USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 480 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 51 HIS : no HD1:sc= -0.0567 X(o=1.4,f=1.3) USER MOD Set 1.2: A 52 SER OG : rot -129:sc= 0.409 USER MOD Set 1.3: A 55 SER OG : rot -71:sc= 1.06 USER MOD Set 2.1: A 29 SER OG : rot 174:sc= 0.121! USER MOD Set 2.2: A 36 HIS : no HE2:sc= 1.53 K(o=1.6,f=-8.5!) USER MOD Single : A 1 GLU N :NH3+ -168:sc= 1.08 (180deg=0.902) USER MOD Single : A 7 THR OG1 : rot 16:sc= 0.738 USER MOD Single : A 16 GLN : amide:sc= 0.00176 X(o=0.0018,f=-0.0049) USER MOD Single : A 28 TYR OH : rot -158:sc= 0.119 USER MOD Single : A 33 GLN : amide:sc= 0.708 K(o=0.71,f=-0.99) USER MOD Single : A 34 GLN : amide:sc= 0.653 K(o=0.65,f=-8.1!) USER MOD Single : A 40 TYR OH : rot -21:sc= 1.23 USER MOD Single : A 46 ASN : amide:sc= 0.111 K(o=0.11,f=-0.95) USER MOD Single : A 48 ASN : amide:sc= 1.52 K(o=1.5,f=-7!) USER MOD Single : A 49 ASN : amide:sc= 0.094 K(o=0.094,f=-4.1!) USER MOD Single : A 65 HIS : no HE2:sc= 1 K(o=1,f=-6.6!) USER MOD Single : A 66 HIS : no HE2:sc= 0.0707 X(o=0.071,f=-0.41) USER MOD Single : A 67 HIS : no HD1:sc= -0.939 K(o=-0.94,f=-4.3!) USER MOD Single : A 68 HIS : no HD1:sc= -1.15 K(o=-0.53,f=-6.6!) USER MOD Single : A 69 HIS : no HE2:sc= -1.85 K(o=-1.9,f=-3.8!) USER MOD Single : A 70 HIS : no HE2:sc= 0.922 K(o=0.92,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -18.111 -9.399 -12.029 1.00 1.00 N ATOM 2 CA GLU A 1 -18.108 -9.602 -10.580 1.00 1.00 C ATOM 3 C GLU A 1 -16.681 -9.418 -10.073 1.00 1.00 C ATOM 4 O GLU A 1 -15.733 -9.668 -10.819 1.00 1.00 O ATOM 5 CB GLU A 1 -18.795 -10.902 -10.107 1.00 1.00 C ATOM 6 CG GLU A 1 -18.943 -12.060 -11.110 1.00 1.00 C ATOM 7 CD GLU A 1 -17.604 -12.611 -11.589 1.00 1.00 C ATOM 8 OE1 GLU A 1 -16.943 -11.884 -12.368 1.00 1.00 O ATOM 9 OE2 GLU A 1 -17.217 -13.716 -11.158 1.00 1.00 O ATOM 0 H1 GLU A 1 -19.091 -9.318 -12.366 1.00 1.00 H new ATOM 0 H2 GLU A 1 -17.593 -8.527 -12.258 1.00 1.00 H new ATOM 0 H3 GLU A 1 -17.651 -10.208 -12.494 1.00 1.00 H new ATOM 0 HA GLU A 1 -18.744 -8.844 -10.122 1.00 1.00 H new ATOM 0 HB2 GLU A 1 -18.240 -11.277 -9.247 1.00 1.00 H new ATOM 0 HB3 GLU A 1 -19.792 -10.640 -9.753 1.00 1.00 H new ATOM 0 HG2 GLU A 1 -19.515 -12.864 -10.646 1.00 1.00 H new ATOM 0 HG3 GLU A 1 -19.517 -11.716 -11.971 1.00 1.00 H new ATOM 18 N ALA A 2 -16.552 -8.888 -8.859 1.00 1.00 N ATOM 19 CA ALA A 2 -15.348 -8.573 -8.076 1.00 1.00 C ATOM 20 C ALA A 2 -15.734 -7.830 -6.785 1.00 1.00 C ATOM 21 O ALA A 2 -14.941 -7.730 -5.856 1.00 1.00 O ATOM 22 CB ALA A 2 -14.390 -7.672 -8.871 1.00 1.00 C ATOM 0 H ALA A 2 -17.389 -8.637 -8.332 1.00 1.00 H new ATOM 0 HA ALA A 2 -14.855 -9.517 -7.843 1.00 1.00 H new ATOM 0 HB1 ALA A 2 -13.509 -7.456 -8.267 1.00 1.00 H new ATOM 0 HB2 ALA A 2 -14.087 -8.181 -9.786 1.00 1.00 H new ATOM 0 HB3 ALA A 2 -14.894 -6.739 -9.125 1.00 1.00 H new ATOM 28 N GLU A 3 -16.953 -7.300 -6.760 1.00 1.00 N ATOM 29 CA GLU A 3 -17.577 -6.445 -5.773 1.00 1.00 C ATOM 30 C GLU A 3 -17.770 -7.268 -4.496 1.00 1.00 C ATOM 31 O GLU A 3 -17.119 -7.034 -3.481 1.00 1.00 O ATOM 32 CB GLU A 3 -18.930 -5.918 -6.339 1.00 1.00 C ATOM 33 CG GLU A 3 -18.965 -5.547 -7.848 1.00 1.00 C ATOM 34 CD GLU A 3 -19.006 -6.773 -8.792 1.00 1.00 C ATOM 35 OE1 GLU A 3 -19.163 -7.915 -8.293 1.00 1.00 O ATOM 36 OE2 GLU A 3 -18.711 -6.656 -10.002 1.00 1.00 O ATOM 0 H GLU A 3 -17.599 -7.487 -7.527 1.00 1.00 H new ATOM 0 HA GLU A 3 -16.959 -5.578 -5.541 1.00 1.00 H new ATOM 0 HB2 GLU A 3 -19.692 -6.677 -6.159 1.00 1.00 H new ATOM 0 HB3 GLU A 3 -19.217 -5.036 -5.766 1.00 1.00 H new ATOM 0 HG2 GLU A 3 -19.839 -4.924 -8.039 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -18.087 -4.947 -8.085 1.00 1.00 H new ATOM 43 N ALA A 4 -18.643 -8.278 -4.562 1.00 1.00 N ATOM 44 CA ALA A 4 -18.938 -9.188 -3.465 1.00 1.00 C ATOM 45 C ALA A 4 -17.910 -10.325 -3.455 1.00 1.00 C ATOM 46 O ALA A 4 -18.269 -11.500 -3.596 1.00 1.00 O ATOM 47 CB ALA A 4 -20.384 -9.688 -3.600 1.00 1.00 C ATOM 0 H ALA A 4 -19.176 -8.486 -5.407 1.00 1.00 H new ATOM 0 HA ALA A 4 -18.860 -8.679 -2.504 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -20.611 -10.370 -2.781 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -21.067 -8.839 -3.565 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -20.501 -10.210 -4.550 1.00 1.00 H new ATOM 53 N GLU A 5 -16.627 -9.979 -3.360 1.00 1.00 N ATOM 54 CA GLU A 5 -15.524 -10.916 -3.270 1.00 1.00 C ATOM 55 C GLU A 5 -14.570 -10.432 -2.186 1.00 1.00 C ATOM 56 O GLU A 5 -14.710 -10.844 -1.037 1.00 1.00 O ATOM 57 CB GLU A 5 -14.844 -11.077 -4.636 1.00 1.00 C ATOM 58 CG GLU A 5 -15.746 -11.826 -5.620 1.00 1.00 C ATOM 59 CD GLU A 5 -15.131 -11.977 -7.004 1.00 1.00 C ATOM 60 OE1 GLU A 5 -13.942 -12.337 -7.101 1.00 1.00 O ATOM 61 OE2 GLU A 5 -15.887 -11.822 -7.991 1.00 1.00 O ATOM 0 H GLU A 5 -16.324 -9.005 -3.344 1.00 1.00 H new ATOM 0 HA GLU A 5 -15.881 -11.908 -2.992 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -14.597 -10.095 -5.040 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -13.905 -11.617 -4.516 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -15.968 -12.815 -5.219 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -16.695 -11.297 -5.707 1.00 1.00 H new ATOM 68 N PHE A 6 -13.614 -9.569 -2.530 1.00 1.00 N ATOM 69 CA PHE A 6 -12.672 -8.984 -1.596 1.00 1.00 C ATOM 70 C PHE A 6 -12.043 -7.767 -2.261 1.00 1.00 C ATOM 71 O PHE A 6 -11.720 -7.802 -3.449 1.00 1.00 O ATOM 72 CB PHE A 6 -11.560 -9.996 -1.265 1.00 1.00 C ATOM 73 CG PHE A 6 -10.571 -9.494 -0.227 1.00 1.00 C ATOM 74 CD1 PHE A 6 -9.469 -8.703 -0.612 1.00 1.00 C ATOM 75 CD2 PHE A 6 -10.781 -9.778 1.136 1.00 1.00 C ATOM 76 CE1 PHE A 6 -8.601 -8.179 0.362 1.00 1.00 C ATOM 77 CE2 PHE A 6 -9.900 -9.270 2.107 1.00 1.00 C ATOM 78 CZ PHE A 6 -8.814 -8.466 1.722 1.00 1.00 C ATOM 0 H PHE A 6 -13.476 -9.255 -3.490 1.00 1.00 H new ATOM 0 HA PHE A 6 -13.188 -8.706 -0.677 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -12.015 -10.919 -0.905 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -11.021 -10.243 -2.179 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -9.291 -8.499 -1.658 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -11.621 -10.387 1.436 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -7.770 -7.556 0.066 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -10.058 -9.498 3.151 1.00 1.00 H new ATOM 0 HZ PHE A 6 -8.144 -8.069 2.470 1.00 1.00 H new ATOM 88 N THR A 7 -11.845 -6.699 -1.504 1.00 1.00 N ATOM 89 CA THR A 7 -11.141 -5.502 -1.910 1.00 1.00 C ATOM 90 C THR A 7 -10.663 -4.887 -0.601 1.00 1.00 C ATOM 91 O THR A 7 -11.416 -4.819 0.369 1.00 1.00 O ATOM 92 CB THR A 7 -12.034 -4.551 -2.725 1.00 1.00 C ATOM 93 OG1 THR A 7 -12.276 -5.113 -4.002 1.00 1.00 O ATOM 94 CG2 THR A 7 -11.359 -3.191 -2.960 1.00 1.00 C ATOM 0 H THR A 7 -12.189 -6.645 -0.545 1.00 1.00 H new ATOM 0 HA THR A 7 -10.311 -5.717 -2.583 1.00 1.00 H new ATOM 0 HB THR A 7 -12.953 -4.410 -2.157 1.00 1.00 H new ATOM 0 HG1 THR A 7 -12.041 -6.064 -3.991 1.00 1.00 H new ATOM 0 HG21 THR A 7 -12.024 -2.550 -3.539 1.00 1.00 H new ATOM 0 HG22 THR A 7 -11.146 -2.720 -2.000 1.00 1.00 H new ATOM 0 HG23 THR A 7 -10.428 -3.337 -3.507 1.00 1.00 H new ATOM 102 N ASP A 8 -9.401 -4.487 -0.588 1.00 1.00 N ATOM 103 CA ASP A 8 -8.739 -3.762 0.474 1.00 1.00 C ATOM 104 C ASP A 8 -8.253 -2.437 -0.118 1.00 1.00 C ATOM 105 O ASP A 8 -8.194 -2.305 -1.349 1.00 1.00 O ATOM 106 CB ASP A 8 -7.568 -4.612 0.965 1.00 1.00 C ATOM 107 CG ASP A 8 -6.704 -3.790 1.912 1.00 1.00 C ATOM 108 OD1 ASP A 8 -7.267 -3.237 2.879 1.00 1.00 O ATOM 109 OD2 ASP A 8 -5.561 -3.510 1.502 1.00 1.00 O ATOM 0 H ASP A 8 -8.776 -4.675 -1.372 1.00 1.00 H new ATOM 0 HA ASP A 8 -9.399 -3.560 1.317 1.00 1.00 H new ATOM 0 HB2 ASP A 8 -7.939 -5.501 1.474 1.00 1.00 H new ATOM 0 HB3 ASP A 8 -6.973 -4.954 0.118 1.00 1.00 H new ATOM 114 N ALA A 9 -7.863 -1.470 0.721 1.00 1.00 N ATOM 115 CA ALA A 9 -7.268 -0.226 0.266 1.00 1.00 C ATOM 116 C ALA A 9 -6.102 -0.495 -0.681 1.00 1.00 C ATOM 117 O ALA A 9 -5.957 0.233 -1.652 1.00 1.00 O ATOM 118 CB ALA A 9 -6.789 0.629 1.444 1.00 1.00 C ATOM 0 H ALA A 9 -7.955 -1.537 1.735 1.00 1.00 H new ATOM 0 HA ALA A 9 -8.041 0.325 -0.269 1.00 1.00 H new ATOM 0 HB1 ALA A 9 -6.349 1.553 1.068 1.00 1.00 H new ATOM 0 HB2 ALA A 9 -7.635 0.866 2.089 1.00 1.00 H new ATOM 0 HB3 ALA A 9 -6.042 0.077 2.014 1.00 1.00 H new ATOM 124 N CYS A 10 -5.297 -1.537 -0.472 1.00 1.00 N ATOM 125 CA CYS A 10 -4.112 -1.781 -1.286 1.00 1.00 C ATOM 126 C CYS A 10 -4.482 -2.044 -2.761 1.00 1.00 C ATOM 127 O CYS A 10 -3.653 -1.871 -3.651 1.00 1.00 O ATOM 128 CB CYS A 10 -3.265 -2.888 -0.631 1.00 1.00 C ATOM 129 SG CYS A 10 -3.599 -4.598 -1.118 1.00 1.00 S ATOM 0 H CYS A 10 -5.448 -2.230 0.261 1.00 1.00 H new ATOM 0 HA CYS A 10 -3.490 -0.887 -1.320 1.00 1.00 H new ATOM 0 HB2 CYS A 10 -2.216 -2.678 -0.842 1.00 1.00 H new ATOM 0 HB3 CYS A 10 -3.394 -2.815 0.449 1.00 1.00 H new ATOM 134 N VAL A 11 -5.730 -2.431 -3.049 1.00 1.00 N ATOM 135 CA VAL A 11 -6.243 -2.631 -4.404 1.00 1.00 C ATOM 136 C VAL A 11 -6.665 -1.285 -5.034 1.00 1.00 C ATOM 137 O VAL A 11 -6.581 -1.114 -6.253 1.00 1.00 O ATOM 138 CB VAL A 11 -7.422 -3.632 -4.346 1.00 1.00 C ATOM 139 CG1 VAL A 11 -7.884 -4.097 -5.736 1.00 1.00 C ATOM 140 CG2 VAL A 11 -7.076 -4.900 -3.540 1.00 1.00 C ATOM 0 H VAL A 11 -6.426 -2.618 -2.327 1.00 1.00 H new ATOM 0 HA VAL A 11 -5.460 -3.044 -5.040 1.00 1.00 H new ATOM 0 HB VAL A 11 -8.221 -3.075 -3.857 1.00 1.00 H new ATOM 0 HG11 VAL A 11 -8.713 -4.797 -5.629 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -8.210 -3.235 -6.318 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -7.057 -4.589 -6.248 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -7.936 -5.570 -3.529 1.00 1.00 H new ATOM 0 HG22 VAL A 11 -6.228 -5.405 -4.003 1.00 1.00 H new ATOM 0 HG23 VAL A 11 -6.819 -4.623 -2.518 1.00 1.00 H new ATOM 150 N LEU A 12 -7.118 -0.331 -4.218 1.00 1.00 N ATOM 151 CA LEU A 12 -7.471 1.038 -4.582 1.00 1.00 C ATOM 152 C LEU A 12 -6.222 1.816 -4.975 1.00 1.00 C ATOM 153 O LEU A 12 -5.205 1.700 -4.302 1.00 1.00 O ATOM 154 CB LEU A 12 -8.255 1.648 -3.407 1.00 1.00 C ATOM 155 CG LEU A 12 -8.353 3.169 -3.215 1.00 1.00 C ATOM 156 CD1 LEU A 12 -9.579 3.766 -3.933 1.00 1.00 C ATOM 157 CD2 LEU A 12 -8.554 3.452 -1.718 1.00 1.00 C ATOM 0 H LEU A 12 -7.256 -0.508 -3.223 1.00 1.00 H new ATOM 0 HA LEU A 12 -8.114 1.073 -5.461 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -9.275 1.270 -3.476 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -7.825 1.240 -2.492 1.00 1.00 H new ATOM 0 HG LEU A 12 -7.442 3.611 -3.620 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -9.607 4.843 -3.770 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -9.509 3.563 -5.002 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -10.488 3.315 -3.536 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -8.626 4.528 -1.558 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -9.471 2.972 -1.377 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -7.707 3.058 -1.156 1.00 1.00 H new ATOM 169 N PRO A 13 -6.257 2.614 -6.052 1.00 1.00 N ATOM 170 CA PRO A 13 -5.080 3.322 -6.514 1.00 1.00 C ATOM 171 C PRO A 13 -4.659 4.419 -5.535 1.00 1.00 C ATOM 172 O PRO A 13 -5.405 4.828 -4.641 1.00 1.00 O ATOM 173 CB PRO A 13 -5.431 3.875 -7.896 1.00 1.00 C ATOM 174 CG PRO A 13 -6.961 3.906 -7.931 1.00 1.00 C ATOM 175 CD PRO A 13 -7.410 2.893 -6.878 1.00 1.00 C ATOM 0 HA PRO A 13 -4.218 2.658 -6.576 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -5.012 4.871 -8.041 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -5.030 3.242 -8.688 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -7.339 4.903 -7.704 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -7.337 3.639 -8.919 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -8.227 3.294 -6.279 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -7.778 1.982 -7.350 1.00 1.00 H new ATOM 183 N ALA A 14 -3.441 4.903 -5.751 1.00 1.00 N ATOM 184 CA ALA A 14 -2.880 6.030 -5.028 1.00 1.00 C ATOM 185 C ALA A 14 -3.481 7.333 -5.561 1.00 1.00 C ATOM 186 O ALA A 14 -3.879 7.395 -6.726 1.00 1.00 O ATOM 187 CB ALA A 14 -1.367 6.026 -5.242 1.00 1.00 C ATOM 0 H ALA A 14 -2.806 4.513 -6.448 1.00 1.00 H new ATOM 0 HA ALA A 14 -3.108 5.952 -3.965 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -0.922 6.865 -4.708 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -0.949 5.093 -4.865 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -1.150 6.117 -6.306 1.00 1.00 H new ATOM 193 N VAL A 15 -3.469 8.389 -4.748 1.00 1.00 N ATOM 194 CA VAL A 15 -3.888 9.740 -5.111 1.00 1.00 C ATOM 195 C VAL A 15 -2.921 10.704 -4.426 1.00 1.00 C ATOM 196 O VAL A 15 -2.430 10.424 -3.331 1.00 1.00 O ATOM 197 CB VAL A 15 -5.353 9.979 -4.675 1.00 1.00 C ATOM 198 CG1 VAL A 15 -5.795 11.451 -4.669 1.00 1.00 C ATOM 199 CG2 VAL A 15 -6.328 9.202 -5.572 1.00 1.00 C ATOM 0 H VAL A 15 -3.154 8.323 -3.780 1.00 1.00 H new ATOM 0 HA VAL A 15 -3.858 9.894 -6.190 1.00 1.00 H new ATOM 0 HB VAL A 15 -5.382 9.624 -3.645 1.00 1.00 H new ATOM 0 HG11 VAL A 15 -6.835 11.517 -4.350 1.00 1.00 H new ATOM 0 HG12 VAL A 15 -5.168 12.016 -3.980 1.00 1.00 H new ATOM 0 HG13 VAL A 15 -5.696 11.865 -5.673 1.00 1.00 H new ATOM 0 HG21 VAL A 15 -7.351 9.387 -5.244 1.00 1.00 H new ATOM 0 HG22 VAL A 15 -6.213 9.531 -6.605 1.00 1.00 H new ATOM 0 HG23 VAL A 15 -6.113 8.136 -5.505 1.00 1.00 H new ATOM 209 N GLN A 16 -2.662 11.832 -5.084 1.00 1.00 N ATOM 210 CA GLN A 16 -1.871 12.934 -4.550 1.00 1.00 C ATOM 211 C GLN A 16 -2.672 13.650 -3.470 1.00 1.00 C ATOM 212 O GLN A 16 -2.299 13.583 -2.302 1.00 1.00 O ATOM 213 CB GLN A 16 -1.411 13.881 -5.678 1.00 1.00 C ATOM 214 CG GLN A 16 -0.172 13.294 -6.358 1.00 1.00 C ATOM 215 CD GLN A 16 0.218 13.965 -7.668 1.00 1.00 C ATOM 216 OE1 GLN A 16 -0.365 13.696 -8.710 1.00 1.00 O ATOM 217 NE2 GLN A 16 1.242 14.803 -7.664 1.00 1.00 N ATOM 0 H GLN A 16 -3.006 12.008 -6.028 1.00 1.00 H new ATOM 0 HA GLN A 16 -0.961 12.547 -4.091 1.00 1.00 H new ATOM 0 HB2 GLN A 16 -2.211 14.013 -6.406 1.00 1.00 H new ATOM 0 HB3 GLN A 16 -1.184 14.866 -5.271 1.00 1.00 H new ATOM 0 HG2 GLN A 16 0.669 13.360 -5.668 1.00 1.00 H new ATOM 0 HG3 GLN A 16 -0.346 12.235 -6.547 1.00 1.00 H new ATOM 0 HE21 GLN A 16 1.720 15.020 -6.790 1.00 1.00 H new ATOM 0 HE22 GLN A 16 1.553 15.232 -8.535 1.00 1.00 H new ATOM 226 N GLY A 17 -3.753 14.316 -3.864 1.00 1.00 N ATOM 227 CA GLY A 17 -4.586 15.137 -3.002 1.00 1.00 C ATOM 228 C GLY A 17 -4.812 16.500 -3.648 1.00 1.00 C ATOM 229 O GLY A 17 -4.271 16.753 -4.726 1.00 1.00 O ATOM 0 H GLY A 17 -4.082 14.296 -4.829 1.00 1.00 H new ATOM 0 HA2 GLY A 17 -5.542 14.644 -2.828 1.00 1.00 H new ATOM 0 HA3 GLY A 17 -4.109 15.260 -2.030 1.00 1.00 H new ATOM 233 N PRO A 18 -5.605 17.384 -3.025 1.00 1.00 N ATOM 234 CA PRO A 18 -5.880 18.708 -3.571 1.00 1.00 C ATOM 235 C PRO A 18 -4.685 19.666 -3.448 1.00 1.00 C ATOM 236 O PRO A 18 -4.671 20.709 -4.108 1.00 1.00 O ATOM 237 CB PRO A 18 -7.103 19.208 -2.791 1.00 1.00 C ATOM 238 CG PRO A 18 -7.018 18.482 -1.447 1.00 1.00 C ATOM 239 CD PRO A 18 -6.363 17.147 -1.804 1.00 1.00 C ATOM 0 HA PRO A 18 -6.068 18.662 -4.644 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -7.077 20.290 -2.661 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -8.031 18.972 -3.312 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -6.422 19.041 -0.726 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -8.004 18.340 -1.004 1.00 1.00 H new ATOM 0 HD2 PRO A 18 -5.711 16.805 -1.000 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -7.114 16.372 -1.956 1.00 1.00 H new ATOM 247 N CYS A 19 -3.697 19.364 -2.603 1.00 1.00 N ATOM 248 CA CYS A 19 -2.541 20.217 -2.347 1.00 1.00 C ATOM 249 C CYS A 19 -1.547 20.218 -3.512 1.00 1.00 C ATOM 250 O CYS A 19 -1.786 19.645 -4.570 1.00 1.00 O ATOM 251 CB CYS A 19 -1.903 19.801 -1.015 1.00 1.00 C ATOM 252 SG CYS A 19 -3.040 20.133 0.342 1.00 1.00 S ATOM 0 H CYS A 19 -3.681 18.497 -2.066 1.00 1.00 H new ATOM 0 HA CYS A 19 -2.871 21.252 -2.265 1.00 1.00 H new ATOM 0 HB2 CYS A 19 -1.651 18.741 -1.038 1.00 1.00 H new ATOM 0 HB3 CYS A 19 -0.972 20.347 -0.862 1.00 1.00 H new ATOM 257 N ARG A 20 -0.436 20.937 -3.333 1.00 1.00 N ATOM 258 CA ARG A 20 0.694 20.979 -4.264 1.00 1.00 C ATOM 259 C ARG A 20 2.053 20.741 -3.603 1.00 1.00 C ATOM 260 O ARG A 20 3.091 20.889 -4.242 1.00 1.00 O ATOM 261 CB ARG A 20 0.650 22.259 -5.102 1.00 1.00 C ATOM 262 CG ARG A 20 -0.310 22.172 -6.307 1.00 1.00 C ATOM 263 CD ARG A 20 -1.381 23.269 -6.377 1.00 1.00 C ATOM 264 NE ARG A 20 -2.666 22.875 -5.766 1.00 1.00 N ATOM 265 CZ ARG A 20 -3.776 23.630 -5.773 1.00 1.00 C ATOM 266 NH1 ARG A 20 -3.755 24.860 -6.288 1.00 1.00 N ATOM 267 NH2 ARG A 20 -4.911 23.164 -5.273 1.00 1.00 N ATOM 0 H ARG A 20 -0.294 21.524 -2.511 1.00 1.00 H new ATOM 0 HA ARG A 20 0.580 20.132 -4.940 1.00 1.00 H new ATOM 0 HB2 ARG A 20 0.347 23.090 -4.466 1.00 1.00 H new ATOM 0 HB3 ARG A 20 1.654 22.483 -5.463 1.00 1.00 H new ATOM 0 HG2 ARG A 20 0.280 22.205 -7.223 1.00 1.00 H new ATOM 0 HG3 ARG A 20 -0.808 21.203 -6.284 1.00 1.00 H new ATOM 0 HD2 ARG A 20 -1.008 24.163 -5.876 1.00 1.00 H new ATOM 0 HD3 ARG A 20 -1.550 23.535 -7.420 1.00 1.00 H new ATOM 0 HE ARG A 20 -2.714 21.966 -5.306 1.00 1.00 H new ATOM 0 HH11 ARG A 20 -2.891 25.234 -6.681 1.00 1.00 H new ATOM 0 HH12 ARG A 20 -4.603 25.427 -6.289 1.00 1.00 H new ATOM 0 HH21 ARG A 20 -4.947 22.224 -4.878 1.00 1.00 H new ATOM 0 HH22 ARG A 20 -5.749 23.745 -5.283 1.00 1.00 H new ATOM 281 N GLY A 21 2.046 20.452 -2.308 1.00 1.00 N ATOM 282 CA GLY A 21 3.253 20.052 -1.595 1.00 1.00 C ATOM 283 C GLY A 21 3.419 18.587 -2.007 1.00 1.00 C ATOM 284 O GLY A 21 2.412 17.942 -2.295 1.00 1.00 O ATOM 0 H GLY A 21 1.210 20.488 -1.725 1.00 1.00 H new ATOM 0 HA2 GLY A 21 4.113 20.654 -1.886 1.00 1.00 H new ATOM 0 HA3 GLY A 21 3.140 20.159 -0.516 1.00 1.00 H new ATOM 288 N TRP A 22 4.625 18.025 -2.000 1.00 1.00 N ATOM 289 CA TRP A 22 4.876 16.691 -2.506 1.00 1.00 C ATOM 290 C TRP A 22 5.661 15.943 -1.441 1.00 1.00 C ATOM 291 O TRP A 22 6.715 16.388 -0.995 1.00 1.00 O ATOM 292 CB TRP A 22 5.624 16.777 -3.843 1.00 1.00 C ATOM 293 CG TRP A 22 4.929 17.499 -4.970 1.00 1.00 C ATOM 294 CD1 TRP A 22 5.545 18.373 -5.797 1.00 1.00 C ATOM 295 CD2 TRP A 22 3.524 17.481 -5.397 1.00 1.00 C ATOM 296 NE1 TRP A 22 4.634 18.911 -6.680 1.00 1.00 N ATOM 297 CE2 TRP A 22 3.366 18.419 -6.463 1.00 1.00 C ATOM 298 CE3 TRP A 22 2.352 16.807 -4.984 1.00 1.00 C ATOM 299 CZ2 TRP A 22 2.123 18.693 -7.057 1.00 1.00 C ATOM 300 CZ3 TRP A 22 1.095 17.101 -5.543 1.00 1.00 C ATOM 301 CH2 TRP A 22 0.977 18.034 -6.585 1.00 1.00 C ATOM 0 H TRP A 22 5.457 18.491 -1.639 1.00 1.00 H new ATOM 0 HA TRP A 22 3.950 16.151 -2.705 1.00 1.00 H new ATOM 0 HB2 TRP A 22 6.581 17.268 -3.665 1.00 1.00 H new ATOM 0 HB3 TRP A 22 5.843 15.762 -4.175 1.00 1.00 H new ATOM 0 HD1 TRP A 22 6.597 18.614 -5.770 1.00 1.00 H new ATOM 0 HE1 TRP A 22 4.870 19.589 -7.404 1.00 1.00 H new ATOM 0 HE3 TRP A 22 2.423 16.047 -4.220 1.00 1.00 H new ATOM 0 HZ2 TRP A 22 2.050 19.403 -7.868 1.00 1.00 H new ATOM 0 HZ3 TRP A 22 0.213 16.604 -5.167 1.00 1.00 H new ATOM 0 HH2 TRP A 22 0.011 18.243 -7.021 1.00 1.00 H new ATOM 312 N GLU A 23 5.094 14.819 -1.043 1.00 1.00 N ATOM 313 CA GLU A 23 5.496 13.932 0.032 1.00 1.00 C ATOM 314 C GLU A 23 5.643 12.514 -0.568 1.00 1.00 C ATOM 315 O GLU A 23 4.652 11.980 -1.064 1.00 1.00 O ATOM 316 CB GLU A 23 4.381 14.066 1.094 1.00 1.00 C ATOM 317 CG GLU A 23 4.441 13.103 2.271 1.00 1.00 C ATOM 318 CD GLU A 23 5.647 13.287 3.189 1.00 1.00 C ATOM 319 OE1 GLU A 23 6.744 12.835 2.805 1.00 1.00 O ATOM 320 OE2 GLU A 23 5.418 13.575 4.383 1.00 1.00 O ATOM 0 H GLU A 23 4.258 14.471 -1.512 1.00 1.00 H new ATOM 0 HA GLU A 23 6.453 14.163 0.500 1.00 1.00 H new ATOM 0 HB2 GLU A 23 4.403 15.083 1.485 1.00 1.00 H new ATOM 0 HB3 GLU A 23 3.420 13.937 0.597 1.00 1.00 H new ATOM 0 HG2 GLU A 23 3.532 13.217 2.862 1.00 1.00 H new ATOM 0 HG3 GLU A 23 4.447 12.083 1.887 1.00 1.00 H new ATOM 327 N PRO A 24 6.833 11.890 -0.632 1.00 1.00 N ATOM 328 CA PRO A 24 6.998 10.520 -1.134 1.00 1.00 C ATOM 329 C PRO A 24 6.328 9.517 -0.193 1.00 1.00 C ATOM 330 O PRO A 24 6.606 9.451 1.008 1.00 1.00 O ATOM 331 CB PRO A 24 8.512 10.301 -1.230 1.00 1.00 C ATOM 332 CG PRO A 24 9.083 11.253 -0.179 1.00 1.00 C ATOM 333 CD PRO A 24 8.116 12.434 -0.216 1.00 1.00 C ATOM 0 HA PRO A 24 6.523 10.374 -2.104 1.00 1.00 H new ATOM 0 HB2 PRO A 24 8.781 9.266 -1.021 1.00 1.00 H new ATOM 0 HB3 PRO A 24 8.888 10.533 -2.227 1.00 1.00 H new ATOM 0 HG2 PRO A 24 9.116 10.791 0.807 1.00 1.00 H new ATOM 0 HG3 PRO A 24 10.101 11.558 -0.423 1.00 1.00 H new ATOM 0 HD2 PRO A 24 8.040 12.907 0.763 1.00 1.00 H new ATOM 0 HD3 PRO A 24 8.460 13.198 -0.913 1.00 1.00 H new ATOM 341 N ARG A 25 5.449 8.691 -0.751 1.00 1.00 N ATOM 342 CA ARG A 25 4.796 7.585 -0.055 1.00 1.00 C ATOM 343 C ARG A 25 4.869 6.342 -0.922 1.00 1.00 C ATOM 344 O ARG A 25 5.471 6.372 -1.994 1.00 1.00 O ATOM 345 CB ARG A 25 3.357 7.986 0.321 1.00 1.00 C ATOM 346 CG ARG A 25 3.305 9.012 1.461 1.00 1.00 C ATOM 347 CD ARG A 25 3.825 8.417 2.776 1.00 1.00 C ATOM 348 NE ARG A 25 3.725 9.377 3.884 1.00 1.00 N ATOM 349 CZ ARG A 25 4.643 10.304 4.190 1.00 1.00 C ATOM 350 NH1 ARG A 25 5.813 10.349 3.557 1.00 1.00 N ATOM 351 NH2 ARG A 25 4.362 11.204 5.126 1.00 1.00 N ATOM 0 H ARG A 25 5.163 8.774 -1.726 1.00 1.00 H new ATOM 0 HA ARG A 25 5.307 7.354 0.880 1.00 1.00 H new ATOM 0 HB2 ARG A 25 2.859 8.399 -0.556 1.00 1.00 H new ATOM 0 HB3 ARG A 25 2.801 7.095 0.614 1.00 1.00 H new ATOM 0 HG2 ARG A 25 3.901 9.885 1.194 1.00 1.00 H new ATOM 0 HG3 ARG A 25 2.280 9.356 1.596 1.00 1.00 H new ATOM 0 HD2 ARG A 25 3.256 7.520 3.020 1.00 1.00 H new ATOM 0 HD3 ARG A 25 4.864 8.112 2.652 1.00 1.00 H new ATOM 0 HE ARG A 25 2.889 9.334 4.467 1.00 1.00 H new ATOM 0 HH11 ARG A 25 6.023 9.670 2.825 1.00 1.00 H new ATOM 0 HH12 ARG A 25 6.499 11.062 3.804 1.00 1.00 H new ATOM 0 HH21 ARG A 25 3.459 11.182 5.600 1.00 1.00 H new ATOM 0 HH22 ARG A 25 5.049 11.917 5.371 1.00 1.00 H new ATOM 365 N TRP A 26 4.310 5.235 -0.449 1.00 1.00 N ATOM 366 CA TRP A 26 4.315 3.948 -1.125 1.00 1.00 C ATOM 367 C TRP A 26 2.876 3.471 -1.271 1.00 1.00 C ATOM 368 O TRP A 26 2.067 3.740 -0.389 1.00 1.00 O ATOM 369 CB TRP A 26 5.180 2.983 -0.308 1.00 1.00 C ATOM 370 CG TRP A 26 6.648 3.180 -0.496 1.00 1.00 C ATOM 371 CD1 TRP A 26 7.415 4.143 0.064 1.00 1.00 C ATOM 372 CD2 TRP A 26 7.529 2.424 -1.364 1.00 1.00 C ATOM 373 NE1 TRP A 26 8.711 4.025 -0.397 1.00 1.00 N ATOM 374 CE2 TRP A 26 8.833 2.992 -1.304 1.00 1.00 C ATOM 375 CE3 TRP A 26 7.339 1.311 -2.204 1.00 1.00 C ATOM 376 CZ2 TRP A 26 9.902 2.474 -2.052 1.00 1.00 C ATOM 377 CZ3 TRP A 26 8.363 0.881 -3.057 1.00 1.00 C ATOM 378 CH2 TRP A 26 9.654 1.413 -2.941 1.00 1.00 C ATOM 0 H TRP A 26 3.824 5.210 0.448 1.00 1.00 H new ATOM 0 HA TRP A 26 4.741 4.012 -2.126 1.00 1.00 H new ATOM 0 HB2 TRP A 26 4.940 3.101 0.749 1.00 1.00 H new ATOM 0 HB3 TRP A 26 4.923 1.960 -0.581 1.00 1.00 H new ATOM 0 HD1 TRP A 26 7.067 4.889 0.764 1.00 1.00 H new ATOM 0 HE1 TRP A 26 9.481 4.626 -0.104 1.00 1.00 H new ATOM 0 HE3 TRP A 26 6.396 0.784 -2.191 1.00 1.00 H new ATOM 0 HZ2 TRP A 26 10.896 2.883 -1.947 1.00 1.00 H new ATOM 0 HZ3 TRP A 26 8.156 0.134 -3.809 1.00 1.00 H new ATOM 0 HH2 TRP A 26 10.460 1.008 -3.535 1.00 1.00 H new ATOM 389 N ALA A 27 2.542 2.790 -2.369 1.00 1.00 N ATOM 390 CA ALA A 27 1.223 2.205 -2.577 1.00 1.00 C ATOM 391 C ALA A 27 1.366 0.864 -3.280 1.00 1.00 C ATOM 392 O ALA A 27 2.251 0.697 -4.133 1.00 1.00 O ATOM 393 CB ALA A 27 0.333 3.135 -3.411 1.00 1.00 C ATOM 0 H ALA A 27 3.187 2.630 -3.143 1.00 1.00 H new ATOM 0 HA ALA A 27 0.752 2.063 -1.605 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -0.645 2.674 -3.551 1.00 1.00 H new ATOM 0 HB2 ALA A 27 0.215 4.087 -2.893 1.00 1.00 H new ATOM 0 HB3 ALA A 27 0.796 3.306 -4.383 1.00 1.00 H new ATOM 399 N TYR A 28 0.484 -0.076 -2.941 1.00 1.00 N ATOM 400 CA TYR A 28 0.410 -1.367 -3.608 1.00 1.00 C ATOM 401 C TYR A 28 -0.314 -1.161 -4.924 1.00 1.00 C ATOM 402 O TYR A 28 -1.206 -0.321 -5.049 1.00 1.00 O ATOM 403 CB TYR A 28 -0.342 -2.390 -2.747 1.00 1.00 C ATOM 404 CG TYR A 28 -0.394 -3.825 -3.275 1.00 1.00 C ATOM 405 CD1 TYR A 28 -1.439 -4.237 -4.128 1.00 1.00 C ATOM 406 CD2 TYR A 28 0.551 -4.782 -2.854 1.00 1.00 C ATOM 407 CE1 TYR A 28 -1.567 -5.582 -4.523 1.00 1.00 C ATOM 408 CE2 TYR A 28 0.446 -6.126 -3.264 1.00 1.00 C ATOM 409 CZ TYR A 28 -0.624 -6.540 -4.086 1.00 1.00 C ATOM 410 OH TYR A 28 -0.786 -7.850 -4.428 1.00 1.00 O ATOM 0 H TYR A 28 -0.200 0.041 -2.193 1.00 1.00 H new ATOM 0 HA TYR A 28 1.414 -1.757 -3.774 1.00 1.00 H new ATOM 0 HB2 TYR A 28 0.118 -2.407 -1.759 1.00 1.00 H new ATOM 0 HB3 TYR A 28 -1.365 -2.038 -2.616 1.00 1.00 H new ATOM 0 HD1 TYR A 28 -2.153 -3.509 -4.484 1.00 1.00 H new ATOM 0 HD2 TYR A 28 1.365 -4.482 -2.210 1.00 1.00 H new ATOM 0 HE1 TYR A 28 -2.386 -5.882 -5.160 1.00 1.00 H new ATOM 0 HE2 TYR A 28 1.189 -6.843 -2.947 1.00 1.00 H new ATOM 0 HH TYR A 28 -0.288 -8.416 -3.801 1.00 1.00 H new ATOM 420 N SER A 29 0.165 -1.813 -5.968 1.00 1.00 N ATOM 421 CA SER A 29 -0.468 -1.849 -7.262 1.00 1.00 C ATOM 422 C SER A 29 -0.842 -3.298 -7.537 1.00 1.00 C ATOM 423 O SER A 29 0.076 -4.091 -7.756 1.00 1.00 O ATOM 424 CB SER A 29 0.504 -1.201 -8.232 1.00 1.00 C ATOM 425 OG SER A 29 0.383 0.182 -7.956 1.00 1.00 O ATOM 0 H SER A 29 1.033 -2.347 -5.931 1.00 1.00 H new ATOM 0 HA SER A 29 -1.399 -1.290 -7.350 1.00 1.00 H new ATOM 0 HB2 SER A 29 1.523 -1.553 -8.073 1.00 1.00 H new ATOM 0 HB3 SER A 29 0.247 -1.427 -9.267 1.00 1.00 H new ATOM 0 HG SER A 29 1.055 0.678 -8.469 1.00 1.00 H new ATOM 431 N PRO A 30 -2.137 -3.651 -7.606 1.00 1.00 N ATOM 432 CA PRO A 30 -2.552 -5.006 -7.951 1.00 1.00 C ATOM 433 C PRO A 30 -2.226 -5.305 -9.415 1.00 1.00 C ATOM 434 O PRO A 30 -1.826 -6.413 -9.748 1.00 1.00 O ATOM 435 CB PRO A 30 -4.057 -5.046 -7.675 1.00 1.00 C ATOM 436 CG PRO A 30 -4.508 -3.601 -7.838 1.00 1.00 C ATOM 437 CD PRO A 30 -3.301 -2.806 -7.352 1.00 1.00 C ATOM 0 HA PRO A 30 -2.030 -5.766 -7.370 1.00 1.00 H new ATOM 0 HB2 PRO A 30 -4.572 -5.705 -8.374 1.00 1.00 H new ATOM 0 HB3 PRO A 30 -4.268 -5.418 -6.672 1.00 1.00 H new ATOM 0 HG2 PRO A 30 -4.753 -3.369 -8.875 1.00 1.00 H new ATOM 0 HG3 PRO A 30 -5.397 -3.387 -7.245 1.00 1.00 H new ATOM 0 HD2 PRO A 30 -3.218 -1.858 -7.883 1.00 1.00 H new ATOM 0 HD3 PRO A 30 -3.389 -2.571 -6.291 1.00 1.00 H new ATOM 445 N LEU A 31 -2.312 -4.287 -10.280 1.00 1.00 N ATOM 446 CA LEU A 31 -1.933 -4.358 -11.689 1.00 1.00 C ATOM 447 C LEU A 31 -0.433 -4.598 -11.889 1.00 1.00 C ATOM 448 O LEU A 31 -0.026 -4.956 -12.988 1.00 1.00 O ATOM 449 CB LEU A 31 -2.379 -3.084 -12.412 1.00 1.00 C ATOM 450 CG LEU A 31 -3.880 -3.131 -12.750 1.00 1.00 C ATOM 451 CD1 LEU A 31 -4.343 -1.725 -13.107 1.00 1.00 C ATOM 452 CD2 LEU A 31 -4.204 -4.072 -13.919 1.00 1.00 C ATOM 0 H LEU A 31 -2.657 -3.367 -10.007 1.00 1.00 H new ATOM 0 HA LEU A 31 -2.443 -5.220 -12.120 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -2.172 -2.216 -11.786 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -1.801 -2.962 -13.328 1.00 1.00 H new ATOM 0 HG LEU A 31 -4.400 -3.516 -11.873 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -5.406 -1.742 -13.349 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -4.175 -1.060 -12.260 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -3.781 -1.364 -13.968 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -5.277 -4.061 -14.108 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -3.675 -3.739 -14.812 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -3.890 -5.085 -13.668 1.00 1.00 H new ATOM 464 N LEU A 32 0.385 -4.386 -10.854 1.00 1.00 N ATOM 465 CA LEU A 32 1.814 -4.690 -10.845 1.00 1.00 C ATOM 466 C LEU A 32 2.117 -5.835 -9.874 1.00 1.00 C ATOM 467 O LEU A 32 3.262 -6.269 -9.787 1.00 1.00 O ATOM 468 CB LEU A 32 2.572 -3.429 -10.413 1.00 1.00 C ATOM 469 CG LEU A 32 2.731 -2.395 -11.542 1.00 1.00 C ATOM 470 CD1 LEU A 32 3.169 -1.046 -10.958 1.00 1.00 C ATOM 471 CD2 LEU A 32 3.760 -2.839 -12.588 1.00 1.00 C ATOM 0 H LEU A 32 0.059 -3.986 -9.974 1.00 1.00 H new ATOM 0 HA LEU A 32 2.127 -5.000 -11.842 1.00 1.00 H new ATOM 0 HB2 LEU A 32 2.046 -2.966 -9.578 1.00 1.00 H new ATOM 0 HB3 LEU A 32 3.559 -3.714 -10.050 1.00 1.00 H new ATOM 0 HG LEU A 32 1.762 -2.302 -12.032 1.00 1.00 H new ATOM 0 HD11 LEU A 32 3.279 -0.320 -11.763 1.00 1.00 H new ATOM 0 HD12 LEU A 32 2.417 -0.694 -10.252 1.00 1.00 H new ATOM 0 HD13 LEU A 32 4.122 -1.165 -10.443 1.00 1.00 H new ATOM 0 HD21 LEU A 32 3.839 -2.079 -13.366 1.00 1.00 H new ATOM 0 HD22 LEU A 32 4.731 -2.972 -12.110 1.00 1.00 H new ATOM 0 HD23 LEU A 32 3.443 -3.782 -13.033 1.00 1.00 H new ATOM 483 N GLN A 33 1.098 -6.299 -9.144 1.00 1.00 N ATOM 484 CA GLN A 33 1.131 -7.275 -8.072 1.00 1.00 C ATOM 485 C GLN A 33 2.252 -6.937 -7.074 1.00 1.00 C ATOM 486 O GLN A 33 2.892 -7.841 -6.535 1.00 1.00 O ATOM 487 CB GLN A 33 1.211 -8.683 -8.688 1.00 1.00 C ATOM 488 CG GLN A 33 0.737 -9.750 -7.695 1.00 1.00 C ATOM 489 CD GLN A 33 1.746 -10.874 -7.476 1.00 1.00 C ATOM 490 OE1 GLN A 33 1.510 -12.005 -7.875 1.00 1.00 O ATOM 491 NE2 GLN A 33 2.858 -10.613 -6.816 1.00 1.00 N ATOM 0 H GLN A 33 0.148 -5.966 -9.310 1.00 1.00 H new ATOM 0 HA GLN A 33 0.216 -7.248 -7.480 1.00 1.00 H new ATOM 0 HB2 GLN A 33 0.599 -8.724 -9.589 1.00 1.00 H new ATOM 0 HB3 GLN A 33 2.237 -8.893 -8.989 1.00 1.00 H new ATOM 0 HG2 GLN A 33 0.523 -9.274 -6.738 1.00 1.00 H new ATOM 0 HG3 GLN A 33 -0.199 -10.178 -8.054 1.00 1.00 H new ATOM 0 HE21 GLN A 33 3.046 -9.666 -6.487 1.00 1.00 H new ATOM 0 HE22 GLN A 33 3.530 -11.358 -6.634 1.00 1.00 H new ATOM 500 N GLN A 34 2.529 -5.648 -6.846 1.00 1.00 N ATOM 501 CA GLN A 34 3.669 -5.250 -6.023 1.00 1.00 C ATOM 502 C GLN A 34 3.487 -3.799 -5.581 1.00 1.00 C ATOM 503 O GLN A 34 2.674 -3.065 -6.157 1.00 1.00 O ATOM 504 CB GLN A 34 4.928 -5.364 -6.908 1.00 1.00 C ATOM 505 CG GLN A 34 6.253 -5.500 -6.155 1.00 1.00 C ATOM 506 CD GLN A 34 7.450 -5.698 -7.082 1.00 1.00 C ATOM 507 OE1 GLN A 34 8.474 -5.033 -6.933 1.00 1.00 O ATOM 508 NE2 GLN A 34 7.385 -6.618 -8.030 1.00 1.00 N ATOM 0 H GLN A 34 1.983 -4.871 -7.218 1.00 1.00 H new ATOM 0 HA GLN A 34 3.756 -5.880 -5.138 1.00 1.00 H new ATOM 0 HB2 GLN A 34 4.813 -6.227 -7.564 1.00 1.00 H new ATOM 0 HB3 GLN A 34 4.982 -4.483 -7.547 1.00 1.00 H new ATOM 0 HG2 GLN A 34 6.413 -4.608 -5.550 1.00 1.00 H new ATOM 0 HG3 GLN A 34 6.189 -6.344 -5.468 1.00 1.00 H new ATOM 0 HE21 GLN A 34 6.534 -7.167 -8.150 1.00 1.00 H new ATOM 0 HE22 GLN A 34 8.186 -6.778 -8.641 1.00 1.00 H new ATOM 517 N CYS A 35 4.293 -3.348 -4.626 1.00 1.00 N ATOM 518 CA CYS A 35 4.294 -1.961 -4.180 1.00 1.00 C ATOM 519 C CYS A 35 5.345 -1.129 -4.891 1.00 1.00 C ATOM 520 O CYS A 35 6.448 -1.586 -5.206 1.00 1.00 O ATOM 521 CB CYS A 35 4.519 -1.862 -2.679 1.00 1.00 C ATOM 522 SG CYS A 35 3.103 -2.379 -1.691 1.00 1.00 S ATOM 0 H CYS A 35 4.967 -3.938 -4.138 1.00 1.00 H new ATOM 0 HA CYS A 35 3.310 -1.564 -4.429 1.00 1.00 H new ATOM 0 HB2 CYS A 35 5.380 -2.474 -2.410 1.00 1.00 H new ATOM 0 HB3 CYS A 35 4.769 -0.832 -2.426 1.00 1.00 H new ATOM 527 N HIS A 36 5.027 0.152 -5.057 1.00 1.00 N ATOM 528 CA HIS A 36 5.939 1.142 -5.636 1.00 1.00 C ATOM 529 C HIS A 36 5.831 2.487 -4.899 1.00 1.00 C ATOM 530 O HIS A 36 4.777 2.757 -4.316 1.00 1.00 O ATOM 531 CB HIS A 36 5.676 1.263 -7.150 1.00 1.00 C ATOM 532 CG HIS A 36 4.343 1.871 -7.521 1.00 1.00 C ATOM 533 ND1 HIS A 36 4.034 3.221 -7.474 1.00 1.00 N ATOM 534 CD2 HIS A 36 3.231 1.196 -7.944 1.00 1.00 C ATOM 535 CE1 HIS A 36 2.749 3.363 -7.838 1.00 1.00 C ATOM 536 NE2 HIS A 36 2.254 2.150 -8.141 1.00 1.00 N ATOM 0 H HIS A 36 4.121 0.539 -4.792 1.00 1.00 H new ATOM 0 HA HIS A 36 6.969 0.811 -5.507 1.00 1.00 H new ATOM 0 HB2 HIS A 36 6.469 1.865 -7.594 1.00 1.00 H new ATOM 0 HB3 HIS A 36 5.742 0.270 -7.595 1.00 1.00 H new ATOM 0 HD1 HIS A 36 4.670 3.974 -7.210 1.00 1.00 H new ATOM 0 HD2 HIS A 36 3.137 0.131 -8.094 1.00 1.00 H new ATOM 0 HE1 HIS A 36 2.205 4.295 -7.880 1.00 1.00 H new ATOM 545 N PRO A 37 6.870 3.345 -4.932 1.00 1.00 N ATOM 546 CA PRO A 37 6.792 4.689 -4.370 1.00 1.00 C ATOM 547 C PRO A 37 5.860 5.551 -5.231 1.00 1.00 C ATOM 548 O PRO A 37 5.588 5.193 -6.383 1.00 1.00 O ATOM 549 CB PRO A 37 8.217 5.250 -4.361 1.00 1.00 C ATOM 550 CG PRO A 37 9.081 4.238 -5.118 1.00 1.00 C ATOM 551 CD PRO A 37 8.134 3.157 -5.627 1.00 1.00 C ATOM 0 HA PRO A 37 6.387 4.681 -3.358 1.00 1.00 H new ATOM 0 HB2 PRO A 37 8.253 6.228 -4.841 1.00 1.00 H new ATOM 0 HB3 PRO A 37 8.577 5.382 -3.341 1.00 1.00 H new ATOM 0 HG2 PRO A 37 9.604 4.717 -5.946 1.00 1.00 H new ATOM 0 HG3 PRO A 37 9.842 3.811 -4.464 1.00 1.00 H new ATOM 0 HD2 PRO A 37 7.998 3.238 -6.705 1.00 1.00 H new ATOM 0 HD3 PRO A 37 8.539 2.164 -5.431 1.00 1.00 H new ATOM 559 N PHE A 38 5.384 6.691 -4.730 1.00 1.00 N ATOM 560 CA PHE A 38 4.564 7.618 -5.493 1.00 1.00 C ATOM 561 C PHE A 38 4.644 8.994 -4.840 1.00 1.00 C ATOM 562 O PHE A 38 5.108 9.119 -3.703 1.00 1.00 O ATOM 563 CB PHE A 38 3.112 7.110 -5.601 1.00 1.00 C ATOM 564 CG PHE A 38 2.232 7.282 -4.374 1.00 1.00 C ATOM 565 CD1 PHE A 38 2.309 6.393 -3.285 1.00 1.00 C ATOM 566 CD2 PHE A 38 1.285 8.320 -4.345 1.00 1.00 C ATOM 567 CE1 PHE A 38 1.431 6.541 -2.195 1.00 1.00 C ATOM 568 CE2 PHE A 38 0.430 8.481 -3.244 1.00 1.00 C ATOM 569 CZ PHE A 38 0.489 7.580 -2.171 1.00 1.00 C ATOM 0 H PHE A 38 5.562 6.995 -3.773 1.00 1.00 H new ATOM 0 HA PHE A 38 4.940 7.693 -6.513 1.00 1.00 H new ATOM 0 HB2 PHE A 38 2.634 7.622 -6.436 1.00 1.00 H new ATOM 0 HB3 PHE A 38 3.141 6.050 -5.852 1.00 1.00 H new ATOM 0 HD1 PHE A 38 3.041 5.599 -3.286 1.00 1.00 H new ATOM 0 HD2 PHE A 38 1.214 9.002 -5.180 1.00 1.00 H new ATOM 0 HE1 PHE A 38 1.483 5.848 -1.369 1.00 1.00 H new ATOM 0 HE2 PHE A 38 -0.274 9.300 -3.223 1.00 1.00 H new ATOM 0 HZ PHE A 38 -0.185 7.685 -1.334 1.00 1.00 H new ATOM 579 N VAL A 39 4.206 10.021 -5.565 1.00 1.00 N ATOM 580 CA VAL A 39 4.103 11.370 -5.040 1.00 1.00 C ATOM 581 C VAL A 39 2.730 11.486 -4.392 1.00 1.00 C ATOM 582 O VAL A 39 1.722 11.324 -5.074 1.00 1.00 O ATOM 583 CB VAL A 39 4.289 12.423 -6.158 1.00 1.00 C ATOM 584 CG1 VAL A 39 4.238 13.831 -5.556 1.00 1.00 C ATOM 585 CG2 VAL A 39 5.643 12.250 -6.868 1.00 1.00 C ATOM 0 H VAL A 39 3.912 9.934 -6.538 1.00 1.00 H new ATOM 0 HA VAL A 39 4.890 11.561 -4.310 1.00 1.00 H new ATOM 0 HB VAL A 39 3.486 12.284 -6.881 1.00 1.00 H new ATOM 0 HG11 VAL A 39 4.369 14.570 -6.347 1.00 1.00 H new ATOM 0 HG12 VAL A 39 3.274 13.985 -5.072 1.00 1.00 H new ATOM 0 HG13 VAL A 39 5.035 13.941 -4.820 1.00 1.00 H new ATOM 0 HG21 VAL A 39 5.744 13.005 -7.648 1.00 1.00 H new ATOM 0 HG22 VAL A 39 6.450 12.366 -6.145 1.00 1.00 H new ATOM 0 HG23 VAL A 39 5.695 11.257 -7.315 1.00 1.00 H new ATOM 595 N TYR A 40 2.692 11.706 -3.087 1.00 1.00 N ATOM 596 CA TYR A 40 1.492 11.983 -2.317 1.00 1.00 C ATOM 597 C TYR A 40 1.530 13.500 -2.045 1.00 1.00 C ATOM 598 O TYR A 40 2.577 14.132 -2.212 1.00 1.00 O ATOM 599 CB TYR A 40 1.492 11.086 -1.072 1.00 1.00 C ATOM 600 CG TYR A 40 0.571 11.500 0.043 1.00 1.00 C ATOM 601 CD1 TYR A 40 -0.813 11.628 -0.172 1.00 1.00 C ATOM 602 CD2 TYR A 40 1.122 11.792 1.299 1.00 1.00 C ATOM 603 CE1 TYR A 40 -1.635 12.094 0.866 1.00 1.00 C ATOM 604 CE2 TYR A 40 0.301 12.204 2.352 1.00 1.00 C ATOM 605 CZ TYR A 40 -1.086 12.372 2.137 1.00 1.00 C ATOM 606 OH TYR A 40 -1.871 12.846 3.133 1.00 1.00 O ATOM 0 H TYR A 40 3.534 11.696 -2.512 1.00 1.00 H new ATOM 0 HA TYR A 40 0.554 11.753 -2.822 1.00 1.00 H new ATOM 0 HB2 TYR A 40 1.226 10.074 -1.378 1.00 1.00 H new ATOM 0 HB3 TYR A 40 2.508 11.044 -0.680 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -1.241 11.369 -1.129 1.00 1.00 H new ATOM 0 HD2 TYR A 40 2.187 11.698 1.453 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -2.691 12.240 0.692 1.00 1.00 H new ATOM 0 HE2 TYR A 40 0.725 12.393 3.327 1.00 1.00 H new ATOM 0 HH TYR A 40 -2.677 13.251 2.750 1.00 1.00 H new ATOM 616 N GLY A 41 0.409 14.117 -1.666 1.00 1.00 N ATOM 617 CA GLY A 41 0.310 15.567 -1.514 1.00 1.00 C ATOM 618 C GLY A 41 0.276 16.068 -0.072 1.00 1.00 C ATOM 619 O GLY A 41 0.095 17.265 0.145 1.00 1.00 O ATOM 0 H GLY A 41 -0.458 13.622 -1.456 1.00 1.00 H new ATOM 0 HA2 GLY A 41 1.157 16.028 -2.022 1.00 1.00 H new ATOM 0 HA3 GLY A 41 -0.592 15.909 -2.022 1.00 1.00 H new ATOM 623 N GLY A 42 0.408 15.182 0.918 1.00 1.00 N ATOM 624 CA GLY A 42 0.512 15.512 2.341 1.00 1.00 C ATOM 625 C GLY A 42 -0.800 15.915 3.020 1.00 1.00 C ATOM 626 O GLY A 42 -0.874 15.890 4.244 1.00 1.00 O ATOM 0 H GLY A 42 0.447 14.178 0.744 1.00 1.00 H new ATOM 0 HA2 GLY A 42 0.924 14.651 2.867 1.00 1.00 H new ATOM 0 HA3 GLY A 42 1.226 16.327 2.456 1.00 1.00 H new ATOM 630 N CYS A 43 -1.824 16.256 2.244 1.00 1.00 N ATOM 631 CA CYS A 43 -3.192 16.549 2.653 1.00 1.00 C ATOM 632 C CYS A 43 -4.105 15.443 2.101 1.00 1.00 C ATOM 633 O CYS A 43 -3.582 14.391 1.722 1.00 1.00 O ATOM 634 CB CYS A 43 -3.562 17.987 2.311 1.00 1.00 C ATOM 635 SG CYS A 43 -3.921 18.332 0.583 1.00 1.00 S ATOM 0 H CYS A 43 -1.709 16.341 1.234 1.00 1.00 H new ATOM 0 HA CYS A 43 -3.319 16.520 3.735 1.00 1.00 H new ATOM 0 HB2 CYS A 43 -4.434 18.265 2.903 1.00 1.00 H new ATOM 0 HB3 CYS A 43 -2.743 18.634 2.626 1.00 1.00 H new ATOM 640 N GLU A 44 -5.427 15.575 2.225 1.00 1.00 N ATOM 641 CA GLU A 44 -6.440 14.571 1.874 1.00 1.00 C ATOM 642 C GLU A 44 -6.037 13.721 0.659 1.00 1.00 C ATOM 643 O GLU A 44 -5.635 14.244 -0.379 1.00 1.00 O ATOM 644 CB GLU A 44 -7.793 15.229 1.564 1.00 1.00 C ATOM 645 CG GLU A 44 -8.309 16.152 2.670 1.00 1.00 C ATOM 646 CD GLU A 44 -7.770 17.576 2.498 1.00 1.00 C ATOM 647 OE1 GLU A 44 -8.321 18.321 1.660 1.00 1.00 O ATOM 648 OE2 GLU A 44 -6.749 17.872 3.159 1.00 1.00 O ATOM 0 H GLU A 44 -5.845 16.430 2.592 1.00 1.00 H new ATOM 0 HA GLU A 44 -6.522 13.924 2.747 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -7.703 15.802 0.641 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -8.532 14.448 1.384 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -9.399 16.168 2.655 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -8.009 15.762 3.643 1.00 1.00 H new ATOM 655 N GLY A 45 -6.198 12.404 0.764 1.00 1.00 N ATOM 656 CA GLY A 45 -5.773 11.420 -0.217 1.00 1.00 C ATOM 657 C GLY A 45 -6.401 10.078 0.151 1.00 1.00 C ATOM 658 O GLY A 45 -7.262 10.028 1.033 1.00 1.00 O ATOM 0 H GLY A 45 -6.649 11.979 1.574 1.00 1.00 H new ATOM 0 HA2 GLY A 45 -6.082 11.723 -1.218 1.00 1.00 H new ATOM 0 HA3 GLY A 45 -4.686 11.340 -0.229 1.00 1.00 H new ATOM 662 N ASN A 46 -5.973 8.985 -0.490 1.00 1.00 N ATOM 663 CA ASN A 46 -6.586 7.681 -0.226 1.00 1.00 C ATOM 664 C ASN A 46 -5.788 6.959 0.856 1.00 1.00 C ATOM 665 O ASN A 46 -4.710 7.385 1.269 1.00 1.00 O ATOM 666 CB ASN A 46 -6.650 6.753 -1.456 1.00 1.00 C ATOM 667 CG ASN A 46 -7.363 7.300 -2.687 1.00 1.00 C ATOM 668 OD1 ASN A 46 -7.843 8.423 -2.713 1.00 1.00 O ATOM 669 ND2 ASN A 46 -7.478 6.507 -3.739 1.00 1.00 N ATOM 0 H ASN A 46 -5.222 8.976 -1.180 1.00 1.00 H new ATOM 0 HA ASN A 46 -7.611 7.891 0.080 1.00 1.00 H new ATOM 0 HB2 ASN A 46 -5.630 6.493 -1.740 1.00 1.00 H new ATOM 0 HB3 ASN A 46 -7.144 5.828 -1.159 1.00 1.00 H new ATOM 0 HD21 ASN A 46 -7.968 6.833 -4.572 1.00 1.00 H new ATOM 0 HD22 ASN A 46 -7.077 5.569 -3.717 1.00 1.00 H new ATOM 676 N GLY A 47 -6.312 5.800 1.246 1.00 1.00 N ATOM 677 CA GLY A 47 -5.794 4.977 2.333 1.00 1.00 C ATOM 678 C GLY A 47 -4.670 4.052 1.882 1.00 1.00 C ATOM 679 O GLY A 47 -3.973 3.493 2.721 1.00 1.00 O ATOM 0 H GLY A 47 -7.135 5.396 0.799 1.00 1.00 H new ATOM 0 HA2 GLY A 47 -5.430 5.623 3.131 1.00 1.00 H new ATOM 0 HA3 GLY A 47 -6.605 4.381 2.751 1.00 1.00 H new ATOM 683 N ASN A 48 -4.484 3.874 0.569 1.00 1.00 N ATOM 684 CA ASN A 48 -3.363 3.123 0.019 1.00 1.00 C ATOM 685 C ASN A 48 -2.171 4.071 0.034 1.00 1.00 C ATOM 686 O ASN A 48 -1.838 4.694 -0.976 1.00 1.00 O ATOM 687 CB ASN A 48 -3.705 2.594 -1.377 1.00 1.00 C ATOM 688 CG ASN A 48 -2.608 1.686 -1.945 1.00 1.00 C ATOM 689 OD1 ASN A 48 -1.578 1.420 -1.335 1.00 1.00 O ATOM 690 ND2 ASN A 48 -2.817 1.136 -3.122 1.00 1.00 N ATOM 0 H ASN A 48 -5.113 4.251 -0.140 1.00 1.00 H new ATOM 0 HA ASN A 48 -3.128 2.235 0.606 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -4.643 2.041 -1.333 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -3.862 3.435 -2.052 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -2.127 0.497 -3.516 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -3.670 1.349 -3.640 1.00 1.00 H new ATOM 697 N ASN A 49 -1.624 4.269 1.232 1.00 1.00 N ATOM 698 CA ASN A 49 -0.571 5.217 1.526 1.00 1.00 C ATOM 699 C ASN A 49 0.287 4.588 2.617 1.00 1.00 C ATOM 700 O ASN A 49 -0.154 4.428 3.754 1.00 1.00 O ATOM 701 CB ASN A 49 -1.246 6.516 2.003 1.00 1.00 C ATOM 702 CG ASN A 49 -0.281 7.672 2.215 1.00 1.00 C ATOM 703 OD1 ASN A 49 0.804 7.524 2.761 1.00 1.00 O ATOM 704 ND2 ASN A 49 -0.666 8.862 1.780 1.00 1.00 N ATOM 0 H ASN A 49 -1.922 3.746 2.055 1.00 1.00 H new ATOM 0 HA ASN A 49 0.058 5.451 0.667 1.00 1.00 H new ATOM 0 HB2 ASN A 49 -1.997 6.813 1.271 1.00 1.00 H new ATOM 0 HB3 ASN A 49 -1.771 6.319 2.937 1.00 1.00 H new ATOM 0 HD21 ASN A 49 -0.055 9.670 1.898 1.00 1.00 H new ATOM 0 HD22 ASN A 49 -1.573 8.970 1.327 1.00 1.00 H new ATOM 711 N PHE A 50 1.527 4.260 2.274 1.00 1.00 N ATOM 712 CA PHE A 50 2.468 3.545 3.116 1.00 1.00 C ATOM 713 C PHE A 50 3.704 4.392 3.293 1.00 1.00 C ATOM 714 O PHE A 50 4.002 5.289 2.499 1.00 1.00 O ATOM 715 CB PHE A 50 2.754 2.157 2.525 1.00 1.00 C ATOM 716 CG PHE A 50 1.509 1.297 2.624 1.00 1.00 C ATOM 717 CD1 PHE A 50 1.126 0.782 3.876 1.00 1.00 C ATOM 718 CD2 PHE A 50 0.657 1.130 1.515 1.00 1.00 C ATOM 719 CE1 PHE A 50 -0.106 0.126 4.023 1.00 1.00 C ATOM 720 CE2 PHE A 50 -0.560 0.439 1.659 1.00 1.00 C ATOM 721 CZ PHE A 50 -0.949 -0.051 2.915 1.00 1.00 C ATOM 0 H PHE A 50 1.917 4.497 1.362 1.00 1.00 H new ATOM 0 HA PHE A 50 2.051 3.369 4.107 1.00 1.00 H new ATOM 0 HB2 PHE A 50 3.062 2.250 1.484 1.00 1.00 H new ATOM 0 HB3 PHE A 50 3.578 1.685 3.060 1.00 1.00 H new ATOM 0 HD1 PHE A 50 1.782 0.892 4.727 1.00 1.00 H new ATOM 0 HD2 PHE A 50 0.938 1.533 0.553 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -0.406 -0.244 4.992 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -1.197 0.285 0.800 1.00 1.00 H new ATOM 0 HZ PHE A 50 -1.893 -0.562 3.029 1.00 1.00 H new ATOM 731 N HIS A 51 4.491 4.037 4.302 1.00 1.00 N ATOM 732 CA HIS A 51 5.643 4.829 4.700 1.00 1.00 C ATOM 733 C HIS A 51 6.907 4.344 4.015 1.00 1.00 C ATOM 734 O HIS A 51 7.886 5.080 3.941 1.00 1.00 O ATOM 735 CB HIS A 51 5.868 4.654 6.206 1.00 1.00 C ATOM 736 CG HIS A 51 4.605 4.701 7.033 1.00 1.00 C ATOM 737 ND1 HIS A 51 3.887 5.818 7.422 1.00 1.00 N ATOM 738 CD2 HIS A 51 3.916 3.592 7.424 1.00 1.00 C ATOM 739 CE1 HIS A 51 2.770 5.375 8.045 1.00 1.00 C ATOM 740 NE2 HIS A 51 2.770 4.023 8.061 1.00 1.00 N ATOM 0 H HIS A 51 4.348 3.197 4.863 1.00 1.00 H new ATOM 0 HA HIS A 51 5.445 5.866 4.428 1.00 1.00 H new ATOM 0 HB2 HIS A 51 6.366 3.700 6.379 1.00 1.00 H new ATOM 0 HB3 HIS A 51 6.545 5.434 6.553 1.00 1.00 H new ATOM 0 HD2 HIS A 51 4.212 2.566 7.265 1.00 1.00 H new ATOM 0 HE1 HIS A 51 1.999 6.004 8.464 1.00 1.00 H new ATOM 0 HE2 HIS A 51 2.051 3.427 8.471 1.00 1.00 H new ATOM 749 N SER A 52 6.862 3.136 3.478 1.00 1.00 N ATOM 750 CA SER A 52 8.018 2.476 2.921 1.00 1.00 C ATOM 751 C SER A 52 7.558 1.301 2.068 1.00 1.00 C ATOM 752 O SER A 52 6.372 0.965 2.020 1.00 1.00 O ATOM 753 CB SER A 52 8.878 1.994 4.112 1.00 1.00 C ATOM 754 OG SER A 52 8.049 1.457 5.130 1.00 1.00 O ATOM 0 H SER A 52 6.007 2.583 3.419 1.00 1.00 H new ATOM 0 HA SER A 52 8.601 3.143 2.286 1.00 1.00 H new ATOM 0 HB2 SER A 52 9.588 1.239 3.775 1.00 1.00 H new ATOM 0 HB3 SER A 52 9.461 2.825 4.509 1.00 1.00 H new ATOM 0 HG SER A 52 8.277 1.870 5.989 1.00 1.00 H new ATOM 760 N ARG A 53 8.520 0.685 1.383 1.00 1.00 N ATOM 761 CA ARG A 53 8.300 -0.539 0.624 1.00 1.00 C ATOM 762 C ARG A 53 7.807 -1.612 1.590 1.00 1.00 C ATOM 763 O ARG A 53 6.822 -2.279 1.308 1.00 1.00 O ATOM 764 CB ARG A 53 9.612 -0.926 -0.057 1.00 1.00 C ATOM 765 CG ARG A 53 9.494 -2.228 -0.838 1.00 1.00 C ATOM 766 CD ARG A 53 8.522 -2.203 -2.018 1.00 1.00 C ATOM 767 NE ARG A 53 8.455 -3.546 -2.592 1.00 1.00 N ATOM 768 CZ ARG A 53 8.705 -3.989 -3.825 1.00 1.00 C ATOM 769 NH1 ARG A 53 8.799 -3.168 -4.865 1.00 1.00 N ATOM 770 NH2 ARG A 53 8.856 -5.291 -4.002 1.00 1.00 N ATOM 0 H ARG A 53 9.480 1.026 1.341 1.00 1.00 H new ATOM 0 HA ARG A 53 7.547 -0.411 -0.153 1.00 1.00 H new ATOM 0 HB2 ARG A 53 9.919 -0.127 -0.731 1.00 1.00 H new ATOM 0 HB3 ARG A 53 10.394 -1.026 0.696 1.00 1.00 H new ATOM 0 HG2 ARG A 53 10.482 -2.499 -1.210 1.00 1.00 H new ATOM 0 HG3 ARG A 53 9.184 -3.016 -0.152 1.00 1.00 H new ATOM 0 HD2 ARG A 53 7.534 -1.882 -1.688 1.00 1.00 H new ATOM 0 HD3 ARG A 53 8.856 -1.486 -2.769 1.00 1.00 H new ATOM 0 HE ARG A 53 8.167 -4.271 -1.935 1.00 1.00 H new ATOM 0 HH11 ARG A 53 8.679 -2.164 -4.734 1.00 1.00 H new ATOM 0 HH12 ARG A 53 8.991 -3.542 -5.794 1.00 1.00 H new ATOM 0 HH21 ARG A 53 8.780 -5.926 -3.207 1.00 1.00 H new ATOM 0 HH22 ARG A 53 9.048 -5.660 -4.933 1.00 1.00 H new ATOM 784 N GLU A 54 8.515 -1.710 2.711 1.00 1.00 N ATOM 785 CA GLU A 54 8.258 -2.523 3.884 1.00 1.00 C ATOM 786 C GLU A 54 6.809 -2.468 4.319 1.00 1.00 C ATOM 787 O GLU A 54 6.103 -3.433 4.070 1.00 1.00 O ATOM 788 CB GLU A 54 9.248 -1.943 4.915 1.00 1.00 C ATOM 789 CG GLU A 54 9.037 -2.116 6.429 1.00 1.00 C ATOM 790 CD GLU A 54 8.678 -0.732 7.004 1.00 1.00 C ATOM 791 OE1 GLU A 54 9.514 0.195 6.875 1.00 1.00 O ATOM 792 OE2 GLU A 54 7.492 -0.477 7.285 1.00 1.00 O ATOM 0 H GLU A 54 9.369 -1.164 2.827 1.00 1.00 H new ATOM 0 HA GLU A 54 8.410 -3.590 3.723 1.00 1.00 H new ATOM 0 HB2 GLU A 54 10.227 -2.363 4.683 1.00 1.00 H new ATOM 0 HB3 GLU A 54 9.308 -0.871 4.726 1.00 1.00 H new ATOM 0 HG2 GLU A 54 8.240 -2.832 6.626 1.00 1.00 H new ATOM 0 HG3 GLU A 54 9.939 -2.506 6.900 1.00 1.00 H new ATOM 799 N SER A 55 6.331 -1.323 4.789 1.00 1.00 N ATOM 800 CA SER A 55 4.973 -1.232 5.339 1.00 1.00 C ATOM 801 C SER A 55 3.895 -1.608 4.321 1.00 1.00 C ATOM 802 O SER A 55 2.820 -2.081 4.671 1.00 1.00 O ATOM 803 CB SER A 55 4.705 0.123 6.009 1.00 1.00 C ATOM 804 OG SER A 55 5.263 1.243 5.325 1.00 1.00 O ATOM 0 H SER A 55 6.854 -0.447 4.803 1.00 1.00 H new ATOM 0 HA SER A 55 4.913 -1.982 6.127 1.00 1.00 H new ATOM 0 HB2 SER A 55 3.628 0.265 6.094 1.00 1.00 H new ATOM 0 HB3 SER A 55 5.104 0.097 7.023 1.00 1.00 H new ATOM 0 HG SER A 55 6.238 1.233 5.422 1.00 1.00 H new ATOM 810 N CYS A 56 4.147 -1.303 3.055 1.00 1.00 N ATOM 811 CA CYS A 56 3.230 -1.585 1.975 1.00 1.00 C ATOM 812 C CYS A 56 3.116 -3.066 1.677 1.00 1.00 C ATOM 813 O CYS A 56 2.012 -3.599 1.527 1.00 1.00 O ATOM 814 CB CYS A 56 3.789 -0.853 0.754 1.00 1.00 C ATOM 815 SG CYS A 56 2.672 -0.695 -0.642 1.00 1.00 S ATOM 0 H CYS A 56 5.008 -0.847 2.752 1.00 1.00 H new ATOM 0 HA CYS A 56 2.226 -1.255 2.243 1.00 1.00 H new ATOM 0 HB2 CYS A 56 4.098 0.146 1.063 1.00 1.00 H new ATOM 0 HB3 CYS A 56 4.686 -1.375 0.420 1.00 1.00 H new ATOM 820 N GLU A 57 4.265 -3.714 1.518 1.00 1.00 N ATOM 821 CA GLU A 57 4.247 -5.142 1.265 1.00 1.00 C ATOM 822 C GLU A 57 3.787 -5.853 2.524 1.00 1.00 C ATOM 823 O GLU A 57 3.082 -6.839 2.398 1.00 1.00 O ATOM 824 CB GLU A 57 5.502 -5.627 0.529 1.00 1.00 C ATOM 825 CG GLU A 57 5.399 -4.978 -0.871 1.00 1.00 C ATOM 826 CD GLU A 57 6.291 -5.506 -1.984 1.00 1.00 C ATOM 827 OE1 GLU A 57 7.435 -5.951 -1.731 1.00 1.00 O ATOM 828 OE2 GLU A 57 5.932 -5.244 -3.156 1.00 1.00 O ATOM 0 H GLU A 57 5.190 -3.287 1.559 1.00 1.00 H new ATOM 0 HA GLU A 57 3.500 -5.425 0.523 1.00 1.00 H new ATOM 0 HB2 GLU A 57 6.411 -5.317 1.045 1.00 1.00 H new ATOM 0 HB3 GLU A 57 5.529 -6.715 0.462 1.00 1.00 H new ATOM 0 HG2 GLU A 57 4.365 -5.070 -1.203 1.00 1.00 H new ATOM 0 HG3 GLU A 57 5.604 -3.913 -0.759 1.00 1.00 H new ATOM 835 N ASP A 58 4.111 -5.342 3.710 1.00 1.00 N ATOM 836 CA ASP A 58 3.603 -5.858 4.979 1.00 1.00 C ATOM 837 C ASP A 58 2.070 -5.747 4.990 1.00 1.00 C ATOM 838 O ASP A 58 1.407 -6.681 5.438 1.00 1.00 O ATOM 839 CB ASP A 58 4.222 -5.074 6.141 1.00 1.00 C ATOM 840 CG ASP A 58 3.708 -5.536 7.507 1.00 1.00 C ATOM 841 OD1 ASP A 58 4.107 -6.648 7.919 1.00 1.00 O ATOM 842 OD2 ASP A 58 2.999 -4.732 8.155 1.00 1.00 O ATOM 0 H ASP A 58 4.742 -4.548 3.818 1.00 1.00 H new ATOM 0 HA ASP A 58 3.878 -6.906 5.094 1.00 1.00 H new ATOM 0 HB2 ASP A 58 5.306 -5.182 6.110 1.00 1.00 H new ATOM 0 HB3 ASP A 58 4.004 -4.013 6.015 1.00 1.00 H new ATOM 847 N ALA A 59 1.478 -4.680 4.410 1.00 1.00 N ATOM 848 CA ALA A 59 0.022 -4.609 4.317 1.00 1.00 C ATOM 849 C ALA A 59 -0.562 -5.617 3.317 1.00 1.00 C ATOM 850 O ALA A 59 -1.625 -6.180 3.582 1.00 1.00 O ATOM 851 CB ALA A 59 -0.412 -3.189 3.967 1.00 1.00 C ATOM 0 H ALA A 59 1.977 -3.884 4.013 1.00 1.00 H new ATOM 0 HA ALA A 59 -0.375 -4.879 5.295 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -1.499 -3.147 3.900 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -0.069 -2.503 4.741 1.00 1.00 H new ATOM 0 HB3 ALA A 59 0.022 -2.902 3.009 1.00 1.00 H new ATOM 857 N CYS A 60 0.080 -5.843 2.162 1.00 1.00 N ATOM 858 CA CYS A 60 -0.376 -6.832 1.184 1.00 1.00 C ATOM 859 C CYS A 60 0.743 -7.791 0.729 1.00 1.00 C ATOM 860 O CYS A 60 1.166 -7.725 -0.429 1.00 1.00 O ATOM 861 CB CYS A 60 -1.110 -6.117 0.035 1.00 1.00 C ATOM 862 SG CYS A 60 -2.842 -5.706 0.424 1.00 1.00 S ATOM 0 H CYS A 60 0.926 -5.346 1.883 1.00 1.00 H new ATOM 0 HA CYS A 60 -1.095 -7.497 1.663 1.00 1.00 H new ATOM 0 HB2 CYS A 60 -0.574 -5.201 -0.213 1.00 1.00 H new ATOM 0 HB3 CYS A 60 -1.085 -6.751 -0.851 1.00 1.00 H new ATOM 867 N PRO A 61 1.160 -8.754 1.577 1.00 1.00 N ATOM 868 CA PRO A 61 2.292 -9.649 1.324 1.00 1.00 C ATOM 869 C PRO A 61 1.840 -10.901 0.570 1.00 1.00 C ATOM 870 O PRO A 61 2.204 -12.027 0.913 1.00 1.00 O ATOM 871 CB PRO A 61 2.836 -9.975 2.728 1.00 1.00 C ATOM 872 CG PRO A 61 1.567 -10.011 3.578 1.00 1.00 C ATOM 873 CD PRO A 61 0.687 -8.933 2.944 1.00 1.00 C ATOM 0 HA PRO A 61 3.058 -9.200 0.691 1.00 1.00 H new ATOM 0 HB2 PRO A 61 3.363 -10.929 2.747 1.00 1.00 H new ATOM 0 HB3 PRO A 61 3.536 -9.216 3.077 1.00 1.00 H new ATOM 0 HG2 PRO A 61 1.089 -10.990 3.546 1.00 1.00 H new ATOM 0 HG3 PRO A 61 1.778 -9.793 4.625 1.00 1.00 H new ATOM 0 HD2 PRO A 61 -0.361 -9.234 2.954 1.00 1.00 H new ATOM 0 HD3 PRO A 61 0.756 -8.000 3.502 1.00 1.00 H new ATOM 881 N VAL A 62 1.007 -10.728 -0.455 1.00 1.00 N ATOM 882 CA VAL A 62 0.403 -11.854 -1.155 1.00 1.00 C ATOM 883 C VAL A 62 0.278 -11.540 -2.646 1.00 1.00 C ATOM 884 O VAL A 62 0.410 -10.395 -3.098 1.00 1.00 O ATOM 885 CB VAL A 62 -0.992 -12.180 -0.536 1.00 1.00 C ATOM 886 CG1 VAL A 62 -1.462 -13.619 -0.834 1.00 1.00 C ATOM 887 CG2 VAL A 62 -1.103 -11.987 0.990 1.00 1.00 C ATOM 0 H VAL A 62 0.736 -9.814 -0.818 1.00 1.00 H new ATOM 0 HA VAL A 62 1.042 -12.730 -1.043 1.00 1.00 H new ATOM 0 HB VAL A 62 -1.628 -11.444 -1.028 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -2.438 -13.785 -0.377 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -1.537 -13.761 -1.912 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -0.744 -14.329 -0.423 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -2.112 -12.241 1.316 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -0.385 -12.636 1.492 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -0.891 -10.948 1.242 1.00 1.00 H new ATOM 897 N VAL A 63 0.013 -12.608 -3.400 1.00 1.00 N ATOM 898 CA VAL A 63 -0.297 -12.584 -4.820 1.00 1.00 C ATOM 899 C VAL A 63 -1.574 -11.744 -4.919 1.00 1.00 C ATOM 900 O VAL A 63 -2.340 -11.639 -3.949 1.00 1.00 O ATOM 901 CB VAL A 63 -0.514 -14.027 -5.320 1.00 1.00 C ATOM 902 CG1 VAL A 63 -0.947 -14.163 -6.788 1.00 1.00 C ATOM 903 CG2 VAL A 63 0.743 -14.890 -5.106 1.00 1.00 C ATOM 0 H VAL A 63 0.010 -13.553 -3.015 1.00 1.00 H new ATOM 0 HA VAL A 63 0.498 -12.162 -5.435 1.00 1.00 H new ATOM 0 HB VAL A 63 -1.347 -14.380 -4.713 1.00 1.00 H new ATOM 0 HG11 VAL A 63 -1.071 -15.217 -7.035 1.00 1.00 H new ATOM 0 HG12 VAL A 63 -1.892 -13.642 -6.938 1.00 1.00 H new ATOM 0 HG13 VAL A 63 -0.185 -13.727 -7.434 1.00 1.00 H new ATOM 0 HG21 VAL A 63 0.557 -15.901 -5.469 1.00 1.00 H new ATOM 0 HG22 VAL A 63 1.580 -14.456 -5.654 1.00 1.00 H new ATOM 0 HG23 VAL A 63 0.984 -14.925 -4.044 1.00 1.00 H new ATOM 913 N ASP A 64 -1.824 -11.145 -6.080 1.00 1.00 N ATOM 914 CA ASP A 64 -2.959 -10.241 -6.162 1.00 1.00 C ATOM 915 C ASP A 64 -4.260 -11.012 -5.929 1.00 1.00 C ATOM 916 O ASP A 64 -4.463 -12.135 -6.391 1.00 1.00 O ATOM 917 CB ASP A 64 -3.036 -9.393 -7.438 1.00 1.00 C ATOM 918 CG ASP A 64 -4.263 -8.477 -7.330 1.00 1.00 C ATOM 919 OD1 ASP A 64 -4.423 -7.826 -6.267 1.00 1.00 O ATOM 920 OD2 ASP A 64 -5.138 -8.549 -8.219 1.00 1.00 O ATOM 0 H ASP A 64 -1.284 -11.262 -6.937 1.00 1.00 H new ATOM 0 HA ASP A 64 -2.807 -9.510 -5.368 1.00 1.00 H new ATOM 0 HB2 ASP A 64 -2.129 -8.801 -7.557 1.00 1.00 H new ATOM 0 HB3 ASP A 64 -3.116 -10.034 -8.316 1.00 1.00 H new ATOM 925 N HIS A 65 -5.162 -10.335 -5.231 1.00 1.00 N ATOM 926 CA HIS A 65 -6.479 -10.712 -4.750 1.00 1.00 C ATOM 927 C HIS A 65 -7.403 -11.218 -5.870 1.00 1.00 C ATOM 928 O HIS A 65 -8.478 -11.730 -5.577 1.00 1.00 O ATOM 929 CB HIS A 65 -7.078 -9.481 -4.027 1.00 1.00 C ATOM 930 CG HIS A 65 -6.089 -8.699 -3.168 1.00 1.00 C ATOM 931 ND1 HIS A 65 -5.118 -7.825 -3.644 1.00 1.00 N ATOM 932 CD2 HIS A 65 -5.940 -8.786 -1.808 1.00 1.00 C ATOM 933 CE1 HIS A 65 -4.374 -7.430 -2.596 1.00 1.00 C ATOM 934 NE2 HIS A 65 -4.875 -7.967 -1.465 1.00 1.00 N ATOM 0 H HIS A 65 -4.954 -9.376 -4.953 1.00 1.00 H new ATOM 0 HA HIS A 65 -6.385 -11.553 -4.063 1.00 1.00 H new ATOM 0 HB2 HIS A 65 -7.500 -8.808 -4.774 1.00 1.00 H new ATOM 0 HB3 HIS A 65 -7.902 -9.813 -3.396 1.00 1.00 H new ATOM 0 HD1 HIS A 65 -4.993 -7.535 -4.614 1.00 1.00 H new ATOM 0 HD2 HIS A 65 -6.538 -9.379 -1.132 1.00 1.00 H new ATOM 0 HE1 HIS A 65 -3.510 -6.784 -2.651 1.00 1.00 H new ATOM 943 N HIS A 66 -6.985 -11.116 -7.135 1.00 1.00 N ATOM 944 CA HIS A 66 -7.662 -11.396 -8.399 1.00 1.00 C ATOM 945 C HIS A 66 -8.344 -12.762 -8.579 1.00 1.00 C ATOM 946 O HIS A 66 -8.784 -13.039 -9.703 1.00 1.00 O ATOM 947 CB HIS A 66 -6.645 -11.179 -9.537 1.00 1.00 C ATOM 948 CG HIS A 66 -7.221 -10.340 -10.640 1.00 1.00 C ATOM 949 ND1 HIS A 66 -8.286 -10.702 -11.439 1.00 1.00 N ATOM 950 CD2 HIS A 66 -6.860 -9.056 -10.937 1.00 1.00 C ATOM 951 CE1 HIS A 66 -8.563 -9.645 -12.231 1.00 1.00 C ATOM 952 NE2 HIS A 66 -7.706 -8.638 -11.946 1.00 1.00 N ATOM 0 H HIS A 66 -6.035 -10.791 -7.316 1.00 1.00 H new ATOM 0 HA HIS A 66 -8.505 -10.706 -8.411 1.00 1.00 H new ATOM 0 HB2 HIS A 66 -5.752 -10.696 -9.140 1.00 1.00 H new ATOM 0 HB3 HIS A 66 -6.335 -12.144 -9.937 1.00 1.00 H new ATOM 0 HD1 HIS A 66 -8.772 -11.599 -11.432 1.00 1.00 H new ATOM 0 HD2 HIS A 66 -6.070 -8.482 -10.475 1.00 1.00 H new ATOM 0 HE1 HIS A 66 -9.345 -9.609 -12.975 1.00 1.00 H new ATOM 961 N HIS A 67 -8.385 -13.641 -7.573 1.00 1.00 N ATOM 962 CA HIS A 67 -9.130 -14.900 -7.636 1.00 1.00 C ATOM 963 C HIS A 67 -10.634 -14.572 -7.738 1.00 1.00 C ATOM 964 O HIS A 67 -11.013 -13.404 -7.714 1.00 1.00 O ATOM 965 CB HIS A 67 -8.763 -15.765 -6.414 1.00 1.00 C ATOM 966 CG HIS A 67 -9.396 -17.138 -6.418 1.00 1.00 C ATOM 967 ND1 HIS A 67 -10.354 -17.583 -5.522 1.00 1.00 N ATOM 968 CD2 HIS A 67 -9.263 -18.082 -7.404 1.00 1.00 C ATOM 969 CE1 HIS A 67 -10.807 -18.767 -5.973 1.00 1.00 C ATOM 970 NE2 HIS A 67 -10.165 -19.088 -7.112 1.00 1.00 N ATOM 0 H HIS A 67 -7.899 -13.497 -6.688 1.00 1.00 H new ATOM 0 HA HIS A 67 -8.869 -15.486 -8.517 1.00 1.00 H new ATOM 0 HB2 HIS A 67 -7.679 -15.876 -6.373 1.00 1.00 H new ATOM 0 HB3 HIS A 67 -9.064 -15.240 -5.507 1.00 1.00 H new ATOM 0 HD2 HIS A 67 -8.586 -18.046 -8.245 1.00 1.00 H new ATOM 0 HE1 HIS A 67 -11.568 -19.367 -5.495 1.00 1.00 H new ATOM 0 HE2 HIS A 67 -10.318 -19.931 -7.666 1.00 1.00 H new ATOM 979 N HIS A 68 -11.505 -15.577 -7.878 1.00 1.00 N ATOM 980 CA HIS A 68 -12.938 -15.371 -8.056 1.00 1.00 C ATOM 981 C HIS A 68 -13.756 -16.312 -7.180 1.00 1.00 C ATOM 982 O HIS A 68 -13.206 -17.031 -6.343 1.00 1.00 O ATOM 983 CB HIS A 68 -13.275 -15.426 -9.568 1.00 1.00 C ATOM 984 CG HIS A 68 -13.469 -14.062 -10.194 1.00 1.00 C ATOM 985 ND1 HIS A 68 -13.177 -12.843 -9.605 1.00 1.00 N ATOM 986 CD2 HIS A 68 -14.252 -13.814 -11.289 1.00 1.00 C ATOM 987 CE1 HIS A 68 -13.815 -11.890 -10.298 1.00 1.00 C ATOM 988 NE2 HIS A 68 -14.454 -12.450 -11.340 1.00 1.00 N ATOM 0 H HIS A 68 -11.230 -16.559 -7.870 1.00 1.00 H new ATOM 0 HA HIS A 68 -13.223 -14.378 -7.708 1.00 1.00 H new ATOM 0 HB2 HIS A 68 -12.473 -15.947 -10.092 1.00 1.00 H new ATOM 0 HB3 HIS A 68 -14.182 -16.014 -9.709 1.00 1.00 H new ATOM 0 HD2 HIS A 68 -14.638 -14.547 -11.982 1.00 1.00 H new ATOM 0 HE1 HIS A 68 -13.816 -10.837 -10.057 1.00 1.00 H new ATOM 0 HE2 HIS A 68 -14.995 -11.952 -12.047 1.00 1.00 H new ATOM 997 N HIS A 69 -15.084 -16.307 -7.359 1.00 1.00 N ATOM 998 CA HIS A 69 -16.023 -17.229 -6.700 1.00 1.00 C ATOM 999 C HIS A 69 -15.671 -18.702 -6.960 1.00 1.00 C ATOM 1000 O HIS A 69 -16.252 -19.581 -6.333 1.00 1.00 O ATOM 1001 CB HIS A 69 -17.475 -16.954 -7.147 1.00 1.00 C ATOM 1002 CG HIS A 69 -17.884 -15.505 -7.051 1.00 1.00 C ATOM 1003 ND1 HIS A 69 -18.384 -14.854 -5.931 1.00 1.00 N ATOM 1004 CD2 HIS A 69 -17.685 -14.574 -8.033 1.00 1.00 C ATOM 1005 CE1 HIS A 69 -18.452 -13.542 -6.228 1.00 1.00 C ATOM 1006 NE2 HIS A 69 -18.016 -13.355 -7.490 1.00 1.00 N ATOM 0 H HIS A 69 -15.548 -15.645 -7.982 1.00 1.00 H new ATOM 0 HA HIS A 69 -15.936 -17.047 -5.629 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -17.596 -17.287 -8.178 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -18.151 -17.553 -6.537 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -18.650 -15.289 -5.047 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -17.336 -14.760 -9.038 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -18.800 -12.765 -5.563 1.00 1.00 H new ATOM 1015 N HIS A 70 -14.778 -18.987 -7.906 1.00 1.00 N ATOM 1016 CA HIS A 70 -14.206 -20.272 -8.233 1.00 1.00 C ATOM 1017 C HIS A 70 -12.751 -19.945 -8.555 1.00 1.00 C ATOM 1018 O HIS A 70 -11.896 -20.847 -8.406 1.00 1.00 O ATOM 1019 CB HIS A 70 -14.945 -20.923 -9.410 1.00 1.00 C ATOM 1020 CG HIS A 70 -14.576 -22.375 -9.609 1.00 1.00 C ATOM 1021 ND1 HIS A 70 -13.314 -22.913 -9.440 1.00 1.00 N ATOM 1022 CD2 HIS A 70 -15.434 -23.386 -9.940 1.00 1.00 C ATOM 1023 CE1 HIS A 70 -13.400 -24.237 -9.675 1.00 1.00 C ATOM 1024 NE2 HIS A 70 -14.680 -24.547 -9.982 1.00 1.00 N ATOM 1025 OXT HIS A 70 -12.465 -18.773 -8.882 1.00 1.00 O ATOM 0 H HIS A 70 -14.410 -18.253 -8.511 1.00 1.00 H new ATOM 0 HA HIS A 70 -14.288 -21.001 -7.427 1.00 1.00 H new ATOM 0 HB2 HIS A 70 -16.020 -20.846 -9.244 1.00 1.00 H new ATOM 0 HB3 HIS A 70 -14.723 -20.369 -10.322 1.00 1.00 H new ATOM 0 HD1 HIS A 70 -12.470 -22.400 -9.184 1.00 1.00 H new ATOM 0 HD2 HIS A 70 -16.493 -23.297 -10.131 1.00 1.00 H new ATOM 0 HE1 HIS A 70 -12.579 -24.937 -9.626 1.00 1.00 H new TER 1034 HIS A 70