 2.051 1.00 0.00 H new ATOM 0 HA ALA A 29 9.017 -3.175 2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.295 -2.323 1.876 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.240 -3.603 3.112 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.845 -3.968 1.478 1.00 0.00 H new ATOM 427 N GLY A 30 8.436 -3.944 -0.446 1.00 0.00 N ATOM 428 CA GLY A 30 8.134 -3.677 -1.841 1.00 0.00 C ATOM 429 C GLY A 30 6.668 -3.359 -2.081 1.00 0.00 C ATOM 430 O GLY A 30 6.140 -2.386 -1.543 1.00 0.00 O ATOM 0 H GLY A 30 7.784 -4.576 0.019 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.742 -2.841 -2.185 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.415 -4.543 -2.440 1.00 0.00 H new ATOM 434 N ASP A 31 6.017 -4.174 -2.912 1.00 0.00 N ATOM 435 CA ASP A 31 4.606 -3.977 -3.248 1.00 0.00 C ATOM 436 C ASP A 31 3.713 -4.917 -2.442 1.00 0.00 C ATOM 437 O ASP A 31 4.068 -5.326 -1.342 1.00 0.00 O ATOM 438 CB ASP A 31 4.382 -4.163 -4.755 1.00 0.00 C ATOM 439 CG ASP A 31 5.635 -3.916 -5.583 1.00 0.00 C ATOM 440 OD1 ASP A 31 6.556 -3.235 -5.084 1.00 0.00 O ATOM 441 OD2 ASP A 31 5.687 -4.388 -6.737 1.00 0.00 O ATOM 0 H ASP A 31 6.446 -4.980 -3.366 1.00 0.00 H new ATOM 0 HA ASP A 31 4.333 -2.955 -2.985 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.026 -5.176 -4.940 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.596 -3.484 -5.085 1.00 0.00 H new ATOM 446 N MET A 32 2.548 -5.245 -2.979 1.00 0.00 N ATOM 447 CA MET A 32 1.610 -6.115 -2.288 1.00 0.00 C ATOM 448 C MET A 32 2.046 -7.578 -2.343 1.00 0.00 C ATOM 449 O MET A 32 2.076 -8.191 -3.399 1.00 0.00 O ATOM 450 CB MET A 32 0.240 -5.953 -2.912 1.00 0.00 C ATOM 451 CG MET A 32 -0.414 -4.618 -2.588 1.00 0.00 C ATOM 452 SD MET A 32 -2.015 -4.805 -1.775 1.00 0.00 S ATOM 453 CE MET A 32 -2.880 -5.835 -2.957 1.00 0.00 C ATOM 0 H MET A 32 2.230 -4.921 -3.892 1.00 0.00 H new ATOM 0 HA MET A 32 1.581 -5.828 -1.237 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.327 -6.054 -3.994 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.407 -6.760 -2.567 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.250 -4.039 -1.945 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.543 -4.048 -3.508 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.853 -5.396 -3.178 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.296 -5.905 -3.875 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.018 -6.832 -2.538 1.00 0.00 H new ATOM 463 N ILE A 33 2.427 -8.109 -1.196 1.00 0.00 N ATOM 464 CA ILE A 33 2.914 -9.475 -1.101 1.00 0.00 C ATOM 465 C ILE A 33 1.882 -10.430 -0.540 1.00 0.00 C ATOM 466 O ILE A 33 1.445 -10.298 0.599 1.00 0.00 O ATOM 467 CB ILE A 33 4.170 -9.495 -0.212 1.00 0.00 C ATOM 468 CG1 ILE A 33 5.020 -10.749 -0.444 1.00 0.00 C ATOM 469 CG2 ILE A 33 3.787 -9.356 1.249 1.00 0.00 C ATOM 470 CD1 ILE A 33 4.429 -12.016 0.136 1.00 0.00 C ATOM 0 H ILE A 33 2.408 -7.609 -0.307 1.00 0.00 H new ATOM 0 HA ILE A 33 3.144 -9.814 -2.111 1.00 0.00 H new ATOM 0 HB ILE A 33 4.786 -8.640 -0.492 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.161 -10.885 -1.516 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.007 -10.590 -0.010 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.687 -9.372 1.864 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.261 -8.413 1.399 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.137 -10.183 1.535 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.092 -12.855 -0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.314 -11.903 1.214 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.455 -12.203 -0.315 1.00 0.00 H new ATOM 482 N CYS A 34 1.526 -11.416 -1.339 1.00 0.00 N ATOM 483 CA CYS A 34 0.581 -12.422 -0.912 1.00 0.00 C ATOM 484 C CYS A 34 1.334 -13.512 -0.169 1.00 0.00 C ATOM 485 O CYS A 34 1.880 -14.405 -0.797 1.00 0.00 O ATOM 486 CB CYS A 34 -0.139 -13.029 -2.112 1.00 0.00 C ATOM 487 SG CYS A 34 -1.215 -14.410 -1.699 1.00 0.00 S ATOM 0 H CYS A 34 1.879 -11.540 -2.288 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.163 -11.962 -0.261 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.731 -12.253 -2.598 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.603 -13.364 -2.836 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.243 -14.412 -2.495 1.00 0.00 H new ATOM 493 N PRO A 35 1.368 -13.469 1.173 1.00 0.00 N ATOM 494 CA PRO A 35 2.077 -14.463 1.987 1.00 0.00 C ATOM 495 C PRO A 35 1.840 -15.905 1.549 1.00 0.00 C ATOM 496 O PRO A 35 2.534 -16.810 2.005 1.00 0.00 O ATOM 497 CB PRO A 35 1.523 -14.238 3.405 1.00 0.00 C ATOM 498 CG PRO A 35 0.405 -13.258 3.253 1.00 0.00 C ATOM 499 CD PRO A 35 0.717 -12.468 2.019 1.00 0.00 C ATOM 0 HA PRO A 35 3.156 -14.332 1.901 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.168 -15.173 3.839 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.295 -13.851 4.070 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.553 -13.770 3.158 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.334 -12.608 4.125 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.183 -12.064 1.555 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.373 -11.624 2.230 1.00 0.00 H new ATOM 507 N GLU A 36 0.879 -16.123 0.665 1.00 0.00 N ATOM 508 CA GLU A 36 0.584 -17.462 0.194 1.00 0.00 C ATOM 509 C GLU A 36 1.410 -17.793 -1.036 1.00 0.00 C ATOM 510 O GLU A 36 2.290 -18.643 -0.985 1.00 0.00 O ATOM 511 CB GLU A 36 -0.904 -17.602 -0.106 1.00 0.00 C ATOM 512 CG GLU A 36 -1.716 -18.144 1.060 1.00 0.00 C ATOM 513 CD GLU A 36 -1.137 -19.420 1.630 1.00 0.00 C ATOM 514 OE1 GLU A 36 -0.306 -20.049 0.946 1.00 0.00 O ATOM 515 OE2 GLU A 36 -1.514 -19.791 2.761 1.00 0.00 O ATOM 0 H GLU A 36 0.293 -15.391 0.262 1.00 0.00 H new ATOM 0 HA GLU A 36 0.847 -18.169 0.980 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.301 -16.628 -0.392 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.032 -18.262 -0.964 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.765 -17.390 1.845 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.739 -18.329 0.731 1.00 0.00 H new ATOM 522 N CYS A 37 1.195 -17.065 -2.116 1.00 0.00 N ATOM 523 CA CYS A 37 1.992 -17.272 -3.318 1.00 0.00 C ATOM 524 C CYS A 37 3.172 -16.333 -3.259 1.00 0.00 C ATOM 525 O CYS A 37 4.176 -16.523 -3.935 1.00 0.00 O ATOM 526 CB CYS A 37 1.184 -17.009 -4.595 1.00 0.00 C ATOM 527 SG CYS A 37 0.150 -15.527 -4.536 1.00 0.00 S ATOM 0 H CYS A 37 0.487 -16.335 -2.190 1.00 0.00 H new ATOM 0 HA CYS A 37 2.316 -18.312 -3.353 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.874 -16.922 -5.435 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.549 -17.872 -4.792 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.248 -15.324 -3.315 1.00 0.00 H new ATOM 533 N GLY A 38 3.005 -15.306 -2.438 1.00 0.00 N ATOM 534 CA GLY A 38 4.007 -14.296 -2.255 1.00 0.00 C ATOM 535 C GLY A 38 4.188 -13.476 -3.504 1.00 0.00 C ATOM 536 O GLY A 38 5.301 -13.113 -3.883 1.00 0.00 O ATOM 0 H GLY A 38 2.162 -15.160 -1.883 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.724 -13.645 -1.427 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.953 -14.764 -1.984 1.00 0.00 H new ATOM 540 N LEU A 39 3.061 -13.184 -4.134 1.00 0.00 N ATOM 541 CA LEU A 39 3.014 -12.398 -5.350 1.00 0.00 C ATOM 542 C LEU A 39 3.144 -10.918 -5.012 1.00 0.00 C ATOM 543 O LEU A 39 2.745 -10.499 -3.926 1.00 0.00 O ATOM 544 CB LEU A 39 1.681 -12.647 -6.040 1.00 0.00 C ATOM 545 CG LEU A 39 0.537 -11.826 -5.454 1.00 0.00 C ATOM 546 CD1 LEU A 39 0.385 -10.554 -6.238 1.00 0.00 C ATOM 547 CD2 LEU A 39 -0.765 -12.603 -5.421 1.00 0.00 C ATOM 0 H LEU A 39 2.144 -13.491 -3.809 1.00 0.00 H new ATOM 0 HA LEU A 39 3.835 -12.685 -6.008 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.780 -12.415 -7.100 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.434 -13.706 -5.967 1.00 0.00 H new ATOM 0 HG LEU A 39 0.782 -11.588 -4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.432 -9.965 -5.821 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.310 -9.980 -6.184 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.166 -10.792 -7.279 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.551 -11.978 -4.996 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.041 -12.894 -6.435 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.640 -13.496 -4.809 1.00 0.00 H new ATOM 559 N VAL A 40 3.722 -10.139 -5.920 1.00 0.00 N ATOM 560 CA VAL A 40 3.923 -8.717 -5.685 1.00 0.00 C ATOM 561 C VAL A 40 3.113 -7.841 -6.648 1.00 0.00 C ATOM 562 O VAL A 40 3.411 -7.776 -7.839 1.00 0.00 O ATOM 563 CB VAL A 40 5.417 -8.367 -5.818 1.00 0.00 C ATOM 564 CG1 VAL A 40 5.667 -6.909 -5.487 1.00 0.00 C ATOM 565 CG2 VAL A 40 6.258 -9.272 -4.929 1.00 0.00 C ATOM 0 H VAL A 40 4.059 -10.470 -6.824 1.00 0.00 H new ATOM 0 HA VAL A 40 3.572 -8.511 -4.674 1.00 0.00 H new ATOM 0 HB VAL A 40 5.712 -8.530 -6.855 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.730 -6.690 -5.589 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.099 -6.278 -6.171 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.352 -6.709 -4.463 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.311 -9.010 -5.036 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.956 -9.144 -3.890 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.111 -10.311 -5.224 1.00 0.00 H new ATOM 575 N VAL A 41 2.094 -7.154 -6.119 1.00 0.00 N ATOM 576 CA VAL A 41 1.261 -6.265 -6.938 1.00 0.00 C ATOM 577 C VAL A 41 1.572 -4.800 -6.660 1.00 0.00 C ATOM 578 O VAL A 41 1.728 -4.395 -5.511 1.00 0.00 O ATOM 579 CB VAL A 41 -0.254 -6.453 -6.688 1.00 0.00 C ATOM 580 CG1 VAL A 41 -1.072 -5.646 -7.679 1.00 0.00 C ATOM 581 CG2 VAL A 41 -0.640 -7.908 -6.756 1.00 0.00 C ATOM 0 H VAL A 41 1.827 -7.195 -5.135 1.00 0.00 H new ATOM 0 HA VAL A 41 1.498 -6.533 -7.968 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.469 -6.088 -5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.134 -5.796 -7.482 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.829 -4.588 -7.575 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.842 -5.973 -8.693 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.710 -8.009 -6.576 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.399 -8.303 -7.743 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.091 -8.466 -5.998 1.00 0.00 H new ATOM 591 N GLY A 42 1.629 -4.001 -7.713 1.00 0.00 N ATOM 592 CA GLY A 42 1.886 -2.588 -7.553 1.00 0.00 C ATOM 593 C GLY A 42 3.300 -2.201 -7.855 1.00 0.00 C ATOM 594 O GLY A 42 4.169 -2.245 -6.988 1.00 0.00 O ATOM 0 H GLY A 42 1.501 -4.307 -8.677 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.217 -2.029 -8.207 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.649 -2.297 -6.530 1.00 0.00 H new ATOM 598 N ASP A 43 3.521 -1.800 -9.077 1.00 0.00 N ATOM 599 CA ASP A 43 4.830 -1.379 -9.502 1.00 0.00 C ATOM 600 C ASP A 43 4.749 0.028 -10.062 1.00 0.00 C ATOM 601 O ASP A 43 4.234 0.238 -11.159 1.00 0.00 O ATOM 602 CB ASP A 43 5.369 -2.353 -10.539 1.00 0.00 C ATOM 603 CG ASP A 43 6.845 -2.642 -10.354 1.00 0.00 C ATOM 604 OD1 ASP A 43 7.641 -1.679 -10.348 1.00 0.00 O ATOM 605 OD2 ASP A 43 7.206 -3.829 -10.211 1.00 0.00 O ATOM 0 H ASP A 43 2.805 -1.755 -9.802 1.00 0.00 H new ATOM 0 HA ASP A 43 5.514 -1.373 -8.653 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.809 -3.287 -10.481 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.205 -1.944 -11.536 1.00 0.00 H new ATOM 610 N ARG A 44 5.259 0.995 -9.306 1.00 0.00 N ATOM 611 CA ARG A 44 5.236 2.388 -9.737 1.00 0.00 C ATOM 612 C ARG A 44 6.280 3.209 -8.980 1.00 0.00 C ATOM 613 O ARG A 44 6.579 2.935 -7.817 1.00 0.00 O ATOM 614 CB ARG A 44 3.825 2.971 -9.542 1.00 0.00 C ATOM 615 CG ARG A 44 3.787 4.339 -8.870 1.00 0.00 C ATOM 616 CD ARG A 44 3.997 4.228 -7.368 1.00 0.00 C ATOM 617 NE ARG A 44 3.093 5.098 -6.621 1.00 0.00 N ATOM 618 CZ ARG A 44 1.815 4.812 -6.384 1.00 0.00 C ATOM 619 NH1 ARG A 44 1.286 3.681 -6.835 1.00 0.00 N ATOM 620 NH2 ARG A 44 1.063 5.658 -5.693 1.00 0.00 N ATOM 0 H ARG A 44 5.692 0.841 -8.395 1.00 0.00 H new ATOM 0 HA ARG A 44 5.488 2.433 -10.797 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.340 3.046 -10.515 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.237 2.272 -8.946 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.558 4.978 -9.300 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.828 4.817 -9.070 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.845 3.195 -7.057 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.028 4.485 -7.127 1.00 0.00 H new ATOM 0 HE ARG A 44 3.463 5.977 -6.259 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.860 3.026 -7.366 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.306 3.467 -6.650 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.464 6.528 -5.343 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.084 5.439 -5.512 1.00 0.00 H new ATOM 634 N VAL A 45 6.828 4.219 -9.651 1.00 0.00 N ATOM 635 CA VAL A 45 7.836 5.085 -9.049 1.00 0.00 C ATOM 636 C VAL A 45 8.287 6.163 -10.032 1.00 0.00 C ATOM 637 O VAL A 45 9.474 6.465 -10.138 1.00 0.00 O ATOM 638 CB VAL A 45 9.062 4.278 -8.576 1.00 0.00 C ATOM 639 CG1 VAL A 45 9.756 3.607 -9.754 1.00 0.00 C ATOM 640 CG2 VAL A 45 10.029 5.173 -7.813 1.00 0.00 C ATOM 0 H VAL A 45 6.590 4.457 -10.614 1.00 0.00 H new ATOM 0 HA VAL A 45 7.375 5.560 -8.183 1.00 0.00 H new ATOM 0 HB VAL A 45 8.717 3.495 -7.900 1.00 0.00 H new ATOM 0 HG11 VAL A 45 10.618 3.044 -9.396 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.060 2.930 -10.249 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.088 4.367 -10.462 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.888 4.586 -7.487 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.367 5.981 -8.462 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.526 5.594 -6.943 1.00 0.00 H new ATOM 650 N ILE A 46 7.328 6.738 -10.752 1.00 0.00 N ATOM 651 CA ILE A 46 7.626 7.781 -11.727 1.00 0.00 C ATOM 652 C ILE A 46 7.600 9.164 -11.083 1.00 0.00 C ATOM 653 O ILE A 46 8.648 9.763 -10.838 1.00 0.00 O ATOM 654 CB ILE A 46 6.634 7.748 -12.908 1.00 0.00 C ATOM 655 CG1 ILE A 46 6.559 6.339 -13.499 1.00 0.00 C ATOM 656 CG2 ILE A 46 7.038 8.756 -13.974 1.00 0.00 C ATOM 657 CD1 ILE A 46 5.366 6.127 -14.408 1.00 0.00 C ATOM 0 H ILE A 46 6.339 6.499 -10.678 1.00 0.00 H new ATOM 0 HA ILE A 46 8.629 7.584 -12.104 1.00 0.00 H new ATOM 0 HB ILE A 46 5.646 8.021 -12.538 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.472 6.140 -14.059 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.519 5.614 -12.686 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.327 8.718 -14.799 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.042 9.758 -13.544 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.035 8.515 -14.343 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.377 5.106 -14.791 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.447 6.294 -13.847 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.415 6.828 -15.242 1.00 0.00 H new ATOM 669 N ASP A 47 6.398 9.669 -10.811 1.00 0.00 N ATOM 670 CA ASP A 47 6.237 10.984 -10.195 1.00 0.00 C ATOM 671 C ASP A 47 4.767 11.386 -10.152 1.00 0.00 C ATOM 672 O ASP A 47 4.025 11.170 -11.111 1.00 0.00 O ATOM 673 CB ASP A 47 7.040 12.041 -10.959 1.00 0.00 C ATOM 674 CG ASP A 47 6.867 11.927 -12.462 1.00 0.00 C ATOM 675 OD1 ASP A 47 5.724 12.074 -12.942 1.00 0.00 O ATOM 676 OD2 ASP A 47 7.876 11.689 -13.159 1.00 0.00 O ATOM 0 H ASP A 47 5.521 9.187 -11.008 1.00 0.00 H new ATOM 0 HA ASP A 47 6.614 10.922 -9.174 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.728 13.034 -10.635 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.096 11.941 -10.709 1.00 0.00 H new ATOM 681 N VAL A 48 4.350 11.974 -9.035 1.00 0.00 N ATOM 682 CA VAL A 48 2.968 12.407 -8.869 1.00 0.00 C ATOM 683 C VAL A 48 2.871 13.561 -7.875 1.00 0.00 C ATOM 684 O VAL A 48 3.584 13.592 -6.872 1.00 0.00 O ATOM 685 CB VAL A 48 2.069 11.249 -8.393 1.00 0.00 C ATOM 686 CG1 VAL A 48 2.527 10.737 -7.035 1.00 0.00 C ATOM 687 CG2 VAL A 48 0.613 11.687 -8.344 1.00 0.00 C ATOM 0 H VAL A 48 4.950 12.161 -8.232 1.00 0.00 H new ATOM 0 HA VAL A 48 2.620 12.744 -9.846 1.00 0.00 H new ATOM 0 HB VAL A 48 2.154 10.432 -9.109 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.879 9.920 -6.717 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.554 10.379 -7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.476 11.545 -6.305 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.006 10.856 -8.006 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.508 12.523 -7.652 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.293 11.997 -9.339 1.00 0.00 H new ATOM 697 N GLY A 49 1.986 14.510 -8.163 1.00 0.00 N ATOM 698 CA GLY A 49 1.811 15.652 -7.286 1.00 0.00 C ATOM 699 C GLY A 49 2.402 16.923 -7.867 1.00 0.00 C ATOM 700 O GLY A 49 3.310 17.515 -7.286 1.00 0.00 O ATOM 0 H GLY A 49 1.387 14.508 -8.989 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.748 15.802 -7.097 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.279 15.443 -6.324 1.00 0.00 H new ATOM 704 N SER A 50 1.884 17.340 -9.018 1.00 0.00 N ATOM 705 CA SER A 50 2.366 18.547 -9.680 1.00 0.00 C ATOM 706 C SER A 50 1.648 19.784 -9.149 1.00 0.00 C ATOM 707 O SER A 50 0.575 20.147 -9.632 1.00 0.00 O ATOM 708 CB SER A 50 2.166 18.438 -11.193 1.00 0.00 C ATOM 709 OG SER A 50 2.745 19.543 -11.865 1.00 0.00 O ATOM 0 H SER A 50 1.131 16.860 -9.511 1.00 0.00 H new ATOM 0 HA SER A 50 3.430 18.647 -9.467 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.613 17.513 -11.556 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.101 18.388 -11.420 1.00 0.00 H new ATOM 0 HG SER A 50 2.605 19.449 -12.830 1.00 0.00 H new ATOM 715 N GLU A 51 2.247 20.428 -8.153 1.00 0.00 N ATOM 716 CA GLU A 51 1.667 21.626 -7.558 1.00 0.00 C ATOM 717 C GLU A 51 2.689 22.760 -7.512 1.00 0.00 C ATOM 718 O GLU A 51 2.646 23.680 -8.326 1.00 0.00 O ATOM 719 CB GLU A 51 1.149 21.323 -6.149 1.00 0.00 C ATOM 720 CG GLU A 51 -0.334 21.611 -5.972 1.00 0.00 C ATOM 721 CD GLU A 51 -0.594 22.811 -5.082 1.00 0.00 C ATOM 722 OE1 GLU A 51 0.331 23.631 -4.907 1.00 0.00 O ATOM 723 OE2 GLU A 51 -1.723 22.931 -4.562 1.00 0.00 O ATOM 0 H GLU A 51 3.134 20.140 -7.741 1.00 0.00 H new ATOM 0 HA GLU A 51 0.830 21.944 -8.180 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.337 20.274 -5.919 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.714 21.914 -5.428 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.786 21.783 -6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.822 20.735 -5.545 1.00 0.00 H new ATOM 730 N TRP A 52 3.610 22.684 -6.552 1.00 0.00 N ATOM 731 CA TRP A 52 4.646 23.700 -6.398 1.00 0.00 C ATOM 732 C TRP A 52 5.432 23.481 -5.110 1.00 0.00 C ATOM 733 O TRP A 52 6.552 22.971 -5.133 1.00 0.00 O ATOM 734 CB TRP A 52 4.029 25.104 -6.404 1.00 0.00 C ATOM 735 CG TRP A 52 4.438 25.926 -7.587 1.00 0.00 C ATOM 736 CD1 TRP A 52 5.691 26.031 -8.118 1.00 0.00 C ATOM 737 CD2 TRP A 52 3.591 26.760 -8.386 1.00 0.00 C ATOM 738 NE1 TRP A 52 5.676 26.879 -9.199 1.00 0.00 N ATOM 739 CE2 TRP A 52 4.398 27.340 -9.384 1.00 0.00 C ATOM 740 CE3 TRP A 52 2.229 27.072 -8.357 1.00 0.00 C ATOM 741 CZ2 TRP A 52 3.888 28.212 -10.342 1.00 0.00 C ATOM 742 CZ3 TRP A 52 1.724 27.939 -9.308 1.00 0.00 C ATOM 743 CH2 TRP A 52 2.552 28.500 -10.289 1.00 0.00 C ATOM 0 H TRP A 52 3.658 21.928 -5.869 1.00 0.00 H new ATOM 0 HA TRP A 52 5.331 23.613 -7.242 1.00 0.00 H new ATOM 0 HB2 TRP A 52 2.943 25.016 -6.390 1.00 0.00 H new ATOM 0 HB3 TRP A 52 4.319 25.624 -5.491 1.00 0.00 H new ATOM 0 HD1 TRP A 52 6.567 25.522 -7.743 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.484 27.125 -9.771 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.583 26.644 -7.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 4.524 28.645 -11.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 0.673 28.188 -9.294 1.00 0.00 H new ATOM 0 HH2 TRP A 52 2.127 29.174 -11.018 1.00 0.00 H new ATOM 754 N ARG A 53 4.838 23.868 -3.985 1.00 0.00 N ATOM 755 CA ARG A 53 5.480 23.715 -2.686 1.00 0.00 C ATOM 756 C ARG A 53 6.801 24.476 -2.637 1.00 0.00 C ATOM 757 O ARG A 53 7.782 24.078 -3.266 1.00 0.00 O ATOM 758 CB ARG A 53 5.721 22.234 -2.385 1.00 0.00 C ATOM 759 CG ARG A 53 4.529 21.347 -2.702 1.00 0.00 C ATOM 760 CD ARG A 53 4.551 20.068 -1.882 1.00 0.00 C ATOM 761 NE ARG A 53 3.941 18.949 -2.598 1.00 0.00 N ATOM 762 CZ ARG A 53 3.512 17.836 -2.006 1.00 0.00 C ATOM 763 NH1 ARG A 53 3.623 17.690 -0.692 1.00 0.00 N ATOM 764 NH2 ARG A 53 2.971 16.867 -2.732 1.00 0.00 N ATOM 0 H ARG A 53 3.911 24.291 -3.948 1.00 0.00 H new ATOM 0 HA ARG A 53 4.814 24.130 -1.929 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.582 21.891 -2.959 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.976 22.123 -1.331 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.606 21.892 -2.503 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.531 21.100 -3.764 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.581 19.818 -1.628 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.021 20.230 -0.943 1.00 0.00 H new ATOM 0 HE ARG A 53 3.838 19.025 -3.610 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.039 18.433 -0.130 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.293 16.835 -0.244 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.884 16.975 -3.743 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.642 16.014 -2.280 1.00 0.00 H new ATOM 778 N THR A 54 6.819 25.572 -1.887 1.00 0.00 N ATOM 779 CA THR A 54 8.019 26.391 -1.757 1.00 0.00 C ATOM 780 C THR A 54 8.755 26.073 -0.458 1.00 0.00 C ATOM 781 O THR A 54 8.371 25.165 0.279 1.00 0.00 O ATOM 782 CB THR A 54 7.656 27.877 -1.802 1.00 0.00 C ATOM 783 OG1 THR A 54 6.316 28.077 -1.392 1.00 0.00 O ATOM 784 CG2 THR A 54 7.812 28.488 -3.178 1.00 0.00 C ATOM 0 H THR A 54 6.016 25.914 -1.359 1.00 0.00 H new ATOM 0 HA THR A 54 8.679 26.161 -2.594 1.00 0.00 H new ATOM 0 HB THR A 54 8.354 28.367 -1.123 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.103 29.033 -1.426 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.539 29.543 -3.141 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.848 28.393 -3.503 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.162 27.969 -3.882 1.00 0.00 H new ATOM 792 N PHE A 55 9.814 26.827 -0.184 1.00 0.00 N ATOM 793 CA PHE A 55 10.604 26.625 1.026 1.00 0.00 C ATOM 794 C PHE A 55 10.844 27.947 1.748 1.00 0.00 C ATOM 795 O PHE A 55 10.714 28.030 2.969 1.00 0.00 O ATOM 796 CB PHE A 55 11.942 25.967 0.682 1.00 0.00 C ATOM 797 CG PHE A 55 12.831 26.822 -0.176 1.00 0.00 C ATOM 798 CD1 PHE A 55 12.477 27.122 -1.482 1.00 0.00 C ATOM 799 CD2 PHE A 55 14.019 27.327 0.325 1.00 0.00 C ATOM 800 CE1 PHE A 55 13.292 27.908 -2.273 1.00 0.00 C ATOM 801 CE2 PHE A 55 14.839 28.114 -0.462 1.00 0.00 C ATOM 802 CZ PHE A 55 14.475 28.406 -1.762 1.00 0.00 C ATOM 0 H PHE A 55 10.145 27.583 -0.783 1.00 0.00 H new ATOM 0 HA PHE A 55 10.043 25.967 1.690 1.00 0.00 H new ATOM 0 HB2 PHE A 55 12.467 25.726 1.606 1.00 0.00 H new ATOM 0 HB3 PHE A 55 11.752 25.025 0.168 1.00 0.00 H new ATOM 0 HD1 PHE A 55 11.553 26.736 -1.886 1.00 0.00 H new ATOM 0 HD2 PHE A 55 14.308 27.104 1.341 1.00 0.00 H new ATOM 0 HE1 PHE A 55 13.005 28.133 -3.290 1.00 0.00 H new ATOM 0 HE2 PHE A 55 15.764 28.500 -0.060 1.00 0.00 H new ATOM 0 HZ PHE A 55 15.114 29.022 -2.378 1.00 0.00 H new ATOM 812 N SER A 56 11.198 28.979 0.986 1.00 0.00 N ATOM 813 CA SER A 56 11.458 30.297 1.554 1.00 0.00 C ATOM 814 C SER A 56 12.673 30.263 2.474 1.00 0.00 C ATOM 815 O SER A 56 13.146 29.192 2.855 1.00 0.00 O ATOM 816 CB SER A 56 10.235 30.798 2.325 1.00 0.00 C ATOM 817 OG SER A 56 9.065 30.732 1.525 1.00 0.00 O ATOM 0 H SER A 56 11.311 28.927 -0.026 1.00 0.00 H new ATOM 0 HA SER A 56 11.665 30.982 0.732 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.098 30.199 3.225 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.401 31.826 2.648 1.00 0.00 H new ATOM 0 HG SER A 56 8.297 31.056 2.041 1.00 0.00 H new ATOM 823 N ASN A 57 13.177 31.440 2.825 1.00 0.00 N ATOM 824 CA ASN A 57 14.341 31.545 3.700 1.00 0.00 C ATOM 825 C ASN A 57 13.948 32.102 5.065 1.00 0.00 C ATOM 826 O ASN A 57 13.935 31.378 6.060 1.00 0.00 O ATOM 827 CB ASN A 57 15.409 32.432 3.059 1.00 0.00 C ATOM 828 CG ASN A 57 16.669 32.519 3.897 1.00 0.00 C ATOM 829 OD1 ASN A 57 17.271 31.501 4.243 1.00 0.00 O ATOM 830 ND2 ASN A 57 17.077 33.737 4.231 1.00 0.00 N ATOM 0 H ASN A 57 12.799 32.336 2.518 1.00 0.00 H new ATOM 0 HA ASN A 57 14.749 30.544 3.842 1.00 0.00 H new ATOM 0 HB2 ASN A 57 15.658 32.040 2.073 1.00 0.00 H new ATOM 0 HB3 ASN A 57 15.005 33.433 2.911 1.00 0.00 H new ATOM 0 HD21 ASN A 57 17.918 33.856 4.795 1.00 0.00 H new ATOM 0 HD22 ASN A 57 16.549 34.554 3.924 1.00 0.00 H new ATOM 837 N ASP A 58 13.628 33.391 5.105 1.00 0.00 N ATOM 838 CA ASP A 58 13.236 34.044 6.349 1.00 0.00 C ATOM 839 C ASP A 58 12.862 35.503 6.104 1.00 0.00 C ATOM 840 O ASP A 58 11.693 35.879 6.208 1.00 0.00 O ATOM 841 CB ASP A 58 14.372 33.963 7.372 1.00 0.00 C ATOM 842 CG ASP A 58 13.986 34.554 8.713 1.00 0.00 C ATOM 843 OD1 ASP A 58 13.754 35.779 8.778 1.00 0.00 O ATOM 844 OD2 ASP A 58 13.914 33.791 9.700 1.00 0.00 O ATOM 0 H ASP A 58 13.632 34.004 4.290 1.00 0.00 H new ATOM 0 HA ASP A 58 12.362 33.524 6.743 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.662 32.921 7.507 1.00 0.00 H new ATOM 0 HB3 ASP A 58 15.245 34.489 6.984 1.00 0.00 H new ATOM 849 N LYS A 59 13.858 36.319 5.780 1.00 0.00 N ATOM 850 CA LYS A 59 13.633 37.735 5.520 1.00 0.00 C ATOM 851 C LYS A 59 13.552 38.010 4.023 1.00 0.00 C ATOM 852 O LYS A 59 13.481 37.033 3.247 1.00 0.00 O ATOM 853 CB LYS A 59 14.749 38.574 6.147 1.00 0.00 C ATOM 854 CG LYS A 59 14.252 39.838 6.830 1.00 0.00 C ATOM 855 CD LYS A 59 15.336 40.903 6.889 1.00 0.00 C ATOM 856 CE LYS A 59 15.959 40.988 8.273 1.00 0.00 C ATOM 857 NZ LYS A 59 16.777 39.784 8.589 1.00 0.00 N ATOM 0 H LYS A 59 14.830 36.024 5.691 1.00 0.00 H new ATOM 0 HA LYS A 59 12.681 38.014 5.972 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.285 37.965 6.875 1.00 0.00 H new ATOM 0 HB3 LYS A 59 15.465 38.848 5.372 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.387 40.227 6.293 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.919 39.600 7.840 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.109 40.678 6.154 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.912 41.870 6.620 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.585 41.878 8.335 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.172 41.098 9.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 17.212 39.896 9.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.168 38.941 8.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.523 39.673 7.873 1.00 0.00 H new TER 871 LYS A 59