USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 562 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 5 GLN : amide:sc= -5.15! C(o=-4.9!,f=-4.7!) USER MOD Set 1.2: A 8 LYS NZ :NH3+ -143:sc= 0.29 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00681 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.491 X(o=-0.49,f=-0.92) USER MOD Single : A 29 HIS : no HD1:sc= -6.93! K(o=-6.9!,f=-5) USER MOD Single : A 32 SER OG : rot -120:sc= 0.733 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.38 X(o=-1.4,f=-0.91) USER MOD Single : A 38 GLN : amide:sc= -4.53! K(o=-4.5!,f=-2.2) USER MOD Single : A 50 GLN : amide:sc= -2.24! K(o=-2.2!,f=-1.3) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -1.4! K(o=-1.4!,f=-0.03) USER MOD Single : A 66 THR OG1 : rot -160:sc= -0.773 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.101 6.761 -3.500 1.00 0.00 N ATOM 2 CA MET A 1 14.772 7.021 -4.907 1.00 0.00 C ATOM 3 C MET A 1 13.345 7.549 -5.040 1.00 0.00 C ATOM 4 O MET A 1 13.127 8.746 -5.210 1.00 0.00 O ATOM 5 CB MET A 1 14.959 5.760 -5.763 1.00 0.00 C ATOM 6 CG MET A 1 14.509 5.923 -7.208 1.00 0.00 C ATOM 7 SD MET A 1 14.455 4.355 -8.096 1.00 0.00 S ATOM 8 CE MET A 1 13.758 4.879 -9.661 1.00 0.00 C ATOM 0 H1 MET A 1 16.075 6.403 -3.432 1.00 0.00 H new ATOM 0 H2 MET A 1 15.017 7.643 -2.955 1.00 0.00 H new ATOM 0 H3 MET A 1 14.444 6.053 -3.115 1.00 0.00 H new ATOM 0 HA MET A 1 15.459 7.783 -5.274 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.012 5.477 -5.750 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.403 4.939 -5.310 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.521 6.382 -7.228 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.187 6.604 -7.722 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.661 4.018 -10.323 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.775 5.319 -9.492 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.413 5.619 -10.121 1.00 0.00 H new ATOM 18 N SER A 2 12.388 6.645 -4.949 1.00 0.00 N ATOM 19 CA SER A 2 10.974 6.978 -4.995 1.00 0.00 C ATOM 20 C SER A 2 10.187 5.766 -4.529 1.00 0.00 C ATOM 21 O SER A 2 9.045 5.542 -4.923 1.00 0.00 O ATOM 22 CB SER A 2 10.554 7.390 -6.413 1.00 0.00 C ATOM 23 OG SER A 2 10.980 6.437 -7.378 1.00 0.00 O ATOM 0 H SER A 2 12.571 5.647 -4.840 1.00 0.00 H new ATOM 0 HA SER A 2 10.772 7.826 -4.341 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.470 7.495 -6.457 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.978 8.365 -6.651 1.00 0.00 H new ATOM 0 HG SER A 2 10.696 6.726 -8.270 1.00 0.00 H new ATOM 29 N ALA A 3 10.834 4.988 -3.677 1.00 0.00 N ATOM 30 CA ALA A 3 10.325 3.712 -3.248 1.00 0.00 C ATOM 31 C ALA A 3 10.889 3.363 -1.892 1.00 0.00 C ATOM 32 O ALA A 3 11.825 2.578 -1.765 1.00 0.00 O ATOM 33 CB ALA A 3 10.680 2.654 -4.265 1.00 0.00 C ATOM 0 H ALA A 3 11.734 5.234 -3.265 1.00 0.00 H new ATOM 0 HA ALA A 3 9.239 3.763 -3.165 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.293 1.689 -3.937 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.240 2.913 -5.228 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.764 2.595 -4.365 1.00 0.00 H new ATOM 39 N VAL A 4 10.316 3.971 -0.889 1.00 0.00 N ATOM 40 CA VAL A 4 10.736 3.755 0.477 1.00 0.00 C ATOM 41 C VAL A 4 9.792 2.774 1.168 1.00 0.00 C ATOM 42 O VAL A 4 8.579 2.792 0.945 1.00 0.00 O ATOM 43 CB VAL A 4 10.800 5.090 1.248 1.00 0.00 C ATOM 44 CG1 VAL A 4 9.421 5.643 1.518 1.00 0.00 C ATOM 45 CG2 VAL A 4 11.598 4.950 2.535 1.00 0.00 C ATOM 0 H VAL A 4 9.545 4.631 -0.991 1.00 0.00 H new ATOM 0 HA VAL A 4 11.738 3.325 0.469 1.00 0.00 H new ATOM 0 HB VAL A 4 11.321 5.806 0.612 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.506 6.583 2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.907 5.816 0.573 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.853 4.929 2.114 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.623 5.908 3.053 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.128 4.203 3.175 1.00 0.00 H new ATOM 0 HG23 VAL A 4 12.615 4.638 2.300 1.00 0.00 H new ATOM 55 N GLN A 5 10.371 1.887 1.960 1.00 0.00 N ATOM 56 CA GLN A 5 9.618 0.862 2.665 1.00 0.00 C ATOM 57 C GLN A 5 8.582 1.497 3.584 1.00 0.00 C ATOM 58 O GLN A 5 8.922 2.166 4.560 1.00 0.00 O ATOM 59 CB GLN A 5 10.581 -0.011 3.480 1.00 0.00 C ATOM 60 CG GLN A 5 10.116 -1.445 3.703 1.00 0.00 C ATOM 61 CD GLN A 5 8.797 -1.552 4.439 1.00 0.00 C ATOM 62 OE1 GLN A 5 8.750 -1.557 5.664 1.00 0.00 O ATOM 63 NE2 GLN A 5 7.716 -1.682 3.693 1.00 0.00 N ATOM 0 H GLN A 5 11.376 1.857 2.133 1.00 0.00 H new ATOM 0 HA GLN A 5 9.096 0.242 1.936 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.546 -0.032 2.973 1.00 0.00 H new ATOM 0 HB3 GLN A 5 10.741 0.459 4.451 1.00 0.00 H new ATOM 0 HG2 GLN A 5 10.024 -1.942 2.737 1.00 0.00 H new ATOM 0 HG3 GLN A 5 10.880 -1.982 4.266 1.00 0.00 H new ATOM 0 HE21 GLN A 5 7.794 -1.673 2.676 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.803 -1.791 4.133 1.00 0.00 H new ATOM 72 N VAL A 6 7.322 1.295 3.249 1.00 0.00 N ATOM 73 CA VAL A 6 6.228 1.795 4.057 1.00 0.00 C ATOM 74 C VAL A 6 5.068 0.840 4.012 1.00 0.00 C ATOM 75 O VAL A 6 4.320 0.686 4.976 1.00 0.00 O ATOM 76 CB VAL A 6 5.745 3.177 3.564 1.00 0.00 C ATOM 77 CG1 VAL A 6 5.036 3.035 2.224 1.00 0.00 C ATOM 78 CG2 VAL A 6 4.832 3.822 4.596 1.00 0.00 C ATOM 0 H VAL A 6 7.030 0.784 2.416 1.00 0.00 H new ATOM 0 HA VAL A 6 6.599 1.891 5.077 1.00 0.00 H new ATOM 0 HB VAL A 6 6.611 3.825 3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.699 4.015 1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.724 2.614 1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.176 2.374 2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.501 4.795 4.232 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.965 3.184 4.764 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.375 3.950 5.532 1.00 0.00 H new ATOM 88 N LEU A 7 4.945 0.169 2.904 1.00 0.00 N ATOM 89 CA LEU A 7 3.809 -0.652 2.662 1.00 0.00 C ATOM 90 C LEU A 7 4.302 -2.071 2.569 1.00 0.00 C ATOM 91 O LEU A 7 5.488 -2.290 2.380 1.00 0.00 O ATOM 92 CB LEU A 7 3.147 -0.171 1.367 1.00 0.00 C ATOM 93 CG LEU A 7 1.624 -0.301 1.310 1.00 0.00 C ATOM 94 CD1 LEU A 7 1.071 0.377 0.077 1.00 0.00 C ATOM 95 CD2 LEU A 7 1.179 -1.744 1.339 1.00 0.00 C ATOM 0 H LEU A 7 5.630 0.179 2.149 1.00 0.00 H new ATOM 0 HA LEU A 7 3.063 -0.597 3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.409 0.876 1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.572 -0.731 0.534 1.00 0.00 H new ATOM 0 HG LEU A 7 1.231 0.193 2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.014 0.271 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.332 1.435 0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.496 -0.086 -0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.091 -1.790 1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.598 -2.271 0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.527 -2.214 2.259 1.00 0.00 H new ATOM 107 N LYS A 8 3.443 -3.024 2.802 1.00 0.00 N ATOM 108 CA LYS A 8 3.799 -4.397 2.661 1.00 0.00 C ATOM 109 C LYS A 8 2.561 -5.212 2.415 1.00 0.00 C ATOM 110 O LYS A 8 1.451 -4.802 2.753 1.00 0.00 O ATOM 111 CB LYS A 8 4.532 -4.882 3.908 1.00 0.00 C ATOM 112 CG LYS A 8 3.856 -4.509 5.211 1.00 0.00 C ATOM 113 CD LYS A 8 4.832 -3.824 6.163 1.00 0.00 C ATOM 114 CE LYS A 8 4.991 -2.348 5.857 1.00 0.00 C ATOM 115 NZ LYS A 8 5.845 -1.669 6.869 1.00 0.00 N ATOM 0 H LYS A 8 2.479 -2.865 3.094 1.00 0.00 H new ATOM 0 HA LYS A 8 4.470 -4.513 1.810 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.629 -5.967 3.860 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.542 -4.471 3.905 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.014 -3.846 5.010 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.451 -5.404 5.683 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.482 -3.945 7.188 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.804 -4.313 6.098 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.431 -2.226 4.867 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.010 -1.873 5.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.477 -0.713 7.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.836 -2.216 7.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.820 -1.603 6.512 1.00 0.00 H new ATOM 129 N PHE A 9 2.762 -6.351 1.821 1.00 0.00 N ATOM 130 CA PHE A 9 1.680 -7.282 1.583 1.00 0.00 C ATOM 131 C PHE A 9 2.072 -8.591 2.221 1.00 0.00 C ATOM 132 O PHE A 9 2.838 -9.375 1.666 1.00 0.00 O ATOM 133 CB PHE A 9 1.299 -7.433 0.080 1.00 0.00 C ATOM 134 CG PHE A 9 2.444 -7.668 -0.866 1.00 0.00 C ATOM 135 CD1 PHE A 9 3.595 -6.913 -0.792 1.00 0.00 C ATOM 136 CD2 PHE A 9 2.349 -8.633 -1.850 1.00 0.00 C ATOM 137 CE1 PHE A 9 4.626 -7.108 -1.662 1.00 0.00 C ATOM 138 CE2 PHE A 9 3.384 -8.841 -2.734 1.00 0.00 C ATOM 139 CZ PHE A 9 4.524 -8.076 -2.640 1.00 0.00 C ATOM 0 H PHE A 9 3.672 -6.667 1.486 1.00 0.00 H new ATOM 0 HA PHE A 9 0.766 -6.897 2.035 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.598 -8.262 -0.016 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.772 -6.532 -0.234 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.682 -6.152 -0.030 1.00 0.00 H new ATOM 0 HD2 PHE A 9 1.453 -9.231 -1.927 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.520 -6.507 -1.586 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.302 -9.601 -3.497 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.339 -8.233 -3.331 1.00 0.00 H new ATOM 149 N PRO A 10 1.638 -8.736 3.474 1.00 0.00 N ATOM 150 CA PRO A 10 1.795 -9.926 4.300 1.00 0.00 C ATOM 151 C PRO A 10 1.937 -11.229 3.520 1.00 0.00 C ATOM 152 O PRO A 10 0.942 -11.881 3.210 1.00 0.00 O ATOM 153 CB PRO A 10 0.452 -9.907 5.007 1.00 0.00 C ATOM 154 CG PRO A 10 0.165 -8.460 5.254 1.00 0.00 C ATOM 155 CD PRO A 10 0.936 -7.686 4.225 1.00 0.00 C ATOM 0 HA PRO A 10 2.696 -9.901 4.913 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.324 -10.364 4.393 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.490 -10.467 5.941 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.903 -8.257 5.171 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.467 -8.172 6.261 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.277 -7.103 3.582 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.633 -6.986 4.686 1.00 0.00 H new ATOM 163 N LEU A 11 3.178 -11.656 3.296 1.00 0.00 N ATOM 164 CA LEU A 11 3.449 -12.826 2.459 1.00 0.00 C ATOM 165 C LEU A 11 2.995 -14.103 3.147 1.00 0.00 C ATOM 166 O LEU A 11 2.956 -15.180 2.553 1.00 0.00 O ATOM 167 CB LEU A 11 4.942 -12.894 2.102 1.00 0.00 C ATOM 168 CG LEU A 11 5.943 -12.764 3.260 1.00 0.00 C ATOM 169 CD1 LEU A 11 5.867 -13.966 4.157 1.00 0.00 C ATOM 170 CD2 LEU A 11 7.353 -12.616 2.733 1.00 0.00 C ATOM 0 H LEU A 11 4.011 -11.211 3.681 1.00 0.00 H new ATOM 0 HA LEU A 11 2.880 -12.727 1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.127 -13.843 1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.154 -12.105 1.381 1.00 0.00 H new ATOM 0 HG LEU A 11 5.683 -11.873 3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.583 -13.858 4.972 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.861 -14.051 4.567 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.103 -14.863 3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.046 -12.525 3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.613 -13.492 2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.417 -11.724 2.110 1.00 0.00 H new ATOM 182 N SER A 12 2.648 -13.947 4.402 1.00 0.00 N ATOM 183 CA SER A 12 2.265 -15.047 5.253 1.00 0.00 C ATOM 184 C SER A 12 0.740 -15.187 5.329 1.00 0.00 C ATOM 185 O SER A 12 0.226 -16.189 5.835 1.00 0.00 O ATOM 186 CB SER A 12 2.848 -14.779 6.642 1.00 0.00 C ATOM 187 OG SER A 12 2.565 -15.825 7.553 1.00 0.00 O ATOM 0 H SER A 12 2.624 -13.039 4.867 1.00 0.00 H new ATOM 0 HA SER A 12 2.650 -15.983 4.847 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.928 -14.651 6.562 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.444 -13.843 7.029 1.00 0.00 H new ATOM 0 HG SER A 12 2.957 -15.613 8.426 1.00 0.00 H new ATOM 193 N VAL A 13 0.012 -14.208 4.791 1.00 0.00 N ATOM 194 CA VAL A 13 -1.438 -14.190 4.933 1.00 0.00 C ATOM 195 C VAL A 13 -2.093 -14.054 3.579 1.00 0.00 C ATOM 196 O VAL A 13 -1.440 -14.132 2.536 1.00 0.00 O ATOM 197 CB VAL A 13 -1.927 -13.038 5.862 1.00 0.00 C ATOM 198 CG1 VAL A 13 -0.980 -12.833 7.023 1.00 0.00 C ATOM 199 CG2 VAL A 13 -2.128 -11.730 5.103 1.00 0.00 C ATOM 0 H VAL A 13 0.399 -13.428 4.260 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.725 -15.135 5.394 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.898 -13.343 6.253 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.347 -12.023 7.653 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.919 -13.750 7.609 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.010 -12.578 6.644 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.469 -10.958 5.793 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.185 -11.423 4.652 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.874 -11.874 4.322 1.00 0.00 H new ATOM 209 N ASP A 14 -3.388 -13.867 3.611 1.00 0.00 N ATOM 210 CA ASP A 14 -4.159 -13.615 2.418 1.00 0.00 C ATOM 211 C ASP A 14 -4.085 -12.129 2.081 1.00 0.00 C ATOM 212 O ASP A 14 -5.067 -11.390 2.171 1.00 0.00 O ATOM 213 CB ASP A 14 -5.599 -14.063 2.622 1.00 0.00 C ATOM 214 CG ASP A 14 -6.388 -14.072 1.328 1.00 0.00 C ATOM 215 OD1 ASP A 14 -6.221 -15.022 0.532 1.00 0.00 O ATOM 216 OD2 ASP A 14 -7.171 -13.131 1.100 1.00 0.00 O ATOM 0 H ASP A 14 -3.940 -13.885 4.468 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.749 -14.184 1.584 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.608 -15.062 3.057 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.086 -13.400 3.337 1.00 0.00 H new ATOM 221 N LEU A 15 -2.880 -11.702 1.722 1.00 0.00 N ATOM 222 CA LEU A 15 -2.589 -10.319 1.360 1.00 0.00 C ATOM 223 C LEU A 15 -3.372 -9.846 0.157 1.00 0.00 C ATOM 224 O LEU A 15 -3.250 -8.702 -0.227 1.00 0.00 O ATOM 225 CB LEU A 15 -1.108 -10.181 1.080 1.00 0.00 C ATOM 226 CG LEU A 15 -0.499 -11.338 0.300 1.00 0.00 C ATOM 227 CD1 LEU A 15 -0.901 -11.292 -1.154 1.00 0.00 C ATOM 228 CD2 LEU A 15 0.987 -11.306 0.404 1.00 0.00 C ATOM 0 H LEU A 15 -2.066 -12.315 1.673 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.889 -9.694 2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.941 -9.258 0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.580 -10.082 2.028 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.876 -12.264 0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.450 -12.131 -1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.986 -11.354 -1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.558 -10.357 -1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.409 -12.139 -0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.360 -10.367 -0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.280 -11.389 1.450 1.00 0.00 H new ATOM 240 N ALA A 16 -4.169 -10.714 -0.437 1.00 0.00 N ATOM 241 CA ALA A 16 -5.025 -10.324 -1.545 1.00 0.00 C ATOM 242 C ALA A 16 -5.915 -9.157 -1.138 1.00 0.00 C ATOM 243 O ALA A 16 -6.449 -8.438 -1.983 1.00 0.00 O ATOM 244 CB ALA A 16 -5.856 -11.510 -1.979 1.00 0.00 C ATOM 0 H ALA A 16 -4.243 -11.696 -0.171 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.409 -10.000 -2.384 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.499 -11.219 -2.810 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.198 -12.319 -2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.471 -11.848 -1.145 1.00 0.00 H new ATOM 250 N GLY A 17 -6.040 -8.954 0.168 1.00 0.00 N ATOM 251 CA GLY A 17 -6.759 -7.816 0.668 1.00 0.00 C ATOM 252 C GLY A 17 -6.010 -6.518 0.432 1.00 0.00 C ATOM 253 O GLY A 17 -6.567 -5.575 -0.125 1.00 0.00 O ATOM 0 H GLY A 17 -5.651 -9.565 0.886 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.735 -7.764 0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.938 -7.942 1.736 1.00 0.00 H new ATOM 257 N PHE A 18 -4.743 -6.450 0.822 1.00 0.00 N ATOM 258 CA PHE A 18 -4.005 -5.209 0.652 1.00 0.00 C ATOM 259 C PHE A 18 -3.218 -5.191 -0.642 1.00 0.00 C ATOM 260 O PHE A 18 -3.173 -4.169 -1.319 1.00 0.00 O ATOM 261 CB PHE A 18 -3.053 -4.930 1.794 1.00 0.00 C ATOM 262 CG PHE A 18 -2.801 -3.450 1.972 1.00 0.00 C ATOM 263 CD1 PHE A 18 -3.350 -2.516 1.086 1.00 0.00 C ATOM 264 CD2 PHE A 18 -2.019 -2.985 3.016 1.00 0.00 C ATOM 265 CE1 PHE A 18 -3.119 -1.170 1.244 1.00 0.00 C ATOM 266 CE2 PHE A 18 -1.787 -1.629 3.175 1.00 0.00 C ATOM 267 CZ PHE A 18 -2.337 -0.723 2.284 1.00 0.00 C ATOM 0 H PHE A 18 -4.219 -7.216 1.246 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.766 -4.429 0.631 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.463 -5.342 2.716 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.107 -5.439 1.610 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.964 -2.858 0.266 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.586 -3.687 3.713 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.552 -0.463 0.551 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.177 -1.278 3.994 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.152 0.334 2.405 1.00 0.00 H new ATOM 277 N VAL A 19 -2.591 -6.294 -1.003 1.00 0.00 N ATOM 278 CA VAL A 19 -1.844 -6.311 -2.239 1.00 0.00 C ATOM 279 C VAL A 19 -2.812 -6.066 -3.364 1.00 0.00 C ATOM 280 O VAL A 19 -2.492 -5.422 -4.347 1.00 0.00 O ATOM 281 CB VAL A 19 -1.092 -7.628 -2.519 1.00 0.00 C ATOM 282 CG1 VAL A 19 -2.010 -8.715 -3.068 1.00 0.00 C ATOM 283 CG2 VAL A 19 0.045 -7.367 -3.495 1.00 0.00 C ATOM 0 H VAL A 19 -2.584 -7.166 -0.473 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.079 -5.539 -2.155 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.696 -7.990 -1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.433 -9.622 -3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.798 -8.925 -2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.456 -8.377 -4.003 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.576 -8.298 -3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.359 -6.975 -4.428 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.734 -6.640 -3.065 1.00 0.00 H new ATOM 293 N GLY A 20 -4.015 -6.577 -3.159 1.00 0.00 N ATOM 294 CA GLY A 20 -5.094 -6.375 -4.097 1.00 0.00 C ATOM 295 C GLY A 20 -5.550 -4.965 -4.033 1.00 0.00 C ATOM 296 O GLY A 20 -5.879 -4.381 -5.042 1.00 0.00 O ATOM 0 H GLY A 20 -4.264 -7.138 -2.344 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.761 -6.615 -5.107 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.921 -7.046 -3.866 1.00 0.00 H new ATOM 300 N LEU A 21 -5.457 -4.398 -2.851 1.00 0.00 N ATOM 301 CA LEU A 21 -5.942 -3.058 -2.601 1.00 0.00 C ATOM 302 C LEU A 21 -5.220 -2.055 -3.499 1.00 0.00 C ATOM 303 O LEU A 21 -5.854 -1.338 -4.270 1.00 0.00 O ATOM 304 CB LEU A 21 -5.768 -2.753 -1.107 1.00 0.00 C ATOM 305 CG LEU A 21 -5.937 -1.305 -0.622 1.00 0.00 C ATOM 306 CD1 LEU A 21 -6.750 -0.476 -1.563 1.00 0.00 C ATOM 307 CD2 LEU A 21 -6.547 -1.276 0.764 1.00 0.00 C ATOM 0 H LEU A 21 -5.044 -4.852 -2.036 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.001 -2.977 -2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.481 -3.370 -0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.771 -3.084 -0.817 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.940 -0.866 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.838 0.538 -1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.262 -0.448 -2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.743 -0.912 -1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.659 -0.242 1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.525 -1.757 0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.897 -1.808 1.459 1.00 0.00 H new ATOM 319 N LEU A 22 -3.907 -2.012 -3.449 1.00 0.00 N ATOM 320 CA LEU A 22 -3.211 -1.000 -4.211 1.00 0.00 C ATOM 321 C LEU A 22 -2.992 -1.436 -5.638 1.00 0.00 C ATOM 322 O LEU A 22 -2.806 -0.618 -6.545 1.00 0.00 O ATOM 323 CB LEU A 22 -1.915 -0.559 -3.571 1.00 0.00 C ATOM 324 CG LEU A 22 -0.958 -1.598 -2.961 1.00 0.00 C ATOM 325 CD1 LEU A 22 -1.268 -1.833 -1.497 1.00 0.00 C ATOM 326 CD2 LEU A 22 -0.963 -2.917 -3.699 1.00 0.00 C ATOM 0 H LEU A 22 -3.316 -2.643 -2.908 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.864 -0.127 -4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.354 -0.007 -4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.169 0.148 -2.782 1.00 0.00 H new ATOM 0 HG LEU A 22 0.041 -1.174 -3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.576 -2.572 -1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.162 -0.897 -0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.290 -2.199 -1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.268 -3.605 -3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.967 -3.342 -3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.658 -2.756 -4.733 1.00 0.00 H new ATOM 338 N ARG A 23 -2.982 -2.732 -5.814 1.00 0.00 N ATOM 339 CA ARG A 23 -3.039 -3.334 -7.124 1.00 0.00 C ATOM 340 C ARG A 23 -4.267 -2.809 -7.839 1.00 0.00 C ATOM 341 O ARG A 23 -4.280 -2.637 -9.056 1.00 0.00 O ATOM 342 CB ARG A 23 -3.120 -4.837 -6.935 1.00 0.00 C ATOM 343 CG ARG A 23 -3.393 -5.669 -8.180 1.00 0.00 C ATOM 344 CD ARG A 23 -4.839 -6.120 -8.241 1.00 0.00 C ATOM 345 NE ARG A 23 -5.686 -5.199 -9.006 1.00 0.00 N ATOM 346 CZ ARG A 23 -7.004 -5.344 -9.165 1.00 0.00 C ATOM 347 NH1 ARG A 23 -7.631 -6.397 -8.659 1.00 0.00 N ATOM 348 NH2 ARG A 23 -7.693 -4.443 -9.855 1.00 0.00 N ATOM 0 H ARG A 23 -2.934 -3.405 -5.049 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.160 -3.092 -7.722 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.181 -5.176 -6.498 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.904 -5.047 -6.207 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.155 -5.084 -9.069 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.738 -6.541 -8.187 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.888 -7.111 -8.691 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.230 -6.211 -7.228 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.239 -4.395 -9.446 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.106 -7.104 -8.144 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.638 -6.500 -8.785 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -7.216 -3.640 -10.264 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -8.700 -4.554 -9.976 1.00 0.00 H new ATOM 362 N ARG A 24 -5.291 -2.520 -7.045 1.00 0.00 N ATOM 363 CA ARG A 24 -6.541 -2.009 -7.559 1.00 0.00 C ATOM 364 C ARG A 24 -6.397 -0.555 -7.953 1.00 0.00 C ATOM 365 O ARG A 24 -7.085 -0.078 -8.856 1.00 0.00 O ATOM 366 CB ARG A 24 -7.613 -2.120 -6.501 1.00 0.00 C ATOM 367 CG ARG A 24 -8.147 -3.525 -6.280 1.00 0.00 C ATOM 368 CD ARG A 24 -9.075 -3.526 -5.087 1.00 0.00 C ATOM 369 NE ARG A 24 -9.793 -4.785 -4.920 1.00 0.00 N ATOM 370 CZ ARG A 24 -11.073 -4.858 -4.556 1.00 0.00 C ATOM 371 NH1 ARG A 24 -11.797 -3.750 -4.429 1.00 0.00 N ATOM 372 NH2 ARG A 24 -11.630 -6.040 -4.346 1.00 0.00 N ATOM 0 H ARG A 24 -5.272 -2.635 -6.032 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.817 -2.596 -8.435 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.214 -1.746 -5.558 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.444 -1.470 -6.776 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.678 -3.868 -7.168 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.322 -4.218 -6.114 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.498 -3.322 -4.185 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.796 -2.715 -5.194 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.289 -5.655 -5.091 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.373 -2.840 -4.610 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.776 -3.810 -4.150 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.080 -6.891 -4.463 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.609 -6.100 -4.067 1.00 0.00 H new ATOM 386 N LEU A 25 -5.491 0.148 -7.283 1.00 0.00 N ATOM 387 CA LEU A 25 -5.374 1.576 -7.471 1.00 0.00 C ATOM 388 C LEU A 25 -4.578 1.892 -8.732 1.00 0.00 C ATOM 389 O LEU A 25 -4.929 2.815 -9.469 1.00 0.00 O ATOM 390 CB LEU A 25 -4.753 2.202 -6.221 1.00 0.00 C ATOM 391 CG LEU A 25 -4.344 3.667 -6.338 1.00 0.00 C ATOM 392 CD1 LEU A 25 -4.781 4.450 -5.107 1.00 0.00 C ATOM 393 CD2 LEU A 25 -2.842 3.750 -6.511 1.00 0.00 C ATOM 0 H LEU A 25 -4.835 -0.250 -6.611 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.364 2.010 -7.611 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.465 2.109 -5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.873 1.621 -5.947 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.836 4.107 -7.205 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.479 5.492 -5.212 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.865 4.395 -5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.312 4.024 -4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.543 4.795 -6.595 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.351 3.300 -5.648 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.550 3.215 -7.414 1.00 0.00 H new ATOM 405 N ASN A 26 -3.548 1.084 -9.006 1.00 0.00 N ATOM 406 CA ASN A 26 -2.687 1.283 -10.170 1.00 0.00 C ATOM 407 C ASN A 26 -1.482 0.336 -10.155 1.00 0.00 C ATOM 408 O ASN A 26 -0.798 0.211 -11.169 1.00 0.00 O ATOM 409 CB ASN A 26 -2.191 2.739 -10.255 1.00 0.00 C ATOM 410 CG ASN A 26 -1.464 3.047 -11.557 1.00 0.00 C ATOM 411 OD1 ASN A 26 -1.752 2.456 -12.600 1.00 0.00 O ATOM 412 ND2 ASN A 26 -0.531 3.984 -11.511 1.00 0.00 N ATOM 0 H ASN A 26 -3.292 0.281 -8.431 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.294 1.060 -11.048 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.042 3.413 -10.152 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.523 2.939 -9.417 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.022 4.239 -12.357 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.320 4.451 -10.629 1.00 0.00 H new ATOM 419 N VAL A 27 -1.265 -0.369 -9.033 1.00 0.00 N ATOM 420 CA VAL A 27 -0.072 -1.225 -8.834 1.00 0.00 C ATOM 421 C VAL A 27 1.180 -0.659 -9.543 1.00 0.00 C ATOM 422 O VAL A 27 1.752 -1.259 -10.459 1.00 0.00 O ATOM 423 CB VAL A 27 -0.361 -2.704 -9.248 1.00 0.00 C ATOM 424 CG1 VAL A 27 -0.750 -2.827 -10.715 1.00 0.00 C ATOM 425 CG2 VAL A 27 0.817 -3.614 -8.932 1.00 0.00 C ATOM 0 H VAL A 27 -1.905 -0.366 -8.239 1.00 0.00 H new ATOM 0 HA VAL A 27 0.152 -1.222 -7.767 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.214 -3.029 -8.653 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.941 -3.873 -10.954 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.650 -2.242 -10.903 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.062 -2.454 -11.339 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.580 -4.634 -9.234 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.698 -3.271 -9.475 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.018 -3.590 -7.861 1.00 0.00 H new ATOM 435 N PRO A 28 1.592 0.544 -9.109 1.00 0.00 N ATOM 436 CA PRO A 28 2.738 1.276 -9.654 1.00 0.00 C ATOM 437 C PRO A 28 3.949 1.300 -8.719 1.00 0.00 C ATOM 438 O PRO A 28 4.684 2.284 -8.673 1.00 0.00 O ATOM 439 CB PRO A 28 2.139 2.667 -9.689 1.00 0.00 C ATOM 440 CG PRO A 28 1.424 2.748 -8.376 1.00 0.00 C ATOM 441 CD PRO A 28 0.906 1.360 -8.094 1.00 0.00 C ATOM 0 HA PRO A 28 3.113 0.854 -10.586 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.906 3.436 -9.781 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.457 2.794 -10.530 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.097 3.080 -7.586 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.606 3.467 -8.422 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.149 1.035 -7.082 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.178 1.304 -8.195 1.00 0.00 H new ATOM 449 N HIS A 29 4.166 0.227 -7.990 1.00 0.00 N ATOM 450 CA HIS A 29 5.057 0.277 -6.836 1.00 0.00 C ATOM 451 C HIS A 29 6.230 -0.680 -6.941 1.00 0.00 C ATOM 452 O HIS A 29 6.402 -1.385 -7.933 1.00 0.00 O ATOM 453 CB HIS A 29 4.273 -0.055 -5.572 1.00 0.00 C ATOM 454 CG HIS A 29 3.456 -1.310 -5.698 1.00 0.00 C ATOM 455 ND1 HIS A 29 2.081 -1.312 -5.771 1.00 0.00 N ATOM 456 CD2 HIS A 29 3.834 -2.612 -5.777 1.00 0.00 C ATOM 457 CE1 HIS A 29 1.653 -2.557 -5.888 1.00 0.00 C ATOM 458 NE2 HIS A 29 2.695 -3.365 -5.897 1.00 0.00 N ATOM 0 H HIS A 29 3.746 -0.685 -8.168 1.00 0.00 H new ATOM 0 HA HIS A 29 5.461 1.289 -6.801 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.967 -0.163 -4.739 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.613 0.778 -5.331 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.847 -2.986 -5.750 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.620 -2.862 -5.964 1.00 0.00 H new ATOM 0 HE2 HIS A 29 2.659 -4.381 -5.980 1.00 0.00 H new ATOM 467 N ARG A 30 7.025 -0.679 -5.886 1.00 0.00 N ATOM 468 CA ARG A 30 8.123 -1.615 -5.728 1.00 0.00 C ATOM 469 C ARG A 30 7.749 -2.715 -4.742 1.00 0.00 C ATOM 470 O ARG A 30 7.096 -2.456 -3.734 1.00 0.00 O ATOM 471 CB ARG A 30 9.368 -0.872 -5.241 1.00 0.00 C ATOM 472 CG ARG A 30 10.474 -1.795 -4.768 1.00 0.00 C ATOM 473 CD ARG A 30 11.614 -1.034 -4.114 1.00 0.00 C ATOM 474 NE ARG A 30 12.699 -1.930 -3.721 1.00 0.00 N ATOM 475 CZ ARG A 30 13.989 -1.620 -3.804 1.00 0.00 C ATOM 476 NH1 ARG A 30 14.362 -0.400 -4.174 1.00 0.00 N ATOM 477 NH2 ARG A 30 14.908 -2.526 -3.503 1.00 0.00 N ATOM 0 H ARG A 30 6.926 -0.024 -5.110 1.00 0.00 H new ATOM 0 HA ARG A 30 8.335 -2.076 -6.693 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.748 -0.246 -6.049 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.088 -0.205 -4.426 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.066 -2.515 -4.059 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.858 -2.364 -5.615 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.994 -0.281 -4.805 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.243 -0.503 -3.237 1.00 0.00 H new ATOM 0 HE ARG A 30 12.451 -2.851 -3.360 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.657 0.303 -4.396 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.353 -0.167 -4.236 1.00 0.00 H new ATOM 0 HH21 ARG A 30 14.625 -3.461 -3.208 1.00 0.00 H new ATOM 0 HH22 ARG A 30 15.898 -2.289 -3.566 1.00 0.00 H new ATOM 491 N VAL A 31 8.145 -3.934 -5.068 1.00 0.00 N ATOM 492 CA VAL A 31 7.954 -5.086 -4.204 1.00 0.00 C ATOM 493 C VAL A 31 9.303 -5.671 -3.793 1.00 0.00 C ATOM 494 O VAL A 31 10.170 -5.925 -4.629 1.00 0.00 O ATOM 495 CB VAL A 31 7.112 -6.177 -4.896 1.00 0.00 C ATOM 496 CG1 VAL A 31 7.181 -7.498 -4.127 1.00 0.00 C ATOM 497 CG2 VAL A 31 5.668 -5.710 -5.052 1.00 0.00 C ATOM 0 H VAL A 31 8.612 -4.153 -5.948 1.00 0.00 H new ATOM 0 HA VAL A 31 7.417 -4.746 -3.318 1.00 0.00 H new ATOM 0 HB VAL A 31 7.527 -6.353 -5.888 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.578 -8.248 -4.638 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.216 -7.836 -4.077 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.798 -7.351 -3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.084 -6.489 -5.542 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.244 -5.503 -4.069 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.642 -4.803 -5.656 1.00 0.00 H new ATOM 507 N SER A 32 9.458 -5.862 -2.503 1.00 0.00 N ATOM 508 CA SER A 32 10.665 -6.429 -1.912 1.00 0.00 C ATOM 509 C SER A 32 10.240 -7.297 -0.736 1.00 0.00 C ATOM 510 O SER A 32 9.082 -7.681 -0.669 1.00 0.00 O ATOM 511 CB SER A 32 11.613 -5.313 -1.460 1.00 0.00 C ATOM 512 OG SER A 32 11.921 -4.437 -2.536 1.00 0.00 O ATOM 0 H SER A 32 8.741 -5.626 -1.817 1.00 0.00 H new ATOM 0 HA SER A 32 11.204 -7.032 -2.643 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.155 -4.749 -0.648 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.532 -5.749 -1.067 1.00 0.00 H new ATOM 0 HG SER A 32 12.888 -4.440 -2.693 1.00 0.00 H new ATOM 518 N GLU A 33 11.156 -7.651 0.155 1.00 0.00 N ATOM 519 CA GLU A 33 10.789 -8.404 1.354 1.00 0.00 C ATOM 520 C GLU A 33 11.455 -7.818 2.597 1.00 0.00 C ATOM 521 O GLU A 33 12.682 -7.754 2.687 1.00 0.00 O ATOM 522 CB GLU A 33 11.157 -9.880 1.195 1.00 0.00 C ATOM 523 CG GLU A 33 10.454 -10.549 0.028 1.00 0.00 C ATOM 524 CD GLU A 33 10.784 -12.018 -0.090 1.00 0.00 C ATOM 525 OE1 GLU A 33 11.924 -12.342 -0.473 1.00 0.00 O ATOM 526 OE2 GLU A 33 9.900 -12.858 0.178 1.00 0.00 O ATOM 0 H GLU A 33 12.149 -7.433 0.075 1.00 0.00 H new ATOM 0 HA GLU A 33 9.709 -8.327 1.482 1.00 0.00 H new ATOM 0 HB2 GLU A 33 12.235 -9.966 1.059 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.908 -10.411 2.114 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.376 -10.432 0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.733 -10.043 -0.896 1.00 0.00 H new ATOM 533 N GLU A 34 10.629 -7.376 3.543 1.00 0.00 N ATOM 534 CA GLU A 34 11.112 -6.788 4.788 1.00 0.00 C ATOM 535 C GLU A 34 10.515 -7.479 6.012 1.00 0.00 C ATOM 536 O GLU A 34 9.294 -7.538 6.170 1.00 0.00 O ATOM 537 CB GLU A 34 10.784 -5.292 4.849 1.00 0.00 C ATOM 538 CG GLU A 34 11.750 -4.417 4.071 1.00 0.00 C ATOM 539 CD GLU A 34 13.154 -4.468 4.632 1.00 0.00 C ATOM 540 OE1 GLU A 34 13.369 -3.950 5.750 1.00 0.00 O ATOM 541 OE2 GLU A 34 14.048 -5.017 3.965 1.00 0.00 O ATOM 0 H GLU A 34 9.613 -7.415 3.468 1.00 0.00 H new ATOM 0 HA GLU A 34 12.193 -6.927 4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.777 -5.135 4.464 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.780 -4.973 5.891 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.766 -4.736 3.029 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.394 -3.387 4.084 1.00 0.00 H new ATOM 548 N SER A 35 11.394 -8.030 6.847 1.00 0.00 N ATOM 549 CA SER A 35 11.044 -8.499 8.191 1.00 0.00 C ATOM 550 C SER A 35 10.032 -9.651 8.199 1.00 0.00 C ATOM 551 O SER A 35 9.464 -9.975 9.245 1.00 0.00 O ATOM 552 CB SER A 35 10.518 -7.325 9.021 1.00 0.00 C ATOM 553 OG SER A 35 11.479 -6.281 9.082 1.00 0.00 O ATOM 0 H SER A 35 12.377 -8.166 6.610 1.00 0.00 H new ATOM 0 HA SER A 35 11.957 -8.899 8.632 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.593 -6.949 8.583 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.278 -7.664 10.029 1.00 0.00 H new ATOM 0 HG SER A 35 11.123 -5.540 9.615 1.00 0.00 H new ATOM 559 N GLY A 36 9.808 -10.268 7.049 1.00 0.00 N ATOM 560 CA GLY A 36 8.930 -11.413 6.989 1.00 0.00 C ATOM 561 C GLY A 36 7.676 -11.111 6.216 1.00 0.00 C ATOM 562 O GLY A 36 6.717 -11.877 6.239 1.00 0.00 O ATOM 0 H GLY A 36 10.220 -9.995 6.157 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.453 -12.249 6.523 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.668 -11.725 8.000 1.00 0.00 H new ATOM 566 N GLN A 37 7.682 -9.977 5.546 1.00 0.00 N ATOM 567 CA GLN A 37 6.594 -9.587 4.686 1.00 0.00 C ATOM 568 C GLN A 37 7.180 -9.183 3.359 1.00 0.00 C ATOM 569 O GLN A 37 8.257 -8.609 3.330 1.00 0.00 O ATOM 570 CB GLN A 37 5.841 -8.394 5.285 1.00 0.00 C ATOM 571 CG GLN A 37 5.464 -8.578 6.742 1.00 0.00 C ATOM 572 CD GLN A 37 4.258 -7.748 7.122 1.00 0.00 C ATOM 573 OE1 GLN A 37 4.386 -6.613 7.567 1.00 0.00 O ATOM 574 NE2 GLN A 37 3.078 -8.308 6.935 1.00 0.00 N ATOM 0 H GLN A 37 8.445 -9.301 5.585 1.00 0.00 H new ATOM 0 HA GLN A 37 5.896 -10.416 4.572 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.459 -7.501 5.189 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.935 -8.219 4.704 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.255 -9.631 6.933 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.309 -8.301 7.373 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.016 -9.255 6.562 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.227 -7.793 7.163 1.00 0.00 H new ATOM 583 N GLN A 38 6.523 -9.486 2.260 1.00 0.00 N ATOM 584 CA GLN A 38 6.925 -8.866 1.034 1.00 0.00 C ATOM 585 C GLN A 38 6.420 -7.459 1.152 1.00 0.00 C ATOM 586 O GLN A 38 5.297 -7.252 1.585 1.00 0.00 O ATOM 587 CB GLN A 38 6.331 -9.527 -0.202 1.00 0.00 C ATOM 588 CG GLN A 38 6.015 -10.994 -0.061 1.00 0.00 C ATOM 589 CD GLN A 38 4.800 -11.345 -0.883 1.00 0.00 C ATOM 590 OE1 GLN A 38 4.896 -11.927 -1.964 1.00 0.00 O ATOM 591 NE2 GLN A 38 3.657 -10.889 -0.406 1.00 0.00 N ATOM 0 H GLN A 38 5.738 -10.134 2.196 1.00 0.00 H new ATOM 0 HA GLN A 38 8.004 -8.942 0.902 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.416 -9.000 -0.471 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.027 -9.401 -1.031 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.868 -11.590 -0.386 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.837 -11.236 0.987 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.634 -10.414 0.496 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.796 -11.012 -0.940 1.00 0.00 H new ATOM 600 N VAL A 39 7.231 -6.501 0.833 1.00 0.00 N ATOM 601 CA VAL A 39 6.915 -5.151 1.171 1.00 0.00 C ATOM 602 C VAL A 39 6.965 -4.263 -0.038 1.00 0.00 C ATOM 603 O VAL A 39 7.707 -4.497 -0.980 1.00 0.00 O ATOM 604 CB VAL A 39 7.824 -4.660 2.299 1.00 0.00 C ATOM 605 CG1 VAL A 39 7.622 -5.566 3.465 1.00 0.00 C ATOM 606 CG2 VAL A 39 9.250 -4.635 1.875 1.00 0.00 C ATOM 0 H VAL A 39 8.115 -6.628 0.340 1.00 0.00 H new ATOM 0 HA VAL A 39 5.890 -5.111 1.539 1.00 0.00 H new ATOM 0 HB VAL A 39 7.567 -3.636 2.569 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.257 -5.244 4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.578 -5.532 3.776 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.883 -6.586 3.183 1.00 0.00 H new ATOM 0 HG21 VAL A 39 9.869 -4.281 2.700 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.563 -5.640 1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.364 -3.965 1.023 1.00 0.00 H new ATOM 616 N LEU A 40 6.149 -3.261 0.014 1.00 0.00 N ATOM 617 CA LEU A 40 5.850 -2.423 -1.102 1.00 0.00 C ATOM 618 C LEU A 40 6.301 -1.003 -0.799 1.00 0.00 C ATOM 619 O LEU A 40 6.044 -0.461 0.276 1.00 0.00 O ATOM 620 CB LEU A 40 4.354 -2.573 -1.335 1.00 0.00 C ATOM 621 CG LEU A 40 3.692 -1.744 -2.435 1.00 0.00 C ATOM 622 CD1 LEU A 40 2.241 -2.155 -2.549 1.00 0.00 C ATOM 623 CD2 LEU A 40 3.782 -0.253 -2.166 1.00 0.00 C ATOM 0 H LEU A 40 5.654 -2.994 0.865 1.00 0.00 H new ATOM 0 HA LEU A 40 6.377 -2.697 -2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.158 -3.623 -1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.849 -2.340 -0.397 1.00 0.00 H new ATOM 0 HG LEU A 40 4.222 -1.935 -3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.758 -1.570 -3.331 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.181 -3.214 -2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.737 -1.977 -1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.297 0.293 -2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.284 -0.022 -1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.829 0.043 -2.105 1.00 0.00 H new ATOM 635 N TRP A 41 7.006 -0.423 -1.748 1.00 0.00 N ATOM 636 CA TRP A 41 7.669 0.844 -1.536 1.00 0.00 C ATOM 637 C TRP A 41 7.276 1.787 -2.654 1.00 0.00 C ATOM 638 O TRP A 41 7.758 1.621 -3.776 1.00 0.00 O ATOM 639 CB TRP A 41 9.217 0.694 -1.578 1.00 0.00 C ATOM 640 CG TRP A 41 9.762 -0.568 -0.978 1.00 0.00 C ATOM 641 CD1 TRP A 41 9.206 -1.786 -1.086 1.00 0.00 C ATOM 642 CD2 TRP A 41 10.977 -0.759 -0.235 1.00 0.00 C ATOM 643 NE1 TRP A 41 9.924 -2.711 -0.424 1.00 0.00 N ATOM 644 CE2 TRP A 41 11.027 -2.120 0.108 1.00 0.00 C ATOM 645 CE3 TRP A 41 12.011 0.073 0.192 1.00 0.00 C ATOM 646 CZ2 TRP A 41 12.052 -2.671 0.852 1.00 0.00 C ATOM 647 CZ3 TRP A 41 13.045 -0.477 0.930 1.00 0.00 C ATOM 648 CH2 TRP A 41 13.056 -1.839 1.258 1.00 0.00 C ATOM 0 H TRP A 41 7.134 -0.814 -2.681 1.00 0.00 H new ATOM 0 HA TRP A 41 7.372 1.220 -0.557 1.00 0.00 H new ATOM 0 HB2 TRP A 41 9.542 0.751 -2.617 1.00 0.00 H new ATOM 0 HB3 TRP A 41 9.661 1.543 -1.058 1.00 0.00 H new ATOM 0 HD1 TRP A 41 8.299 -1.996 -1.634 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.680 -3.697 -0.335 1.00 0.00 H new ATOM 0 HE3 TRP A 41 12.005 1.126 -0.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 12.059 -3.721 1.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 13.857 0.155 1.259 1.00 0.00 H new ATOM 0 HH2 TRP A 41 13.872 -2.238 1.842 1.00 0.00 H new ATOM 659 N VAL A 42 6.369 2.720 -2.420 1.00 0.00 N ATOM 660 CA VAL A 42 6.184 3.756 -3.427 1.00 0.00 C ATOM 661 C VAL A 42 5.788 5.167 -2.895 1.00 0.00 C ATOM 662 O VAL A 42 5.070 5.898 -3.576 1.00 0.00 O ATOM 663 CB VAL A 42 5.192 3.258 -4.508 1.00 0.00 C ATOM 664 CG1 VAL A 42 3.750 3.279 -4.025 1.00 0.00 C ATOM 665 CG2 VAL A 42 5.351 4.030 -5.805 1.00 0.00 C ATOM 0 H VAL A 42 5.778 2.786 -1.591 1.00 0.00 H new ATOM 0 HA VAL A 42 7.172 3.920 -3.858 1.00 0.00 H new ATOM 0 HB VAL A 42 5.443 2.216 -4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.095 2.921 -4.819 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.649 2.633 -3.153 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.471 4.298 -3.756 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.640 3.655 -6.541 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.162 5.088 -5.624 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.366 3.902 -6.182 1.00 0.00 H new ATOM 675 N PRO A 43 6.225 5.611 -1.689 1.00 0.00 N ATOM 676 CA PRO A 43 6.012 6.974 -1.240 1.00 0.00 C ATOM 677 C PRO A 43 7.309 7.767 -1.001 1.00 0.00 C ATOM 678 O PRO A 43 8.285 7.641 -1.741 1.00 0.00 O ATOM 679 CB PRO A 43 5.384 6.649 0.081 1.00 0.00 C ATOM 680 CG PRO A 43 6.295 5.613 0.628 1.00 0.00 C ATOM 681 CD PRO A 43 6.806 4.855 -0.572 1.00 0.00 C ATOM 0 HA PRO A 43 5.459 7.595 -1.945 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.329 7.523 0.729 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.367 6.274 -0.035 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.115 6.066 1.185 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.769 4.951 1.316 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.895 4.843 -0.612 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.475 3.816 -0.568 1.00 0.00 H new ATOM 689 N ASP A 44 7.286 8.581 0.060 1.00 0.00 N ATOM 690 CA ASP A 44 8.470 9.282 0.553 1.00 0.00 C ATOM 691 C ASP A 44 8.446 9.318 2.073 1.00 0.00 C ATOM 692 O ASP A 44 9.019 8.467 2.744 1.00 0.00 O ATOM 693 CB ASP A 44 8.535 10.722 0.035 1.00 0.00 C ATOM 694 CG ASP A 44 9.617 10.930 -1.005 1.00 0.00 C ATOM 695 OD1 ASP A 44 10.807 11.017 -0.625 1.00 0.00 O ATOM 696 OD2 ASP A 44 9.285 11.041 -2.200 1.00 0.00 O ATOM 0 H ASP A 44 6.442 8.771 0.600 1.00 0.00 H new ATOM 0 HA ASP A 44 9.345 8.741 0.191 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.570 10.992 -0.394 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.711 11.396 0.873 1.00 0.00 H new ATOM 701 N GLU A 45 7.735 10.301 2.604 1.00 0.00 N ATOM 702 CA GLU A 45 7.621 10.495 4.043 1.00 0.00 C ATOM 703 C GLU A 45 6.186 10.836 4.386 1.00 0.00 C ATOM 704 O GLU A 45 5.431 10.000 4.875 1.00 0.00 O ATOM 705 CB GLU A 45 8.538 11.630 4.502 1.00 0.00 C ATOM 706 CG GLU A 45 9.997 11.408 4.160 1.00 0.00 C ATOM 707 CD GLU A 45 10.863 12.606 4.479 1.00 0.00 C ATOM 708 OE1 GLU A 45 11.303 12.737 5.638 1.00 0.00 O ATOM 709 OE2 GLU A 45 11.106 13.426 3.571 1.00 0.00 O ATOM 0 H GLU A 45 7.221 10.987 2.051 1.00 0.00 H new ATOM 0 HA GLU A 45 7.918 9.577 4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.204 12.562 4.046 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.441 11.750 5.581 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.366 10.542 4.709 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.085 11.174 3.099 1.00 0.00 H new ATOM 716 N ARG A 46 5.813 12.072 4.102 1.00 0.00 N ATOM 717 CA ARG A 46 4.418 12.484 4.221 1.00 0.00 C ATOM 718 C ARG A 46 3.562 11.674 3.263 1.00 0.00 C ATOM 719 O ARG A 46 2.404 11.375 3.536 1.00 0.00 O ATOM 720 CB ARG A 46 4.215 13.989 3.963 1.00 0.00 C ATOM 721 CG ARG A 46 4.583 14.478 2.566 1.00 0.00 C ATOM 722 CD ARG A 46 6.083 14.685 2.414 1.00 0.00 C ATOM 723 NE ARG A 46 6.652 15.448 3.527 1.00 0.00 N ATOM 724 CZ ARG A 46 7.937 15.415 3.879 1.00 0.00 C ATOM 725 NH1 ARG A 46 8.808 14.733 3.148 1.00 0.00 N ATOM 726 NH2 ARG A 46 8.357 16.088 4.942 1.00 0.00 N ATOM 0 H ARG A 46 6.449 12.806 3.789 1.00 0.00 H new ATOM 0 HA ARG A 46 4.113 12.295 5.250 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.169 14.232 4.149 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.806 14.546 4.690 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.240 13.755 1.826 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.065 15.415 2.361 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.577 13.716 2.350 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.283 15.207 1.478 1.00 0.00 H new ATOM 0 HE ARG A 46 6.024 16.043 4.068 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.495 14.233 2.316 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.791 14.708 3.418 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.696 16.634 5.494 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.341 16.060 5.207 1.00 0.00 H new ATOM 740 N LEU A 47 4.155 11.301 2.140 1.00 0.00 N ATOM 741 CA LEU A 47 3.466 10.498 1.153 1.00 0.00 C ATOM 742 C LEU A 47 3.304 9.068 1.656 1.00 0.00 C ATOM 743 O LEU A 47 2.289 8.451 1.423 1.00 0.00 O ATOM 744 CB LEU A 47 4.231 10.534 -0.177 1.00 0.00 C ATOM 745 CG LEU A 47 3.389 10.295 -1.434 1.00 0.00 C ATOM 746 CD1 LEU A 47 4.195 10.626 -2.680 1.00 0.00 C ATOM 747 CD2 LEU A 47 2.906 8.857 -1.494 1.00 0.00 C ATOM 0 H LEU A 47 5.114 11.544 1.893 1.00 0.00 H new ATOM 0 HA LEU A 47 2.471 10.910 0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.719 11.504 -0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.020 9.782 -0.142 1.00 0.00 H new ATOM 0 HG LEU A 47 2.519 10.950 -1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.584 10.451 -3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.499 11.672 -2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.081 9.992 -2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.310 8.711 -2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.764 8.185 -1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.296 8.641 -0.617 1.00 0.00 H new ATOM 759 N ALA A 48 4.310 8.558 2.352 1.00 0.00 N ATOM 760 CA ALA A 48 4.276 7.207 2.924 1.00 0.00 C ATOM 761 C ALA A 48 2.949 6.897 3.627 1.00 0.00 C ATOM 762 O ALA A 48 2.385 5.804 3.469 1.00 0.00 O ATOM 763 CB ALA A 48 5.446 7.046 3.881 1.00 0.00 C ATOM 0 H ALA A 48 5.176 9.064 2.540 1.00 0.00 H new ATOM 0 HA ALA A 48 4.361 6.490 2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.429 6.045 4.311 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.381 7.193 3.340 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.368 7.785 4.679 1.00 0.00 H new ATOM 769 N GLU A 49 2.415 7.882 4.335 1.00 0.00 N ATOM 770 CA GLU A 49 1.221 7.668 5.136 1.00 0.00 C ATOM 771 C GLU A 49 0.021 7.771 4.223 1.00 0.00 C ATOM 772 O GLU A 49 -0.946 7.023 4.330 1.00 0.00 O ATOM 773 CB GLU A 49 1.135 8.683 6.276 1.00 0.00 C ATOM 774 CG GLU A 49 0.751 10.065 5.819 1.00 0.00 C ATOM 775 CD GLU A 49 0.691 11.069 6.947 1.00 0.00 C ATOM 776 OE1 GLU A 49 -0.326 11.087 7.674 1.00 0.00 O ATOM 777 OE2 GLU A 49 1.654 11.848 7.115 1.00 0.00 O ATOM 0 H GLU A 49 2.788 8.831 4.371 1.00 0.00 H new ATOM 0 HA GLU A 49 1.253 6.680 5.596 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.406 8.335 7.008 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.099 8.731 6.783 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.470 10.407 5.074 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.221 10.021 5.328 1.00 0.00 H new ATOM 784 N GLN A 50 0.147 8.680 3.280 1.00 0.00 N ATOM 785 CA GLN A 50 -0.836 8.894 2.261 1.00 0.00 C ATOM 786 C GLN A 50 -0.988 7.630 1.416 1.00 0.00 C ATOM 787 O GLN A 50 -2.097 7.240 1.044 1.00 0.00 O ATOM 788 CB GLN A 50 -0.378 10.087 1.409 1.00 0.00 C ATOM 789 CG GLN A 50 -0.898 10.068 -0.005 1.00 0.00 C ATOM 790 CD GLN A 50 -2.354 10.462 -0.091 1.00 0.00 C ATOM 791 OE1 GLN A 50 -2.684 11.620 -0.333 1.00 0.00 O ATOM 792 NE2 GLN A 50 -3.235 9.517 0.163 1.00 0.00 N ATOM 0 H GLN A 50 0.955 9.299 3.206 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.810 9.114 2.697 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.701 11.010 1.891 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.712 10.105 1.384 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.304 10.748 -0.616 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.770 9.069 -0.423 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.921 8.567 0.359 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.231 9.735 0.163 1.00 0.00 H new ATOM 801 N VAL A 51 0.128 6.960 1.182 1.00 0.00 N ATOM 802 CA VAL A 51 0.182 5.889 0.217 1.00 0.00 C ATOM 803 C VAL A 51 -0.516 4.649 0.758 1.00 0.00 C ATOM 804 O VAL A 51 -1.523 4.242 0.230 1.00 0.00 O ATOM 805 CB VAL A 51 1.648 5.603 -0.262 1.00 0.00 C ATOM 806 CG1 VAL A 51 2.343 4.472 0.486 1.00 0.00 C ATOM 807 CG2 VAL A 51 1.670 5.343 -1.758 1.00 0.00 C ATOM 0 H VAL A 51 1.013 7.146 1.655 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.361 6.204 -0.674 1.00 0.00 H new ATOM 0 HB VAL A 51 2.219 6.502 -0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.351 4.341 0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.397 4.716 1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.779 3.548 0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.693 5.146 -2.078 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.046 4.479 -1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.287 6.217 -2.285 1.00 0.00 H new ATOM 817 N ARG A 52 -0.056 4.088 1.850 1.00 0.00 N ATOM 818 CA ARG A 52 -0.657 2.843 2.302 1.00 0.00 C ATOM 819 C ARG A 52 -1.946 3.127 3.059 1.00 0.00 C ATOM 820 O ARG A 52 -2.964 2.454 2.866 1.00 0.00 O ATOM 821 CB ARG A 52 0.321 2.057 3.177 1.00 0.00 C ATOM 822 CG ARG A 52 0.388 2.562 4.611 1.00 0.00 C ATOM 823 CD ARG A 52 1.524 1.951 5.390 1.00 0.00 C ATOM 824 NE ARG A 52 1.682 2.593 6.700 1.00 0.00 N ATOM 825 CZ ARG A 52 2.500 2.158 7.660 1.00 0.00 C ATOM 826 NH1 ARG A 52 3.178 1.030 7.511 1.00 0.00 N ATOM 827 NH2 ARG A 52 2.623 2.846 8.786 1.00 0.00 N ATOM 0 H ARG A 52 0.703 4.451 2.428 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.893 2.235 1.429 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.029 1.007 3.183 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.316 2.109 2.734 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.499 3.646 4.605 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.553 2.340 5.114 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.342 0.885 5.525 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.449 2.047 4.822 1.00 0.00 H new ATOM 0 HE ARG A 52 1.129 3.429 6.890 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.078 0.484 6.655 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.800 0.707 8.252 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.093 3.707 8.918 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.248 2.514 9.521 1.00 0.00 H new ATOM 841 N GLU A 53 -1.921 4.169 3.870 1.00 0.00 N ATOM 842 CA GLU A 53 -2.976 4.375 4.826 1.00 0.00 C ATOM 843 C GLU A 53 -4.157 5.048 4.190 1.00 0.00 C ATOM 844 O GLU A 53 -5.275 4.767 4.560 1.00 0.00 O ATOM 845 CB GLU A 53 -2.476 5.154 6.034 1.00 0.00 C ATOM 846 CG GLU A 53 -1.269 4.494 6.661 1.00 0.00 C ATOM 847 CD GLU A 53 -0.963 4.968 8.062 1.00 0.00 C ATOM 848 OE1 GLU A 53 -1.906 5.351 8.787 1.00 0.00 O ATOM 849 OE2 GLU A 53 0.220 4.903 8.461 1.00 0.00 O ATOM 0 H GLU A 53 -1.186 4.876 3.881 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.305 3.397 5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.220 6.170 5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.274 5.232 6.773 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.428 3.416 6.681 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.400 4.677 6.029 1.00 0.00 H new ATOM 856 N LEU A 54 -3.942 5.902 3.206 1.00 0.00 N ATOM 857 CA LEU A 54 -5.081 6.514 2.564 1.00 0.00 C ATOM 858 C LEU A 54 -5.520 5.704 1.376 1.00 0.00 C ATOM 859 O LEU A 54 -6.679 5.696 1.050 1.00 0.00 O ATOM 860 CB LEU A 54 -4.857 7.969 2.172 1.00 0.00 C ATOM 861 CG LEU A 54 -4.880 8.946 3.339 1.00 0.00 C ATOM 862 CD1 LEU A 54 -3.595 8.819 4.113 1.00 0.00 C ATOM 863 CD2 LEU A 54 -5.086 10.373 2.853 1.00 0.00 C ATOM 0 H LEU A 54 -3.027 6.177 2.848 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.877 6.523 3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.896 8.052 1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.624 8.261 1.454 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.718 8.704 3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.604 9.516 4.951 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.496 7.801 4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.753 9.048 3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.098 11.050 3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.273 10.650 2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.035 10.443 2.321 1.00 0.00 H new ATOM 875 N TYR A 55 -4.633 4.984 0.732 1.00 0.00 N ATOM 876 CA TYR A 55 -5.092 4.131 -0.358 1.00 0.00 C ATOM 877 C TYR A 55 -6.120 3.156 0.191 1.00 0.00 C ATOM 878 O TYR A 55 -7.081 2.793 -0.476 1.00 0.00 O ATOM 879 CB TYR A 55 -3.947 3.373 -1.014 1.00 0.00 C ATOM 880 CG TYR A 55 -3.106 4.211 -1.962 1.00 0.00 C ATOM 881 CD1 TYR A 55 -3.295 5.584 -2.066 1.00 0.00 C ATOM 882 CD2 TYR A 55 -2.098 3.632 -2.726 1.00 0.00 C ATOM 883 CE1 TYR A 55 -2.512 6.354 -2.902 1.00 0.00 C ATOM 884 CE2 TYR A 55 -1.313 4.397 -3.567 1.00 0.00 C ATOM 885 CZ TYR A 55 -1.525 5.757 -3.651 1.00 0.00 C ATOM 886 OH TYR A 55 -0.740 6.526 -4.482 1.00 0.00 O ATOM 0 H TYR A 55 -3.632 4.963 0.924 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.536 4.762 -1.128 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.301 2.968 -0.235 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.355 2.524 -1.563 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.070 6.058 -1.481 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.926 2.568 -2.661 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.674 7.420 -2.968 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.537 3.932 -4.156 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.090 5.953 -4.940 1.00 0.00 H new ATOM 896 N ARG A 56 -5.924 2.790 1.445 1.00 0.00 N ATOM 897 CA ARG A 56 -6.821 1.879 2.128 1.00 0.00 C ATOM 898 C ARG A 56 -8.080 2.582 2.684 1.00 0.00 C ATOM 899 O ARG A 56 -8.899 1.930 3.330 1.00 0.00 O ATOM 900 CB ARG A 56 -6.054 1.151 3.235 1.00 0.00 C ATOM 901 CG ARG A 56 -5.931 1.946 4.507 1.00 0.00 C ATOM 902 CD ARG A 56 -4.847 1.400 5.437 1.00 0.00 C ATOM 903 NE ARG A 56 -4.907 2.043 6.750 1.00 0.00 N ATOM 904 CZ ARG A 56 -3.922 2.034 7.641 1.00 0.00 C ATOM 905 NH1 ARG A 56 -2.806 1.357 7.399 1.00 0.00 N ATOM 906 NH2 ARG A 56 -4.065 2.684 8.790 1.00 0.00 N ATOM 0 H ARG A 56 -5.143 3.114 2.015 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.185 1.155 1.399 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.555 0.208 3.453 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.056 0.905 2.872 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.706 2.984 4.262 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.888 1.942 5.028 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.969 0.323 5.550 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.865 1.564 4.993 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.766 2.533 6.999 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.702 0.841 6.526 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.053 1.353 8.086 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.930 3.188 8.986 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.310 2.679 9.476 1.00 0.00 H new ATOM 920 N ARG A 57 -8.262 3.897 2.439 1.00 0.00 N ATOM 921 CA ARG A 57 -9.433 4.588 3.008 1.00 0.00 C ATOM 922 C ARG A 57 -9.920 5.819 2.217 1.00 0.00 C ATOM 923 O ARG A 57 -11.096 6.146 2.277 1.00 0.00 O ATOM 924 CB ARG A 57 -9.167 4.976 4.466 1.00 0.00 C ATOM 925 CG ARG A 57 -7.886 5.755 4.694 1.00 0.00 C ATOM 926 CD ARG A 57 -7.466 5.729 6.152 1.00 0.00 C ATOM 927 NE ARG A 57 -8.351 6.526 7.001 1.00 0.00 N ATOM 928 CZ ARG A 57 -9.159 6.012 7.929 1.00 0.00 C ATOM 929 NH1 ARG A 57 -9.172 4.708 8.158 1.00 0.00 N ATOM 930 NH2 ARG A 57 -9.944 6.805 8.644 1.00 0.00 N ATOM 0 H ARG A 57 -7.642 4.479 1.876 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.244 3.863 2.942 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.006 5.570 4.828 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.136 4.068 5.069 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.090 5.335 4.078 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.026 6.787 4.374 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.458 4.698 6.507 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.447 6.105 6.240 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.350 7.538 6.875 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.562 4.090 7.623 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.792 4.321 8.869 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.932 7.813 8.485 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.561 6.408 9.353 1.00 0.00 H new ATOM 944 N TYR A 58 -9.031 6.518 1.518 1.00 0.00 N ATOM 945 CA TYR A 58 -9.411 7.707 0.727 1.00 0.00 C ATOM 946 C TYR A 58 -9.257 7.515 -0.804 1.00 0.00 C ATOM 947 O TYR A 58 -10.254 7.454 -1.492 1.00 0.00 O ATOM 948 CB TYR A 58 -8.644 8.951 1.204 1.00 0.00 C ATOM 949 CG TYR A 58 -9.127 9.515 2.516 1.00 0.00 C ATOM 950 CD1 TYR A 58 -9.283 8.690 3.602 1.00 0.00 C ATOM 951 CD2 TYR A 58 -9.406 10.867 2.672 1.00 0.00 C ATOM 952 CE1 TYR A 58 -9.703 9.166 4.816 1.00 0.00 C ATOM 953 CE2 TYR A 58 -9.835 11.367 3.889 1.00 0.00 C ATOM 954 CZ TYR A 58 -9.981 10.510 4.960 1.00 0.00 C ATOM 955 OH TYR A 58 -10.399 10.996 6.180 1.00 0.00 O ATOM 0 H TYR A 58 -8.038 6.289 1.477 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.476 7.855 0.904 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.588 8.698 1.298 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.720 9.725 0.440 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.069 7.637 3.496 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.287 11.536 1.833 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.816 8.494 5.654 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.054 12.419 3.999 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.551 11.962 6.113 1.00 0.00 H new ATOM 965 N PRO A 59 -8.029 7.487 -1.387 1.00 0.00 N ATOM 966 CA PRO A 59 -7.835 7.218 -2.831 1.00 0.00 C ATOM 967 C PRO A 59 -8.576 5.995 -3.384 1.00 0.00 C ATOM 968 O PRO A 59 -8.959 5.982 -4.555 1.00 0.00 O ATOM 969 CB PRO A 59 -6.333 6.999 -2.925 1.00 0.00 C ATOM 970 CG PRO A 59 -5.783 7.903 -1.892 1.00 0.00 C ATOM 971 CD PRO A 59 -6.745 7.833 -0.752 1.00 0.00 C ATOM 0 HA PRO A 59 -8.238 8.038 -3.426 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -6.067 5.960 -2.731 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.953 7.246 -3.917 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.786 7.588 -1.585 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.693 8.922 -2.269 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.445 7.080 -0.023 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.805 8.784 -0.222 1.00 0.00 H new ATOM 979 N GLU A 60 -8.769 4.970 -2.570 1.00 0.00 N ATOM 980 CA GLU A 60 -9.465 3.774 -3.025 1.00 0.00 C ATOM 981 C GLU A 60 -10.690 3.589 -2.168 1.00 0.00 C ATOM 982 O GLU A 60 -11.733 3.129 -2.633 1.00 0.00 O ATOM 983 CB GLU A 60 -8.541 2.553 -3.001 1.00 0.00 C ATOM 984 CG GLU A 60 -9.141 1.305 -3.614 1.00 0.00 C ATOM 985 CD GLU A 60 -9.830 1.565 -4.938 1.00 0.00 C ATOM 986 OE1 GLU A 60 -9.155 1.994 -5.899 1.00 0.00 O ATOM 987 OE2 GLU A 60 -11.048 1.327 -5.023 1.00 0.00 O ATOM 0 H GLU A 60 -8.457 4.940 -1.599 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.775 3.889 -4.064 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.621 2.798 -3.532 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.266 2.340 -1.968 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.354 0.565 -3.760 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.859 0.874 -2.916 1.00 0.00 H new ATOM 994 N GLY A 61 -10.567 4.005 -0.918 1.00 0.00 N ATOM 995 CA GLY A 61 -11.730 4.337 -0.122 1.00 0.00 C ATOM 996 C GLY A 61 -12.331 5.638 -0.621 1.00 0.00 C ATOM 997 O GLY A 61 -12.704 6.521 0.145 1.00 0.00 O ATOM 0 H GLY A 61 -9.675 4.120 -0.437 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.467 3.536 -0.184 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.451 4.432 0.927 1.00 0.00 H new ATOM 1001 N ASP A 62 -12.347 5.748 -1.931 1.00 0.00 N ATOM 1002 CA ASP A 62 -12.913 6.869 -2.648 1.00 0.00 C ATOM 1003 C ASP A 62 -14.343 6.511 -2.970 1.00 0.00 C ATOM 1004 O ASP A 62 -14.703 5.340 -2.825 1.00 0.00 O ATOM 1005 CB ASP A 62 -12.091 7.080 -3.938 1.00 0.00 C ATOM 1006 CG ASP A 62 -12.607 8.185 -4.840 1.00 0.00 C ATOM 1007 OD1 ASP A 62 -12.210 9.357 -4.650 1.00 0.00 O ATOM 1008 OD2 ASP A 62 -13.397 7.887 -5.759 1.00 0.00 O ATOM 0 H ASP A 62 -11.953 5.036 -2.547 1.00 0.00 H new ATOM 0 HA ASP A 62 -12.888 7.790 -2.066 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.060 7.304 -3.664 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.076 6.147 -4.501 1.00 0.00 H new ATOM 1013 N PRO A 63 -15.195 7.500 -3.293 1.00 0.00 N ATOM 1014 CA PRO A 63 -16.507 7.264 -3.916 1.00 0.00 C ATOM 1015 C PRO A 63 -16.415 6.340 -5.141 1.00 0.00 C ATOM 1016 O PRO A 63 -16.762 6.725 -6.260 1.00 0.00 O ATOM 1017 CB PRO A 63 -16.946 8.664 -4.347 1.00 0.00 C ATOM 1018 CG PRO A 63 -16.258 9.594 -3.409 1.00 0.00 C ATOM 1019 CD PRO A 63 -14.972 8.927 -2.995 1.00 0.00 C ATOM 0 HA PRO A 63 -17.199 6.770 -3.234 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -16.662 8.865 -5.380 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.029 8.773 -4.287 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.059 10.551 -3.891 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.884 9.799 -2.540 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.121 9.322 -3.550 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -14.763 9.085 -1.937 1.00 0.00 H new ATOM 1027 N GLN A 64 -15.953 5.124 -4.900 1.00 0.00 N ATOM 1028 CA GLN A 64 -15.695 4.142 -5.927 1.00 0.00 C ATOM 1029 C GLN A 64 -15.868 2.748 -5.343 1.00 0.00 C ATOM 1030 O GLN A 64 -16.759 2.010 -5.752 1.00 0.00 O ATOM 1031 CB GLN A 64 -14.265 4.277 -6.467 1.00 0.00 C ATOM 1032 CG GLN A 64 -14.033 3.528 -7.770 1.00 0.00 C ATOM 1033 CD GLN A 64 -12.567 3.445 -8.156 1.00 0.00 C ATOM 1034 OE1 GLN A 64 -12.224 3.436 -9.339 1.00 0.00 O ATOM 1035 NE2 GLN A 64 -11.693 3.342 -7.167 1.00 0.00 N ATOM 0 H GLN A 64 -15.743 4.789 -3.960 1.00 0.00 H new ATOM 0 HA GLN A 64 -16.398 4.305 -6.744 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -14.041 5.333 -6.620 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -13.566 3.909 -5.716 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -14.436 2.519 -7.679 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -14.586 4.022 -8.569 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -12.014 3.353 -6.199 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.698 3.251 -7.373 1.00 0.00 H new ATOM 1044 N ALA A 65 -15.029 2.390 -4.362 1.00 0.00 N ATOM 1045 CA ALA A 65 -15.004 1.014 -3.897 1.00 0.00 C ATOM 1046 C ALA A 65 -14.697 0.859 -2.405 1.00 0.00 C ATOM 1047 O ALA A 65 -15.576 0.552 -1.602 1.00 0.00 O ATOM 1048 CB ALA A 65 -13.967 0.258 -4.703 1.00 0.00 C ATOM 0 H ALA A 65 -14.379 3.020 -3.892 1.00 0.00 H new ATOM 0 HA ALA A 65 -16.007 0.613 -4.039 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.932 -0.779 -4.369 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -14.233 0.290 -5.760 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.989 0.718 -4.561 1.00 0.00 H new ATOM 1054 N THR A 66 -13.449 1.106 -2.054 1.00 0.00 N ATOM 1055 CA THR A 66 -12.851 0.625 -0.811 1.00 0.00 C ATOM 1056 C THR A 66 -13.307 1.380 0.466 1.00 0.00 C ATOM 1057 O THR A 66 -12.874 1.029 1.563 1.00 0.00 O ATOM 1058 CB THR A 66 -11.302 0.636 -1.002 1.00 0.00 C ATOM 1059 OG1 THR A 66 -10.886 -0.590 -1.615 1.00 0.00 O ATOM 1060 CG2 THR A 66 -10.509 0.865 0.273 1.00 0.00 C ATOM 0 H THR A 66 -12.809 1.654 -2.629 1.00 0.00 H new ATOM 0 HA THR A 66 -13.207 -0.388 -0.626 1.00 0.00 H new ATOM 0 HB THR A 66 -11.086 1.491 -1.643 1.00 0.00 H new ATOM 0 HG1 THR A 66 -9.930 -0.729 -1.452 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.443 0.857 0.045 1.00 0.00 H new ATOM 0 HG22 THR A 66 -10.781 1.829 0.702 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.733 0.073 0.988 1.00 0.00 H new ATOM 1068 N LEU A 67 -14.246 2.335 0.337 1.00 0.00 N ATOM 1069 CA LEU A 67 -14.698 3.167 1.483 1.00 0.00 C ATOM 1070 C LEU A 67 -14.754 2.378 2.777 1.00 0.00 C ATOM 1071 O LEU A 67 -14.078 2.697 3.756 1.00 0.00 O ATOM 1072 CB LEU A 67 -16.097 3.732 1.249 1.00 0.00 C ATOM 1073 CG LEU A 67 -16.276 4.517 -0.029 1.00 0.00 C ATOM 1074 CD1 LEU A 67 -17.744 4.822 -0.275 1.00 0.00 C ATOM 1075 CD2 LEU A 67 -15.484 5.798 0.068 1.00 0.00 C ATOM 0 H LEU A 67 -14.710 2.555 -0.545 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.964 3.969 1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -16.808 2.906 1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -16.355 4.376 2.090 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.914 3.923 -0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -17.848 5.388 -1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -18.301 3.889 -0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -18.138 5.409 0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -15.607 6.372 -0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.843 6.385 0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -14.429 5.564 0.211 1.00 0.00 H new ATOM 1087 N GLU A 68 -15.566 1.345 2.758 1.00 0.00 N ATOM 1088 CA GLU A 68 -15.711 0.460 3.902 1.00 0.00 C ATOM 1089 C GLU A 68 -15.378 -0.959 3.484 1.00 0.00 C ATOM 1090 O GLU A 68 -15.482 -1.909 4.260 1.00 0.00 O ATOM 1091 CB GLU A 68 -17.134 0.538 4.470 1.00 0.00 C ATOM 1092 CG GLU A 68 -18.199 -0.123 3.601 1.00 0.00 C ATOM 1093 CD GLU A 68 -18.468 0.631 2.314 1.00 0.00 C ATOM 1094 OE1 GLU A 68 -17.752 0.395 1.318 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -19.395 1.465 2.296 1.00 0.00 O ATOM 0 H GLU A 68 -16.143 1.092 1.956 1.00 0.00 H new ATOM 0 HA GLU A 68 -15.022 0.773 4.686 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -17.145 0.070 5.455 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -17.398 1.586 4.612 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -17.885 -1.139 3.361 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -19.126 -0.202 4.169 1.00 0.00 H new ATOM 1102 N ALA A 69 -14.941 -1.069 2.247 1.00 0.00 N ATOM 1103 CA ALA A 69 -14.666 -2.351 1.629 1.00 0.00 C ATOM 1104 C ALA A 69 -13.181 -2.654 1.644 1.00 0.00 C ATOM 1105 O ALA A 69 -12.755 -3.665 1.089 1.00 0.00 O ATOM 1106 CB ALA A 69 -15.163 -2.354 0.200 1.00 0.00 C ATOM 0 H ALA A 69 -14.766 -0.269 1.639 1.00 0.00 H new ATOM 0 HA ALA A 69 -15.186 -3.119 2.201 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -14.952 -3.321 -0.257 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -16.238 -2.174 0.188 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -14.657 -1.569 -0.363 1.00 0.00 H new ATOM 1112 N ALA A 70 -12.412 -1.748 2.252 1.00 0.00 N ATOM 1113 CA ALA A 70 -10.956 -1.873 2.362 1.00 0.00 C ATOM 1114 C ALA A 70 -10.544 -3.304 2.679 1.00 0.00 C ATOM 1115 O ALA A 70 -10.628 -3.749 3.823 1.00 0.00 O ATOM 1116 CB ALA A 70 -10.431 -0.917 3.421 1.00 0.00 C ATOM 0 H ALA A 70 -12.784 -0.902 2.684 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.518 -1.611 1.399 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.348 -1.016 3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.683 0.107 3.144 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.885 -1.155 4.383 1.00 0.00 H new TER 1122 ALA A 70