USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 773 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 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 61 GLN : amide:sc= -0.9 K(o=-0.9,f=-4.1!) USER MOD Set 2.1: A 41 HIS :FLIP no HD1:sc= -4.54 F(o=-12!,f=-8.5) USER MOD Set 2.2: A 45 HIS : no HD1:sc= -3.98! C(o=-8.5!,f=-13!) USER MOD Set 3.1: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00198) USER MOD Single : A 8 GLN : amide:sc= -0.0216 X(o=-0.022,f=-0.15) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.0798 F(o=-0.81,f=-0.08) USER MOD Single : A 21 THR OG1 : rot -160:sc= -0.96 USER MOD Single : A 23 SER OG : rot -119:sc= 0.204 USER MOD Single : A 27 GLN : amide:sc= -2.15! C(o=-2.1!,f=-2.7!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.72! C(o=-1.7!,f=-4.4!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0314 USER MOD Single : A 52 HIS : no HD1:sc= -0.205 X(o=-0.21,f=-0.021) USER MOD Single : A 58 MET CE :methyl 140:sc= -1.66 (180deg=-7.03!) USER MOD Single : A 70 GLN : amide:sc= -5.37! C(o=-5.4!,f=-10!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 79.167 -1.602 -8.144 1.00 0.00 N ATOM 2 CA PRO A 1 79.032 -2.556 -9.288 1.00 0.00 C ATOM 3 C PRO A 1 78.135 -1.945 -10.366 1.00 0.00 C ATOM 4 O PRO A 1 77.929 -0.748 -10.411 1.00 0.00 O ATOM 5 CB PRO A 1 78.402 -3.846 -8.764 1.00 0.00 C ATOM 6 CG PRO A 1 78.156 -3.656 -7.273 1.00 0.00 C ATOM 7 CD PRO A 1 78.637 -2.252 -6.907 1.00 0.00 C ATOM 0 H2 PRO A 1 78.653 -0.743 -8.339 1.00 0.00 H new ATOM 0 H3 PRO A 1 80.145 -1.342 -8.015 1.00 0.00 H new ATOM 0 HA PRO A 1 80.010 -2.764 -9.722 1.00 0.00 H new ATOM 0 HB2 PRO A 1 77.467 -4.056 -9.284 1.00 0.00 H new ATOM 0 HB3 PRO A 1 79.062 -4.695 -8.939 1.00 0.00 H new ATOM 0 HG2 PRO A 1 77.097 -3.772 -7.041 1.00 0.00 H new ATOM 0 HG3 PRO A 1 78.693 -4.409 -6.696 1.00 0.00 H new ATOM 0 HD2 PRO A 1 77.817 -1.666 -6.491 1.00 0.00 H new ATOM 0 HD3 PRO A 1 79.412 -2.303 -6.143 1.00 0.00 H new ATOM 17 N ILE A 2 77.595 -2.757 -11.235 1.00 0.00 N ATOM 18 CA ILE A 2 76.710 -2.224 -12.304 1.00 0.00 C ATOM 19 C ILE A 2 75.785 -3.336 -12.800 1.00 0.00 C ATOM 20 O ILE A 2 76.133 -4.500 -12.786 1.00 0.00 O ATOM 21 CB ILE A 2 77.552 -1.708 -13.474 1.00 0.00 C ATOM 22 CG1 ILE A 2 78.911 -1.223 -12.962 1.00 0.00 C ATOM 23 CG2 ILE A 2 76.824 -0.547 -14.152 1.00 0.00 C ATOM 24 CD1 ILE A 2 79.820 -0.901 -14.148 1.00 0.00 C ATOM 0 H ILE A 2 77.730 -3.768 -11.248 1.00 0.00 H new ATOM 0 HA ILE A 2 76.118 -1.403 -11.899 1.00 0.00 H new ATOM 0 HB ILE A 2 77.703 -2.516 -14.190 1.00 0.00 H new ATOM 0 HG12 ILE A 2 78.782 -0.338 -12.339 1.00 0.00 H new ATOM 0 HG13 ILE A 2 79.370 -1.989 -12.336 1.00 0.00 H new ATOM 0 HG21 ILE A 2 77.423 -0.179 -14.985 1.00 0.00 H new ATOM 0 HG22 ILE A 2 75.858 -0.890 -14.523 1.00 0.00 H new ATOM 0 HG23 ILE A 2 76.671 0.257 -13.432 1.00 0.00 H new ATOM 0 HD11 ILE A 2 80.787 -0.556 -13.782 1.00 0.00 H new ATOM 0 HD12 ILE A 2 79.960 -1.797 -14.753 1.00 0.00 H new ATOM 0 HD13 ILE A 2 79.362 -0.120 -14.756 1.00 0.00 H new ATOM 36 N THR A 3 74.607 -2.988 -13.237 1.00 0.00 N ATOM 37 CA THR A 3 73.660 -4.018 -13.732 1.00 0.00 C ATOM 38 C THR A 3 72.429 -3.338 -14.346 1.00 0.00 C ATOM 39 O THR A 3 72.446 -2.164 -14.661 1.00 0.00 O ATOM 40 CB THR A 3 73.260 -4.953 -12.573 1.00 0.00 C ATOM 41 OG1 THR A 3 73.156 -6.282 -13.061 1.00 0.00 O ATOM 42 CG2 THR A 3 71.918 -4.535 -11.958 1.00 0.00 C ATOM 0 H THR A 3 74.260 -2.029 -13.272 1.00 0.00 H new ATOM 0 HA THR A 3 74.139 -4.618 -14.506 1.00 0.00 H new ATOM 0 HB THR A 3 74.026 -4.889 -11.800 1.00 0.00 H new ATOM 0 HG1 THR A 3 72.904 -6.881 -12.328 1.00 0.00 H new ATOM 0 HG21 THR A 3 71.664 -5.214 -11.144 1.00 0.00 H new ATOM 0 HG22 THR A 3 71.995 -3.518 -11.572 1.00 0.00 H new ATOM 0 HG23 THR A 3 71.140 -4.576 -12.720 1.00 0.00 H new ATOM 50 N LYS A 4 71.364 -4.072 -14.523 1.00 0.00 N ATOM 51 CA LYS A 4 70.135 -3.478 -15.120 1.00 0.00 C ATOM 52 C LYS A 4 69.682 -2.269 -14.296 1.00 0.00 C ATOM 53 O LYS A 4 69.850 -1.136 -14.698 1.00 0.00 O ATOM 54 CB LYS A 4 69.022 -4.528 -15.137 1.00 0.00 C ATOM 55 CG LYS A 4 69.144 -5.381 -16.401 1.00 0.00 C ATOM 56 CD LYS A 4 68.803 -6.835 -16.071 1.00 0.00 C ATOM 57 CE LYS A 4 67.711 -7.333 -17.020 1.00 0.00 C ATOM 58 NZ LYS A 4 68.059 -8.698 -17.505 1.00 0.00 N ATOM 0 H LYS A 4 71.293 -5.060 -14.279 1.00 0.00 H new ATOM 0 HA LYS A 4 70.352 -3.154 -16.138 1.00 0.00 H new ATOM 0 HB2 LYS A 4 69.090 -5.160 -14.251 1.00 0.00 H new ATOM 0 HB3 LYS A 4 68.047 -4.041 -15.107 1.00 0.00 H new ATOM 0 HG2 LYS A 4 68.472 -5.005 -17.172 1.00 0.00 H new ATOM 0 HG3 LYS A 4 70.156 -5.315 -16.800 1.00 0.00 H new ATOM 0 HD2 LYS A 4 69.692 -7.458 -16.165 1.00 0.00 H new ATOM 0 HD3 LYS A 4 68.465 -6.915 -15.038 1.00 0.00 H new ATOM 0 HE2 LYS A 4 66.749 -7.352 -16.507 1.00 0.00 H new ATOM 0 HE3 LYS A 4 67.609 -6.651 -17.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 67.317 -9.037 -18.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 68.968 -8.666 -18.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 68.135 -9.345 -16.695 1.00 0.00 H new ATOM 72 N GLU A 5 69.097 -2.500 -13.150 1.00 0.00 N ATOM 73 CA GLU A 5 68.621 -1.365 -12.315 1.00 0.00 C ATOM 74 C GLU A 5 69.726 -0.905 -11.376 1.00 0.00 C ATOM 75 O GLU A 5 69.490 -0.233 -10.391 1.00 0.00 O ATOM 76 CB GLU A 5 67.416 -1.808 -11.496 1.00 0.00 C ATOM 77 CG GLU A 5 66.158 -1.105 -12.009 1.00 0.00 C ATOM 78 CD GLU A 5 65.972 -1.412 -13.497 1.00 0.00 C ATOM 79 OE1 GLU A 5 65.736 -2.564 -13.819 1.00 0.00 O ATOM 80 OE2 GLU A 5 66.069 -0.488 -14.287 1.00 0.00 O ATOM 0 H GLU A 5 68.930 -3.427 -12.759 1.00 0.00 H new ATOM 0 HA GLU A 5 68.340 -0.538 -12.968 1.00 0.00 H new ATOM 0 HB2 GLU A 5 67.294 -2.889 -11.566 1.00 0.00 H new ATOM 0 HB3 GLU A 5 67.573 -1.572 -10.443 1.00 0.00 H new ATOM 0 HG2 GLU A 5 65.287 -1.440 -11.446 1.00 0.00 H new ATOM 0 HG3 GLU A 5 66.242 -0.029 -11.857 1.00 0.00 H new ATOM 87 N GLU A 6 70.925 -1.254 -11.687 1.00 0.00 N ATOM 88 CA GLU A 6 72.071 -0.839 -10.839 1.00 0.00 C ATOM 89 C GLU A 6 72.601 0.503 -11.321 1.00 0.00 C ATOM 90 O GLU A 6 73.550 1.049 -10.793 1.00 0.00 O ATOM 91 CB GLU A 6 73.172 -1.886 -10.930 1.00 0.00 C ATOM 92 CG GLU A 6 72.975 -2.935 -9.836 1.00 0.00 C ATOM 93 CD GLU A 6 73.635 -2.456 -8.541 1.00 0.00 C ATOM 94 OE1 GLU A 6 74.044 -1.308 -8.499 1.00 0.00 O ATOM 95 OE2 GLU A 6 73.720 -3.246 -7.615 1.00 0.00 O ATOM 0 H GLU A 6 71.172 -1.816 -12.501 1.00 0.00 H new ATOM 0 HA GLU A 6 71.743 -0.746 -9.804 1.00 0.00 H new ATOM 0 HB2 GLU A 6 73.155 -2.361 -11.911 1.00 0.00 H new ATOM 0 HB3 GLU A 6 74.148 -1.412 -10.822 1.00 0.00 H new ATOM 0 HG2 GLU A 6 71.912 -3.108 -9.672 1.00 0.00 H new ATOM 0 HG3 GLU A 6 73.409 -3.885 -10.147 1.00 0.00 H new ATOM 102 N LYS A 7 71.979 1.026 -12.318 1.00 0.00 N ATOM 103 CA LYS A 7 72.400 2.336 -12.875 1.00 0.00 C ATOM 104 C LYS A 7 71.165 3.183 -13.207 1.00 0.00 C ATOM 105 O LYS A 7 71.279 4.289 -13.698 1.00 0.00 O ATOM 106 CB LYS A 7 73.219 2.110 -14.147 1.00 0.00 C ATOM 107 CG LYS A 7 74.646 1.705 -13.768 1.00 0.00 C ATOM 108 CD LYS A 7 75.471 2.959 -13.475 1.00 0.00 C ATOM 109 CE LYS A 7 76.886 2.783 -14.030 1.00 0.00 C ATOM 110 NZ LYS A 7 77.853 2.674 -12.900 1.00 0.00 N ATOM 0 H LYS A 7 71.179 0.599 -12.786 1.00 0.00 H new ATOM 0 HA LYS A 7 73.007 2.860 -12.137 1.00 0.00 H new ATOM 0 HB2 LYS A 7 72.758 1.332 -14.756 1.00 0.00 H new ATOM 0 HB3 LYS A 7 73.235 3.019 -14.749 1.00 0.00 H new ATOM 0 HG2 LYS A 7 74.631 1.054 -12.894 1.00 0.00 H new ATOM 0 HG3 LYS A 7 75.102 1.138 -14.579 1.00 0.00 H new ATOM 0 HD2 LYS A 7 74.998 3.831 -13.926 1.00 0.00 H new ATOM 0 HD3 LYS A 7 75.510 3.138 -12.401 1.00 0.00 H new ATOM 0 HE2 LYS A 7 76.935 1.890 -14.653 1.00 0.00 H new ATOM 0 HE3 LYS A 7 77.147 3.629 -14.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 78.813 2.537 -13.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 77.824 3.545 -12.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 77.597 1.863 -12.301 1.00 0.00 H new ATOM 124 N GLN A 8 69.987 2.679 -12.946 1.00 0.00 N ATOM 125 CA GLN A 8 68.760 3.466 -13.254 1.00 0.00 C ATOM 126 C GLN A 8 68.849 4.837 -12.580 1.00 0.00 C ATOM 127 O GLN A 8 68.316 5.813 -13.067 1.00 0.00 O ATOM 128 CB GLN A 8 67.529 2.720 -12.733 1.00 0.00 C ATOM 129 CG GLN A 8 67.751 2.320 -11.273 1.00 0.00 C ATOM 130 CD GLN A 8 66.510 2.678 -10.452 1.00 0.00 C ATOM 131 OE1 GLN A 8 65.396 2.445 -10.878 1.00 0.00 O ATOM 132 NE2 GLN A 8 66.656 3.238 -9.283 1.00 0.00 N ATOM 0 H GLN A 8 69.823 1.760 -12.535 1.00 0.00 H new ATOM 0 HA GLN A 8 68.675 3.597 -14.333 1.00 0.00 H new ATOM 0 HB2 GLN A 8 66.645 3.353 -12.817 1.00 0.00 H new ATOM 0 HB3 GLN A 8 67.345 1.833 -13.340 1.00 0.00 H new ATOM 0 HG2 GLN A 8 67.950 1.251 -11.204 1.00 0.00 H new ATOM 0 HG3 GLN A 8 68.625 2.833 -10.873 1.00 0.00 H new ATOM 0 HE21 GLN A 8 67.591 3.434 -8.925 1.00 0.00 H new ATOM 0 HE22 GLN A 8 65.836 3.480 -8.727 1.00 0.00 H new ATOM 141 N LYS A 9 69.523 4.918 -11.464 1.00 0.00 N ATOM 142 CA LYS A 9 69.648 6.225 -10.760 1.00 0.00 C ATOM 143 C LYS A 9 70.438 6.033 -9.463 1.00 0.00 C ATOM 144 O LYS A 9 70.204 6.705 -8.479 1.00 0.00 O ATOM 145 CB LYS A 9 68.253 6.765 -10.429 1.00 0.00 C ATOM 146 CG LYS A 9 68.369 8.207 -9.930 1.00 0.00 C ATOM 147 CD LYS A 9 67.547 9.127 -10.835 1.00 0.00 C ATOM 148 CE LYS A 9 66.920 10.242 -9.995 1.00 0.00 C ATOM 149 NZ LYS A 9 65.825 10.891 -10.770 1.00 0.00 N ATOM 0 H LYS A 9 69.992 4.134 -11.010 1.00 0.00 H new ATOM 0 HA LYS A 9 70.169 6.934 -11.404 1.00 0.00 H new ATOM 0 HB2 LYS A 9 67.617 6.725 -11.313 1.00 0.00 H new ATOM 0 HB3 LYS A 9 67.781 6.143 -9.668 1.00 0.00 H new ATOM 0 HG2 LYS A 9 68.013 8.277 -8.902 1.00 0.00 H new ATOM 0 HG3 LYS A 9 69.413 8.520 -9.928 1.00 0.00 H new ATOM 0 HD2 LYS A 9 68.183 9.555 -11.610 1.00 0.00 H new ATOM 0 HD3 LYS A 9 66.768 8.556 -11.341 1.00 0.00 H new ATOM 0 HE2 LYS A 9 66.528 9.834 -9.063 1.00 0.00 H new ATOM 0 HE3 LYS A 9 67.677 10.979 -9.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 65.398 11.649 -10.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 66.212 11.294 -11.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 65.099 10.184 -11.004 1.00 0.00 H new ATOM 163 N VAL A 10 71.372 5.121 -9.454 1.00 0.00 N ATOM 164 CA VAL A 10 72.171 4.889 -8.225 1.00 0.00 C ATOM 165 C VAL A 10 73.295 5.919 -8.145 1.00 0.00 C ATOM 166 O VAL A 10 73.284 6.806 -7.314 1.00 0.00 O ATOM 167 CB VAL A 10 72.770 3.481 -8.261 1.00 0.00 C ATOM 168 CG1 VAL A 10 73.459 3.185 -6.927 1.00 0.00 C ATOM 169 CG2 VAL A 10 71.655 2.461 -8.496 1.00 0.00 C ATOM 0 H VAL A 10 71.614 4.528 -10.248 1.00 0.00 H new ATOM 0 HA VAL A 10 71.527 4.986 -7.351 1.00 0.00 H new ATOM 0 HB VAL A 10 73.500 3.416 -9.068 1.00 0.00 H new ATOM 0 HG11 VAL A 10 73.886 2.182 -6.952 1.00 0.00 H new ATOM 0 HG12 VAL A 10 74.253 3.913 -6.758 1.00 0.00 H new ATOM 0 HG13 VAL A 10 72.730 3.249 -6.119 1.00 0.00 H new ATOM 0 HG21 VAL A 10 72.080 1.457 -8.522 1.00 0.00 H new ATOM 0 HG22 VAL A 10 70.926 2.526 -7.688 1.00 0.00 H new ATOM 0 HG23 VAL A 10 71.163 2.672 -9.446 1.00 0.00 H new ATOM 179 N ILE A 11 74.267 5.807 -9.005 1.00 0.00 N ATOM 180 CA ILE A 11 75.394 6.771 -8.987 1.00 0.00 C ATOM 181 C ILE A 11 74.953 8.067 -9.646 1.00 0.00 C ATOM 182 O ILE A 11 75.177 9.150 -9.152 1.00 0.00 O ATOM 183 CB ILE A 11 76.603 6.172 -9.722 1.00 0.00 C ATOM 184 CG1 ILE A 11 76.647 6.555 -11.216 1.00 0.00 C ATOM 185 CG2 ILE A 11 76.576 4.649 -9.590 1.00 0.00 C ATOM 186 CD1 ILE A 11 75.684 5.681 -12.013 1.00 0.00 C ATOM 0 H ILE A 11 74.327 5.084 -9.722 1.00 0.00 H new ATOM 0 HA ILE A 11 75.687 6.979 -7.958 1.00 0.00 H new ATOM 0 HB ILE A 11 77.498 6.585 -9.257 1.00 0.00 H new ATOM 0 HG12 ILE A 11 76.382 7.605 -11.338 1.00 0.00 H new ATOM 0 HG13 ILE A 11 77.660 6.436 -11.600 1.00 0.00 H new ATOM 0 HG21 ILE A 11 77.433 4.223 -10.111 1.00 0.00 H new ATOM 0 HG22 ILE A 11 76.619 4.374 -8.536 1.00 0.00 H new ATOM 0 HG23 ILE A 11 75.656 4.262 -10.028 1.00 0.00 H new ATOM 0 HD11 ILE A 11 75.724 5.961 -13.066 1.00 0.00 H new ATOM 0 HD12 ILE A 11 75.968 4.634 -11.905 1.00 0.00 H new ATOM 0 HD13 ILE A 11 74.670 5.822 -11.639 1.00 0.00 H new ATOM 198 N GLN A 12 74.326 7.940 -10.766 1.00 0.00 N ATOM 199 CA GLN A 12 73.835 9.142 -11.505 1.00 0.00 C ATOM 200 C GLN A 12 73.298 10.140 -10.483 1.00 0.00 C ATOM 201 O GLN A 12 73.459 11.339 -10.612 1.00 0.00 O ATOM 202 CB GLN A 12 72.716 8.734 -12.466 1.00 0.00 C ATOM 203 CG GLN A 12 73.300 8.505 -13.861 1.00 0.00 C ATOM 204 CD GLN A 12 72.401 9.168 -14.906 1.00 0.00 C ATOM 205 OE1 GLN A 12 71.115 9.241 -14.691 1.00 0.00 O flip ATOM 206 NE2 GLN A 12 72.872 9.626 -15.928 1.00 0.00 N flip ATOM 0 H GLN A 12 74.124 7.047 -11.216 1.00 0.00 H new ATOM 0 HA GLN A 12 74.645 9.590 -12.081 1.00 0.00 H new ATOM 0 HB2 GLN A 12 72.230 7.826 -12.110 1.00 0.00 H new ATOM 0 HB3 GLN A 12 71.952 9.511 -12.503 1.00 0.00 H new ATOM 0 HG2 GLN A 12 74.307 8.918 -13.917 1.00 0.00 H new ATOM 0 HG3 GLN A 12 73.382 7.437 -14.062 1.00 0.00 H new ATOM 0 HE21 GLN A 12 73.876 9.569 -16.097 1.00 0.00 H new ATOM 0 HE22 GLN A 12 72.263 10.067 -16.617 1.00 0.00 H new ATOM 215 N GLU A 13 72.694 9.634 -9.447 1.00 0.00 N ATOM 216 CA GLU A 13 72.173 10.512 -8.375 1.00 0.00 C ATOM 217 C GLU A 13 73.269 10.679 -7.321 1.00 0.00 C ATOM 218 O GLU A 13 73.433 11.730 -6.734 1.00 0.00 O ATOM 219 CB GLU A 13 70.938 9.870 -7.740 1.00 0.00 C ATOM 220 CG GLU A 13 70.015 10.964 -7.199 1.00 0.00 C ATOM 221 CD GLU A 13 68.612 10.391 -6.992 1.00 0.00 C ATOM 222 OE1 GLU A 13 68.513 9.215 -6.680 1.00 0.00 O ATOM 223 OE2 GLU A 13 67.659 11.137 -7.147 1.00 0.00 O ATOM 0 H GLU A 13 72.539 8.637 -9.299 1.00 0.00 H new ATOM 0 HA GLU A 13 71.892 11.483 -8.783 1.00 0.00 H new ATOM 0 HB2 GLU A 13 70.410 9.265 -8.477 1.00 0.00 H new ATOM 0 HB3 GLU A 13 71.237 9.200 -6.934 1.00 0.00 H new ATOM 0 HG2 GLU A 13 70.404 11.350 -6.257 1.00 0.00 H new ATOM 0 HG3 GLU A 13 69.978 11.801 -7.896 1.00 0.00 H new ATOM 230 N PHE A 14 74.022 9.636 -7.084 1.00 0.00 N ATOM 231 CA PHE A 14 75.114 9.703 -6.080 1.00 0.00 C ATOM 232 C PHE A 14 76.395 10.218 -6.742 1.00 0.00 C ATOM 233 O PHE A 14 76.842 11.316 -6.474 1.00 0.00 O ATOM 234 CB PHE A 14 75.364 8.308 -5.506 1.00 0.00 C ATOM 235 CG PHE A 14 74.448 8.074 -4.330 1.00 0.00 C ATOM 236 CD1 PHE A 14 73.075 7.895 -4.537 1.00 0.00 C ATOM 237 CD2 PHE A 14 74.971 8.036 -3.032 1.00 0.00 C ATOM 238 CE1 PHE A 14 72.225 7.678 -3.447 1.00 0.00 C ATOM 239 CE2 PHE A 14 74.121 7.819 -1.941 1.00 0.00 C ATOM 240 CZ PHE A 14 72.747 7.639 -2.148 1.00 0.00 C ATOM 0 H PHE A 14 73.922 8.734 -7.550 1.00 0.00 H new ATOM 0 HA PHE A 14 74.824 10.382 -5.278 1.00 0.00 H new ATOM 0 HB2 PHE A 14 75.190 7.552 -6.272 1.00 0.00 H new ATOM 0 HB3 PHE A 14 76.404 8.213 -5.194 1.00 0.00 H new ATOM 0 HD1 PHE A 14 72.672 7.924 -5.538 1.00 0.00 H new ATOM 0 HD2 PHE A 14 76.030 8.174 -2.872 1.00 0.00 H new ATOM 0 HE1 PHE A 14 71.166 7.541 -3.607 1.00 0.00 H new ATOM 0 HE2 PHE A 14 74.524 7.790 -0.940 1.00 0.00 H new ATOM 0 HZ PHE A 14 72.091 7.470 -1.307 1.00 0.00 H new ATOM 250 N ALA A 15 76.992 9.436 -7.601 1.00 0.00 N ATOM 251 CA ALA A 15 78.243 9.890 -8.269 1.00 0.00 C ATOM 252 C ALA A 15 77.994 11.216 -8.982 1.00 0.00 C ATOM 253 O ALA A 15 77.224 11.293 -9.919 1.00 0.00 O ATOM 254 CB ALA A 15 78.689 8.849 -9.298 1.00 0.00 C ATOM 0 H ALA A 15 76.668 8.506 -7.867 1.00 0.00 H new ATOM 0 HA ALA A 15 79.020 10.017 -7.515 1.00 0.00 H new ATOM 0 HB1 ALA A 15 79.605 9.186 -9.784 1.00 0.00 H new ATOM 0 HB2 ALA A 15 78.873 7.898 -8.798 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.908 8.720 -10.047 1.00 0.00 H new ATOM 260 N ARG A 16 78.652 12.261 -8.562 1.00 0.00 N ATOM 261 CA ARG A 16 78.461 13.573 -9.236 1.00 0.00 C ATOM 262 C ARG A 16 79.523 13.724 -10.321 1.00 0.00 C ATOM 263 O ARG A 16 79.970 14.809 -10.632 1.00 0.00 O ATOM 264 CB ARG A 16 78.595 14.708 -8.217 1.00 0.00 C ATOM 265 CG ARG A 16 79.749 14.406 -7.259 1.00 0.00 C ATOM 266 CD ARG A 16 79.190 13.885 -5.935 1.00 0.00 C ATOM 267 NE ARG A 16 78.443 14.975 -5.248 1.00 0.00 N ATOM 268 CZ ARG A 16 78.882 15.457 -4.117 1.00 0.00 C ATOM 269 NH1 ARG A 16 79.977 16.167 -4.093 1.00 0.00 N ATOM 270 NH2 ARG A 16 78.227 15.229 -3.012 1.00 0.00 N ATOM 0 H ARG A 16 79.311 12.262 -7.784 1.00 0.00 H new ATOM 0 HA ARG A 16 77.467 13.619 -9.680 1.00 0.00 H new ATOM 0 HB2 ARG A 16 78.774 15.652 -8.731 1.00 0.00 H new ATOM 0 HB3 ARG A 16 77.666 14.820 -7.659 1.00 0.00 H new ATOM 0 HG2 ARG A 16 80.417 13.666 -7.700 1.00 0.00 H new ATOM 0 HG3 ARG A 16 80.339 15.307 -7.088 1.00 0.00 H new ATOM 0 HD2 ARG A 16 78.531 13.036 -6.115 1.00 0.00 H new ATOM 0 HD3 ARG A 16 80.002 13.530 -5.300 1.00 0.00 H new ATOM 0 HE ARG A 16 77.587 15.345 -5.662 1.00 0.00 H new ATOM 0 HH11 ARG A 16 80.489 16.345 -4.957 1.00 0.00 H new ATOM 0 HH12 ARG A 16 80.321 16.544 -3.210 1.00 0.00 H new ATOM 0 HH21 ARG A 16 77.371 14.674 -3.032 1.00 0.00 H new ATOM 0 HH22 ARG A 16 78.570 15.606 -2.129 1.00 0.00 H new ATOM 284 N PHE A 17 79.930 12.627 -10.891 1.00 0.00 N ATOM 285 CA PHE A 17 80.969 12.668 -11.954 1.00 0.00 C ATOM 286 C PHE A 17 80.978 11.321 -12.674 1.00 0.00 C ATOM 287 O PHE A 17 80.361 10.377 -12.220 1.00 0.00 O ATOM 288 CB PHE A 17 82.335 12.911 -11.306 1.00 0.00 C ATOM 289 CG PHE A 17 82.681 14.380 -11.370 1.00 0.00 C ATOM 290 CD1 PHE A 17 82.439 15.110 -12.540 1.00 0.00 C ATOM 291 CD2 PHE A 17 83.244 15.013 -10.255 1.00 0.00 C ATOM 292 CE1 PHE A 17 82.761 16.471 -12.596 1.00 0.00 C ATOM 293 CE2 PHE A 17 83.565 16.374 -10.310 1.00 0.00 C ATOM 294 CZ PHE A 17 83.324 17.103 -11.480 1.00 0.00 C ATOM 0 H PHE A 17 79.584 11.695 -10.664 1.00 0.00 H new ATOM 0 HA PHE A 17 80.757 13.467 -12.664 1.00 0.00 H new ATOM 0 HB2 PHE A 17 82.319 12.577 -10.269 1.00 0.00 H new ATOM 0 HB3 PHE A 17 83.099 12.326 -11.818 1.00 0.00 H new ATOM 0 HD1 PHE A 17 82.004 14.623 -13.400 1.00 0.00 H new ATOM 0 HD2 PHE A 17 83.431 14.451 -9.352 1.00 0.00 H new ATOM 0 HE1 PHE A 17 82.575 17.033 -13.499 1.00 0.00 H new ATOM 0 HE2 PHE A 17 83.999 16.862 -9.450 1.00 0.00 H new ATOM 0 HZ PHE A 17 83.572 18.153 -11.522 1.00 0.00 H new ATOM 304 N PRO A 18 81.692 11.263 -13.763 1.00 0.00 N ATOM 305 CA PRO A 18 81.816 10.028 -14.553 1.00 0.00 C ATOM 306 C PRO A 18 82.716 9.031 -13.816 1.00 0.00 C ATOM 307 O PRO A 18 82.944 7.927 -14.268 1.00 0.00 O ATOM 308 CB PRO A 18 82.440 10.501 -15.869 1.00 0.00 C ATOM 309 CG PRO A 18 83.131 11.850 -15.560 1.00 0.00 C ATOM 310 CD PRO A 18 82.443 12.413 -14.306 1.00 0.00 C ATOM 0 HA PRO A 18 80.870 9.511 -14.718 1.00 0.00 H new ATOM 0 HB2 PRO A 18 83.159 9.772 -16.243 1.00 0.00 H new ATOM 0 HB3 PRO A 18 81.679 10.621 -16.640 1.00 0.00 H new ATOM 0 HG2 PRO A 18 84.198 11.709 -15.387 1.00 0.00 H new ATOM 0 HG3 PRO A 18 83.032 12.538 -16.399 1.00 0.00 H new ATOM 0 HD2 PRO A 18 83.170 12.790 -13.587 1.00 0.00 H new ATOM 0 HD3 PRO A 18 81.780 13.242 -14.553 1.00 0.00 H new ATOM 318 N GLY A 19 83.218 9.417 -12.671 1.00 0.00 N ATOM 319 CA GLY A 19 84.089 8.505 -11.883 1.00 0.00 C ATOM 320 C GLY A 19 83.780 8.676 -10.392 1.00 0.00 C ATOM 321 O GLY A 19 84.469 8.146 -9.543 1.00 0.00 O ATOM 0 H GLY A 19 83.059 10.332 -12.249 1.00 0.00 H new ATOM 0 HA2 GLY A 19 83.921 7.471 -12.185 1.00 0.00 H new ATOM 0 HA3 GLY A 19 85.138 8.727 -12.077 1.00 0.00 H new ATOM 325 N ASP A 20 82.746 9.412 -10.063 1.00 0.00 N ATOM 326 CA ASP A 20 82.398 9.612 -8.631 1.00 0.00 C ATOM 327 C ASP A 20 81.424 8.528 -8.185 1.00 0.00 C ATOM 328 O ASP A 20 80.708 8.669 -7.213 1.00 0.00 O ATOM 329 CB ASP A 20 81.768 10.992 -8.436 1.00 0.00 C ATOM 330 CG ASP A 20 82.853 12.000 -8.056 1.00 0.00 C ATOM 331 OD1 ASP A 20 83.830 12.090 -8.780 1.00 0.00 O ATOM 332 OD2 ASP A 20 82.689 12.665 -7.046 1.00 0.00 O ATOM 0 H ASP A 20 82.131 9.881 -10.728 1.00 0.00 H new ATOM 0 HA ASP A 20 83.304 9.549 -8.029 1.00 0.00 H new ATOM 0 HB2 ASP A 20 81.268 11.308 -9.352 1.00 0.00 H new ATOM 0 HB3 ASP A 20 81.008 10.949 -7.656 1.00 0.00 H new ATOM 337 N THR A 21 81.414 7.444 -8.888 1.00 0.00 N ATOM 338 CA THR A 21 80.515 6.312 -8.529 1.00 0.00 C ATOM 339 C THR A 21 81.326 5.283 -7.748 1.00 0.00 C ATOM 340 O THR A 21 80.789 4.457 -7.037 1.00 0.00 O ATOM 341 CB THR A 21 79.951 5.668 -9.799 1.00 0.00 C ATOM 342 OG1 THR A 21 79.593 4.320 -9.525 1.00 0.00 O ATOM 343 CG2 THR A 21 81.002 5.702 -10.906 1.00 0.00 C ATOM 0 H THR A 21 81.997 7.285 -9.710 1.00 0.00 H new ATOM 0 HA THR A 21 79.684 6.675 -7.924 1.00 0.00 H new ATOM 0 HB THR A 21 79.070 6.222 -10.124 1.00 0.00 H new ATOM 0 HG1 THR A 21 79.538 3.819 -10.365 1.00 0.00 H new ATOM 0 HG21 THR A 21 80.596 5.243 -11.807 1.00 0.00 H new ATOM 0 HG22 THR A 21 81.275 6.736 -11.117 1.00 0.00 H new ATOM 0 HG23 THR A 21 81.886 5.152 -10.585 1.00 0.00 H new ATOM 351 N GLY A 22 82.623 5.344 -7.862 1.00 0.00 N ATOM 352 CA GLY A 22 83.484 4.388 -7.116 1.00 0.00 C ATOM 353 C GLY A 22 83.839 5.005 -5.763 1.00 0.00 C ATOM 354 O GLY A 22 84.405 4.358 -4.903 1.00 0.00 O ATOM 0 H GLY A 22 83.124 6.017 -8.442 1.00 0.00 H new ATOM 0 HA2 GLY A 22 82.963 3.441 -6.975 1.00 0.00 H new ATOM 0 HA3 GLY A 22 84.390 4.173 -7.683 1.00 0.00 H new ATOM 358 N SER A 23 83.506 6.254 -5.568 1.00 0.00 N ATOM 359 CA SER A 23 83.819 6.918 -4.271 1.00 0.00 C ATOM 360 C SER A 23 83.292 6.055 -3.122 1.00 0.00 C ATOM 361 O SER A 23 82.797 4.965 -3.330 1.00 0.00 O ATOM 362 CB SER A 23 83.150 8.292 -4.228 1.00 0.00 C ATOM 363 OG SER A 23 81.957 8.257 -5.000 1.00 0.00 O ATOM 0 H SER A 23 83.030 6.842 -6.252 1.00 0.00 H new ATOM 0 HA SER A 23 84.898 7.038 -4.172 1.00 0.00 H new ATOM 0 HB2 SER A 23 82.923 8.567 -3.198 1.00 0.00 H new ATOM 0 HB3 SER A 23 83.827 9.052 -4.618 1.00 0.00 H new ATOM 0 HG SER A 23 82.026 8.898 -5.738 1.00 0.00 H new ATOM 369 N THR A 24 83.393 6.530 -1.911 1.00 0.00 N ATOM 370 CA THR A 24 82.897 5.727 -0.758 1.00 0.00 C ATOM 371 C THR A 24 81.445 6.101 -0.451 1.00 0.00 C ATOM 372 O THR A 24 80.672 5.289 0.015 1.00 0.00 O ATOM 373 CB THR A 24 83.759 6.003 0.474 1.00 0.00 C ATOM 374 OG1 THR A 24 85.074 5.513 0.250 1.00 0.00 O ATOM 375 CG2 THR A 24 83.147 5.300 1.684 1.00 0.00 C ATOM 0 H THR A 24 83.796 7.436 -1.671 1.00 0.00 H new ATOM 0 HA THR A 24 82.954 4.669 -1.013 1.00 0.00 H new ATOM 0 HB THR A 24 83.802 7.076 0.661 1.00 0.00 H new ATOM 0 HG1 THR A 24 85.628 5.691 1.039 1.00 0.00 H new ATOM 0 HG21 THR A 24 83.758 5.494 2.565 1.00 0.00 H new ATOM 0 HG22 THR A 24 82.138 5.677 1.852 1.00 0.00 H new ATOM 0 HG23 THR A 24 83.107 4.227 1.499 1.00 0.00 H new ATOM 383 N GLU A 25 81.068 7.323 -0.703 1.00 0.00 N ATOM 384 CA GLU A 25 79.669 7.740 -0.422 1.00 0.00 C ATOM 385 C GLU A 25 78.728 7.035 -1.397 1.00 0.00 C ATOM 386 O GLU A 25 77.697 6.517 -1.020 1.00 0.00 O ATOM 387 CB GLU A 25 79.551 9.252 -0.604 1.00 0.00 C ATOM 388 CG GLU A 25 80.191 9.959 0.589 1.00 0.00 C ATOM 389 CD GLU A 25 79.407 11.232 0.912 1.00 0.00 C ATOM 390 OE1 GLU A 25 78.768 11.754 0.014 1.00 0.00 O ATOM 391 OE2 GLU A 25 79.458 11.663 2.052 1.00 0.00 O ATOM 0 H GLU A 25 81.669 8.050 -1.091 1.00 0.00 H new ATOM 0 HA GLU A 25 79.401 7.472 0.600 1.00 0.00 H new ATOM 0 HB2 GLU A 25 80.042 9.557 -1.528 1.00 0.00 H new ATOM 0 HB3 GLU A 25 78.503 9.538 -0.691 1.00 0.00 H new ATOM 0 HG2 GLU A 25 80.201 9.297 1.455 1.00 0.00 H new ATOM 0 HG3 GLU A 25 81.229 10.206 0.364 1.00 0.00 H new ATOM 398 N VAL A 26 79.078 7.018 -2.653 1.00 0.00 N ATOM 399 CA VAL A 26 78.210 6.354 -3.662 1.00 0.00 C ATOM 400 C VAL A 26 78.067 4.869 -3.326 1.00 0.00 C ATOM 401 O VAL A 26 77.005 4.296 -3.461 1.00 0.00 O ATOM 402 CB VAL A 26 78.832 6.505 -5.051 1.00 0.00 C ATOM 403 CG1 VAL A 26 77.989 5.740 -6.073 1.00 0.00 C ATOM 404 CG2 VAL A 26 78.874 7.986 -5.433 1.00 0.00 C ATOM 0 H VAL A 26 79.931 7.437 -3.024 1.00 0.00 H new ATOM 0 HA VAL A 26 77.225 6.822 -3.651 1.00 0.00 H new ATOM 0 HB VAL A 26 79.845 6.103 -5.041 1.00 0.00 H new ATOM 0 HG11 VAL A 26 78.432 5.847 -7.063 1.00 0.00 H new ATOM 0 HG12 VAL A 26 77.958 4.685 -5.802 1.00 0.00 H new ATOM 0 HG13 VAL A 26 76.976 6.142 -6.083 1.00 0.00 H new ATOM 0 HG21 VAL A 26 79.317 8.094 -6.423 1.00 0.00 H new ATOM 0 HG22 VAL A 26 77.861 8.388 -5.443 1.00 0.00 H new ATOM 0 HG23 VAL A 26 79.474 8.533 -4.705 1.00 0.00 H new ATOM 414 N GLN A 27 79.123 4.235 -2.890 1.00 0.00 N ATOM 415 CA GLN A 27 79.021 2.792 -2.555 1.00 0.00 C ATOM 416 C GLN A 27 78.129 2.628 -1.330 1.00 0.00 C ATOM 417 O GLN A 27 77.302 1.743 -1.269 1.00 0.00 O ATOM 418 CB GLN A 27 80.411 2.220 -2.267 1.00 0.00 C ATOM 419 CG GLN A 27 81.091 3.054 -1.181 1.00 0.00 C ATOM 420 CD GLN A 27 82.409 2.390 -0.777 1.00 0.00 C ATOM 421 OE1 GLN A 27 83.401 2.514 -1.468 1.00 0.00 O ATOM 422 NE2 GLN A 27 82.461 1.686 0.320 1.00 0.00 N ATOM 0 H GLN A 27 80.043 4.653 -2.753 1.00 0.00 H new ATOM 0 HA GLN A 27 78.590 2.252 -3.398 1.00 0.00 H new ATOM 0 HB2 GLN A 27 80.329 1.182 -1.945 1.00 0.00 H new ATOM 0 HB3 GLN A 27 81.014 2.226 -3.175 1.00 0.00 H new ATOM 0 HG2 GLN A 27 81.277 4.064 -1.547 1.00 0.00 H new ATOM 0 HG3 GLN A 27 80.437 3.145 -0.314 1.00 0.00 H new ATOM 0 HE21 GLN A 27 81.628 1.582 0.899 1.00 0.00 H new ATOM 0 HE22 GLN A 27 83.335 1.239 0.598 1.00 0.00 H new ATOM 431 N VAL A 28 78.271 3.482 -0.358 1.00 0.00 N ATOM 432 CA VAL A 28 77.406 3.369 0.843 1.00 0.00 C ATOM 433 C VAL A 28 75.960 3.256 0.368 1.00 0.00 C ATOM 434 O VAL A 28 75.151 2.579 0.963 1.00 0.00 O ATOM 435 CB VAL A 28 77.576 4.612 1.720 1.00 0.00 C ATOM 436 CG1 VAL A 28 76.502 4.631 2.810 1.00 0.00 C ATOM 437 CG2 VAL A 28 78.960 4.587 2.372 1.00 0.00 C ATOM 0 H VAL A 28 78.944 4.248 -0.344 1.00 0.00 H new ATOM 0 HA VAL A 28 77.679 2.493 1.432 1.00 0.00 H new ATOM 0 HB VAL A 28 77.476 5.504 1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 28 76.629 5.518 3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 28 75.515 4.649 2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 28 76.596 3.739 3.429 1.00 0.00 H new ATOM 0 HG21 VAL A 28 79.084 5.471 2.997 1.00 0.00 H new ATOM 0 HG22 VAL A 28 79.057 3.692 2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 28 79.727 4.580 1.598 1.00 0.00 H new ATOM 447 N ALA A 29 75.631 3.902 -0.719 1.00 0.00 N ATOM 448 CA ALA A 29 74.244 3.804 -1.237 1.00 0.00 C ATOM 449 C ALA A 29 74.017 2.380 -1.730 1.00 0.00 C ATOM 450 O ALA A 29 72.995 1.776 -1.472 1.00 0.00 O ATOM 451 CB ALA A 29 74.047 4.791 -2.389 1.00 0.00 C ATOM 0 H ALA A 29 76.262 4.489 -1.265 1.00 0.00 H new ATOM 0 HA ALA A 29 73.532 4.046 -0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 29 73.027 4.713 -2.764 1.00 0.00 H new ATOM 0 HB2 ALA A 29 74.227 5.806 -2.034 1.00 0.00 H new ATOM 0 HB3 ALA A 29 74.747 4.558 -3.191 1.00 0.00 H new ATOM 457 N LEU A 30 74.973 1.827 -2.426 1.00 0.00 N ATOM 458 CA LEU A 30 74.818 0.437 -2.912 1.00 0.00 C ATOM 459 C LEU A 30 74.863 -0.507 -1.705 1.00 0.00 C ATOM 460 O LEU A 30 74.534 -1.673 -1.801 1.00 0.00 O ATOM 461 CB LEU A 30 75.945 0.111 -3.907 1.00 0.00 C ATOM 462 CG LEU A 30 77.162 -0.476 -3.180 1.00 0.00 C ATOM 463 CD1 LEU A 30 77.091 -2.004 -3.218 1.00 0.00 C ATOM 464 CD2 LEU A 30 78.444 -0.012 -3.875 1.00 0.00 C ATOM 0 H LEU A 30 75.851 2.281 -2.676 1.00 0.00 H new ATOM 0 HA LEU A 30 73.865 0.315 -3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 30 75.584 -0.598 -4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 30 76.237 1.015 -4.442 1.00 0.00 H new ATOM 0 HG LEU A 30 77.164 -0.136 -2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 30 77.955 -2.421 -2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 30 76.178 -2.338 -2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 30 77.089 -2.342 -4.254 1.00 0.00 H new ATOM 0 HD21 LEU A 30 79.309 -0.429 -3.359 1.00 0.00 H new ATOM 0 HD22 LEU A 30 78.440 -0.353 -4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 30 78.497 1.076 -3.851 1.00 0.00 H new ATOM 476 N LEU A 31 75.270 -0.004 -0.568 1.00 0.00 N ATOM 477 CA LEU A 31 75.341 -0.857 0.643 1.00 0.00 C ATOM 478 C LEU A 31 73.911 -1.191 1.080 1.00 0.00 C ATOM 479 O LEU A 31 73.635 -2.253 1.598 1.00 0.00 O ATOM 480 CB LEU A 31 76.089 -0.097 1.758 1.00 0.00 C ATOM 481 CG LEU A 31 75.098 0.653 2.648 1.00 0.00 C ATOM 482 CD1 LEU A 31 74.541 -0.302 3.706 1.00 0.00 C ATOM 483 CD2 LEU A 31 75.800 1.820 3.340 1.00 0.00 C ATOM 0 H LEU A 31 75.556 0.965 -0.432 1.00 0.00 H new ATOM 0 HA LEU A 31 75.881 -1.781 0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 31 76.669 -0.798 2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 31 76.796 0.606 1.317 1.00 0.00 H new ATOM 0 HG LEU A 31 74.284 1.037 2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 31 73.834 0.231 4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 31 74.033 -1.132 3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 31 75.359 -0.686 4.316 1.00 0.00 H new ATOM 0 HD21 LEU A 31 75.088 2.350 3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 31 76.618 1.441 3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 31 76.196 2.503 2.589 1.00 0.00 H new ATOM 495 N THR A 32 73.006 -0.272 0.875 1.00 0.00 N ATOM 496 CA THR A 32 71.592 -0.497 1.274 1.00 0.00 C ATOM 497 C THR A 32 70.929 -1.454 0.274 1.00 0.00 C ATOM 498 O THR A 32 70.134 -2.294 0.640 1.00 0.00 O ATOM 499 CB THR A 32 70.872 0.869 1.319 1.00 0.00 C ATOM 500 OG1 THR A 32 70.302 1.052 2.607 1.00 0.00 O ATOM 501 CG2 THR A 32 69.762 0.958 0.262 1.00 0.00 C ATOM 0 H THR A 32 73.191 0.634 0.443 1.00 0.00 H new ATOM 0 HA THR A 32 71.533 -0.954 2.262 1.00 0.00 H new ATOM 0 HB THR A 32 71.606 1.647 1.108 1.00 0.00 H new ATOM 0 HG1 THR A 32 69.845 1.918 2.642 1.00 0.00 H new ATOM 0 HG21 THR A 32 69.278 1.933 0.324 1.00 0.00 H new ATOM 0 HG22 THR A 32 70.194 0.829 -0.731 1.00 0.00 H new ATOM 0 HG23 THR A 32 69.025 0.175 0.441 1.00 0.00 H new ATOM 509 N LEU A 33 71.248 -1.330 -0.984 1.00 0.00 N ATOM 510 CA LEU A 33 70.633 -2.230 -2.000 1.00 0.00 C ATOM 511 C LEU A 33 70.878 -3.688 -1.606 1.00 0.00 C ATOM 512 O LEU A 33 69.953 -4.442 -1.373 1.00 0.00 O ATOM 513 CB LEU A 33 71.258 -1.958 -3.370 1.00 0.00 C ATOM 514 CG LEU A 33 70.162 -1.937 -4.436 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.496 -0.879 -5.490 1.00 0.00 C ATOM 516 CD2 LEU A 33 70.077 -3.311 -5.105 1.00 0.00 C ATOM 0 H LEU A 33 71.908 -0.645 -1.353 1.00 0.00 H new ATOM 0 HA LEU A 33 69.560 -2.043 -2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 33 71.786 -1.005 -3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 33 71.994 -2.727 -3.605 1.00 0.00 H new ATOM 0 HG LEU A 33 69.206 -1.698 -3.970 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.715 -0.864 -6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 33 70.560 0.100 -5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 33 71.452 -1.119 -5.956 1.00 0.00 H new ATOM 0 HD21 LEU A 33 69.296 -3.298 -5.865 1.00 0.00 H new ATOM 0 HD22 LEU A 33 71.033 -3.549 -5.571 1.00 0.00 H new ATOM 0 HD23 LEU A 33 69.841 -4.067 -4.356 1.00 0.00 H new ATOM 528 N ARG A 34 72.116 -4.094 -1.535 1.00 0.00 N ATOM 529 CA ARG A 34 72.417 -5.505 -1.160 1.00 0.00 C ATOM 530 C ARG A 34 71.740 -5.838 0.172 1.00 0.00 C ATOM 531 O ARG A 34 71.562 -6.987 0.516 1.00 0.00 O ATOM 532 CB ARG A 34 73.930 -5.684 -1.023 1.00 0.00 C ATOM 533 CG ARG A 34 74.417 -6.713 -2.046 1.00 0.00 C ATOM 534 CD ARG A 34 74.580 -6.040 -3.410 1.00 0.00 C ATOM 535 NE ARG A 34 74.168 -6.988 -4.484 1.00 0.00 N ATOM 536 CZ ARG A 34 75.056 -7.760 -5.048 1.00 0.00 C ATOM 537 NH1 ARG A 34 76.030 -8.263 -4.340 1.00 0.00 N ATOM 538 NH2 ARG A 34 74.970 -8.031 -6.323 1.00 0.00 N ATOM 0 H ARG A 34 72.932 -3.510 -1.720 1.00 0.00 H new ATOM 0 HA ARG A 34 72.040 -6.174 -1.934 1.00 0.00 H new ATOM 0 HB2 ARG A 34 74.435 -4.731 -1.181 1.00 0.00 H new ATOM 0 HB3 ARG A 34 74.178 -6.013 -0.014 1.00 0.00 H new ATOM 0 HG2 ARG A 34 75.367 -7.140 -1.724 1.00 0.00 H new ATOM 0 HG3 ARG A 34 73.705 -7.535 -2.117 1.00 0.00 H new ATOM 0 HD2 ARG A 34 73.973 -5.136 -3.456 1.00 0.00 H new ATOM 0 HD3 ARG A 34 75.617 -5.736 -3.556 1.00 0.00 H new ATOM 0 HE ARG A 34 73.192 -7.033 -4.778 1.00 0.00 H new ATOM 0 HH11 ARG A 34 76.098 -8.053 -3.344 1.00 0.00 H new ATOM 0 HH12 ARG A 34 76.723 -8.866 -4.782 1.00 0.00 H new ATOM 0 HH21 ARG A 34 74.209 -7.639 -6.877 1.00 0.00 H new ATOM 0 HH22 ARG A 34 75.664 -8.634 -6.764 1.00 0.00 H new ATOM 552 N ILE A 35 71.363 -4.840 0.925 1.00 0.00 N ATOM 553 CA ILE A 35 70.703 -5.089 2.225 1.00 0.00 C ATOM 554 C ILE A 35 69.265 -5.553 1.972 1.00 0.00 C ATOM 555 O ILE A 35 68.826 -6.568 2.475 1.00 0.00 O ATOM 556 CB ILE A 35 70.728 -3.774 3.027 1.00 0.00 C ATOM 557 CG1 ILE A 35 71.682 -3.922 4.211 1.00 0.00 C ATOM 558 CG2 ILE A 35 69.336 -3.405 3.540 1.00 0.00 C ATOM 559 CD1 ILE A 35 73.000 -3.226 3.880 1.00 0.00 C ATOM 0 H ILE A 35 71.488 -3.856 0.687 1.00 0.00 H new ATOM 0 HA ILE A 35 71.217 -5.866 2.791 1.00 0.00 H new ATOM 0 HB ILE A 35 71.067 -2.978 2.365 1.00 0.00 H new ATOM 0 HG12 ILE A 35 71.240 -3.485 5.107 1.00 0.00 H new ATOM 0 HG13 ILE A 35 71.857 -4.977 4.424 1.00 0.00 H new ATOM 0 HG21 ILE A 35 69.391 -2.472 4.101 1.00 0.00 H new ATOM 0 HG22 ILE A 35 68.658 -3.281 2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 35 68.966 -4.198 4.189 1.00 0.00 H new ATOM 0 HD11 ILE A 35 73.686 -3.327 4.721 1.00 0.00 H new ATOM 0 HD12 ILE A 35 73.441 -3.684 2.994 1.00 0.00 H new ATOM 0 HD13 ILE A 35 72.815 -2.169 3.688 1.00 0.00 H new ATOM 571 N ASN A 36 68.536 -4.799 1.204 1.00 0.00 N ATOM 572 CA ASN A 36 67.120 -5.163 0.913 1.00 0.00 C ATOM 573 C ASN A 36 67.057 -6.532 0.228 1.00 0.00 C ATOM 574 O ASN A 36 66.218 -7.351 0.544 1.00 0.00 O ATOM 575 CB ASN A 36 66.502 -4.106 -0.004 1.00 0.00 C ATOM 576 CG ASN A 36 66.638 -2.727 0.642 1.00 0.00 C ATOM 577 OD1 ASN A 36 66.816 -2.618 1.839 1.00 0.00 O ATOM 578 ND2 ASN A 36 66.562 -1.659 -0.106 1.00 0.00 N ATOM 0 H ASN A 36 68.860 -3.939 0.761 1.00 0.00 H new ATOM 0 HA ASN A 36 66.565 -5.209 1.850 1.00 0.00 H new ATOM 0 HB2 ASN A 36 66.999 -4.115 -0.974 1.00 0.00 H new ATOM 0 HB3 ASN A 36 65.451 -4.334 -0.182 1.00 0.00 H new ATOM 0 HD21 ASN A 36 66.652 -0.734 0.315 1.00 0.00 H new ATOM 0 HD22 ASN A 36 66.413 -1.750 -1.111 1.00 0.00 H new ATOM 585 N ARG A 37 67.925 -6.787 -0.715 1.00 0.00 N ATOM 586 CA ARG A 37 67.888 -8.100 -1.415 1.00 0.00 C ATOM 587 C ARG A 37 68.650 -9.150 -0.612 1.00 0.00 C ATOM 588 O ARG A 37 68.896 -10.248 -1.069 1.00 0.00 O ATOM 589 CB ARG A 37 68.508 -7.965 -2.804 1.00 0.00 C ATOM 590 CG ARG A 37 67.446 -8.250 -3.868 1.00 0.00 C ATOM 591 CD ARG A 37 66.869 -9.650 -3.651 1.00 0.00 C ATOM 592 NE ARG A 37 66.822 -10.375 -4.952 1.00 0.00 N ATOM 593 CZ ARG A 37 66.046 -9.947 -5.910 1.00 0.00 C ATOM 594 NH1 ARG A 37 64.936 -9.325 -5.622 1.00 0.00 N ATOM 595 NH2 ARG A 37 66.382 -10.142 -7.156 1.00 0.00 N ATOM 0 H ARG A 37 68.654 -6.145 -1.028 1.00 0.00 H new ATOM 0 HA ARG A 37 66.849 -8.415 -1.512 1.00 0.00 H new ATOM 0 HB2 ARG A 37 68.911 -6.961 -2.938 1.00 0.00 H new ATOM 0 HB3 ARG A 37 69.341 -8.660 -2.911 1.00 0.00 H new ATOM 0 HG2 ARG A 37 66.652 -7.505 -3.813 1.00 0.00 H new ATOM 0 HG3 ARG A 37 67.884 -8.176 -4.863 1.00 0.00 H new ATOM 0 HD2 ARG A 37 67.482 -10.201 -2.937 1.00 0.00 H new ATOM 0 HD3 ARG A 37 65.868 -9.580 -3.225 1.00 0.00 H new ATOM 0 HE ARG A 37 67.396 -11.206 -5.094 1.00 0.00 H new ATOM 0 HH11 ARG A 37 64.674 -9.173 -4.648 1.00 0.00 H new ATOM 0 HH12 ARG A 37 64.330 -8.991 -6.371 1.00 0.00 H new ATOM 0 HH21 ARG A 37 67.250 -10.628 -7.380 1.00 0.00 H new ATOM 0 HH22 ARG A 37 65.776 -9.808 -7.906 1.00 0.00 H new ATOM 609 N LEU A 38 69.004 -8.816 0.582 1.00 0.00 N ATOM 610 CA LEU A 38 69.735 -9.774 1.450 1.00 0.00 C ATOM 611 C LEU A 38 68.726 -10.565 2.282 1.00 0.00 C ATOM 612 O LEU A 38 68.877 -11.750 2.504 1.00 0.00 O ATOM 613 CB LEU A 38 70.682 -9.011 2.380 1.00 0.00 C ATOM 614 CG LEU A 38 71.194 -9.951 3.470 1.00 0.00 C ATOM 615 CD1 LEU A 38 71.820 -11.189 2.825 1.00 0.00 C ATOM 616 CD2 LEU A 38 72.248 -9.228 4.312 1.00 0.00 C ATOM 0 H LEU A 38 68.818 -7.907 1.006 1.00 0.00 H new ATOM 0 HA LEU A 38 70.317 -10.457 0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 38 71.519 -8.606 1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 38 70.163 -8.164 2.830 1.00 0.00 H new ATOM 0 HG LEU A 38 70.363 -10.254 4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 38 72.185 -11.859 3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 38 71.071 -11.704 2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 38 72.651 -10.886 2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 38 72.614 -9.898 5.090 1.00 0.00 H new ATOM 0 HD22 LEU A 38 73.078 -8.925 3.674 1.00 0.00 H new ATOM 0 HD23 LEU A 38 71.803 -8.346 4.772 1.00 0.00 H new ATOM 628 N SER A 39 67.698 -9.909 2.747 1.00 0.00 N ATOM 629 CA SER A 39 66.671 -10.606 3.570 1.00 0.00 C ATOM 630 C SER A 39 66.048 -11.746 2.762 1.00 0.00 C ATOM 631 O SER A 39 65.378 -12.605 3.300 1.00 0.00 O ATOM 632 CB SER A 39 65.584 -9.608 3.971 1.00 0.00 C ATOM 633 OG SER A 39 64.507 -10.306 4.580 1.00 0.00 O ATOM 0 H SER A 39 67.525 -8.916 2.591 1.00 0.00 H new ATOM 0 HA SER A 39 67.139 -11.016 4.465 1.00 0.00 H new ATOM 0 HB2 SER A 39 65.990 -8.869 4.661 1.00 0.00 H new ATOM 0 HB3 SER A 39 65.231 -9.065 3.094 1.00 0.00 H new ATOM 0 HG SER A 39 63.809 -9.669 4.840 1.00 0.00 H new ATOM 639 N GLU A 40 66.260 -11.761 1.474 1.00 0.00 N ATOM 640 CA GLU A 40 65.678 -12.844 0.639 1.00 0.00 C ATOM 641 C GLU A 40 66.660 -14.004 0.546 1.00 0.00 C ATOM 642 O GLU A 40 66.591 -14.833 -0.340 1.00 0.00 O ATOM 643 CB GLU A 40 65.396 -12.311 -0.760 1.00 0.00 C ATOM 644 CG GLU A 40 63.886 -12.292 -1.008 1.00 0.00 C ATOM 645 CD GLU A 40 63.242 -11.194 -0.158 1.00 0.00 C ATOM 646 OE1 GLU A 40 63.287 -11.311 1.056 1.00 0.00 O ATOM 647 OE2 GLU A 40 62.717 -10.257 -0.734 1.00 0.00 O ATOM 0 H GLU A 40 66.811 -11.069 0.966 1.00 0.00 H new ATOM 0 HA GLU A 40 64.750 -13.189 1.094 1.00 0.00 H new ATOM 0 HB2 GLU A 40 65.805 -11.306 -0.866 1.00 0.00 H new ATOM 0 HB3 GLU A 40 65.889 -12.936 -1.504 1.00 0.00 H new ATOM 0 HG2 GLU A 40 63.683 -12.115 -2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 40 63.454 -13.261 -0.758 1.00 0.00 H new ATOM 654 N HIS A 41 67.568 -14.058 1.460 1.00 0.00 N ATOM 655 CA HIS A 41 68.575 -15.149 1.461 1.00 0.00 C ATOM 656 C HIS A 41 68.001 -16.373 2.175 1.00 0.00 C ATOM 657 O HIS A 41 67.685 -17.371 1.560 1.00 0.00 O ATOM 658 CB HIS A 41 69.838 -14.679 2.187 1.00 0.00 C ATOM 659 CG HIS A 41 71.042 -15.338 1.573 1.00 0.00 C ATOM 660 ND1 HIS A 41 71.182 -16.166 0.486 1.00 0.00 N flip ATOM 661 CD2 HIS A 41 72.318 -15.174 2.090 1.00 0.00 C flip ATOM 662 CE1 HIS A 41 72.522 -16.511 0.330 1.00 0.00 C flip ATOM 663 NE2 HIS A 41 73.162 -15.886 1.321 1.00 0.00 N flip ATOM 0 H HIS A 41 67.662 -13.385 2.221 1.00 0.00 H new ATOM 0 HA HIS A 41 68.825 -15.413 0.433 1.00 0.00 H new ATOM 0 HB2 HIS A 41 69.928 -13.595 2.118 1.00 0.00 H new ATOM 0 HB3 HIS A 41 69.775 -14.927 3.247 1.00 0.00 H new ATOM 0 HD2 HIS A 41 72.586 -14.582 2.953 1.00 0.00 H new ATOM 0 HE1 HIS A 41 72.951 -17.147 -0.430 1.00 0.00 H new ATOM 0 HE2 HIS A 41 74.169 -15.941 1.476 1.00 0.00 H new ATOM 671 N LEU A 42 67.868 -16.301 3.468 1.00 0.00 N ATOM 672 CA LEU A 42 67.322 -17.450 4.234 1.00 0.00 C ATOM 673 C LEU A 42 65.827 -17.607 3.937 1.00 0.00 C ATOM 674 O LEU A 42 65.190 -18.537 4.391 1.00 0.00 O ATOM 675 CB LEU A 42 67.516 -17.187 5.724 1.00 0.00 C ATOM 676 CG LEU A 42 68.994 -17.354 6.084 1.00 0.00 C ATOM 677 CD1 LEU A 42 69.628 -15.977 6.293 1.00 0.00 C ATOM 678 CD2 LEU A 42 69.115 -18.169 7.374 1.00 0.00 C ATOM 0 H LEU A 42 68.117 -15.488 4.031 1.00 0.00 H new ATOM 0 HA LEU A 42 67.842 -18.363 3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 42 67.182 -16.180 5.973 1.00 0.00 H new ATOM 0 HB3 LEU A 42 66.908 -17.878 6.308 1.00 0.00 H new ATOM 0 HG LEU A 42 69.508 -17.872 5.275 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.681 -16.096 6.549 1.00 0.00 H new ATOM 0 HD12 LEU A 42 69.542 -15.394 5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 42 69.114 -15.459 7.102 1.00 0.00 H new ATOM 0 HD21 LEU A 42 70.167 -18.289 7.631 1.00 0.00 H new ATOM 0 HD22 LEU A 42 68.601 -17.649 8.182 1.00 0.00 H new ATOM 0 HD23 LEU A 42 68.663 -19.150 7.228 1.00 0.00 H new ATOM 690 N LYS A 43 65.260 -16.706 3.176 1.00 0.00 N ATOM 691 CA LYS A 43 63.809 -16.806 2.849 1.00 0.00 C ATOM 692 C LYS A 43 63.613 -17.698 1.625 1.00 0.00 C ATOM 693 O LYS A 43 62.593 -17.669 0.965 1.00 0.00 O ATOM 694 CB LYS A 43 63.256 -15.417 2.556 1.00 0.00 C ATOM 695 CG LYS A 43 62.400 -14.945 3.734 1.00 0.00 C ATOM 696 CD LYS A 43 61.236 -14.100 3.213 1.00 0.00 C ATOM 697 CE LYS A 43 60.141 -14.027 4.280 1.00 0.00 C ATOM 698 NZ LYS A 43 59.036 -14.961 3.922 1.00 0.00 N ATOM 0 H LYS A 43 65.741 -15.905 2.767 1.00 0.00 H new ATOM 0 HA LYS A 43 63.280 -17.239 3.698 1.00 0.00 H new ATOM 0 HB2 LYS A 43 64.074 -14.718 2.385 1.00 0.00 H new ATOM 0 HB3 LYS A 43 62.658 -15.437 1.645 1.00 0.00 H new ATOM 0 HG2 LYS A 43 62.021 -15.803 4.288 1.00 0.00 H new ATOM 0 HG3 LYS A 43 63.006 -14.361 4.427 1.00 0.00 H new ATOM 0 HD2 LYS A 43 61.583 -13.097 2.964 1.00 0.00 H new ATOM 0 HD3 LYS A 43 60.838 -14.536 2.297 1.00 0.00 H new ATOM 0 HE2 LYS A 43 60.551 -14.288 5.256 1.00 0.00 H new ATOM 0 HE3 LYS A 43 59.760 -13.009 4.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 58.292 -14.912 4.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 58.639 -14.692 2.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 59.405 -15.932 3.870 1.00 0.00 H new ATOM 712 N VAL A 44 64.590 -18.487 1.340 1.00 0.00 N ATOM 713 CA VAL A 44 64.530 -19.411 0.181 1.00 0.00 C ATOM 714 C VAL A 44 65.552 -20.525 0.411 1.00 0.00 C ATOM 715 O VAL A 44 65.311 -21.681 0.121 1.00 0.00 O ATOM 716 CB VAL A 44 64.873 -18.643 -1.095 1.00 0.00 C ATOM 717 CG1 VAL A 44 65.207 -19.627 -2.218 1.00 0.00 C ATOM 718 CG2 VAL A 44 63.675 -17.785 -1.510 1.00 0.00 C ATOM 0 H VAL A 44 65.457 -18.536 1.875 1.00 0.00 H new ATOM 0 HA VAL A 44 63.531 -19.836 0.077 1.00 0.00 H new ATOM 0 HB VAL A 44 65.736 -18.003 -0.909 1.00 0.00 H new ATOM 0 HG11 VAL A 44 65.451 -19.074 -3.125 1.00 0.00 H new ATOM 0 HG12 VAL A 44 66.061 -20.238 -1.925 1.00 0.00 H new ATOM 0 HG13 VAL A 44 64.348 -20.271 -2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 44 63.918 -17.237 -2.420 1.00 0.00 H new ATOM 0 HG22 VAL A 44 62.813 -18.427 -1.693 1.00 0.00 H new ATOM 0 HG23 VAL A 44 63.439 -17.080 -0.713 1.00 0.00 H new ATOM 728 N HIS A 45 66.690 -20.175 0.944 1.00 0.00 N ATOM 729 CA HIS A 45 67.746 -21.182 1.222 1.00 0.00 C ATOM 730 C HIS A 45 67.165 -22.313 2.077 1.00 0.00 C ATOM 731 O HIS A 45 65.966 -22.439 2.223 1.00 0.00 O ATOM 732 CB HIS A 45 68.886 -20.497 1.981 1.00 0.00 C ATOM 733 CG HIS A 45 69.899 -19.974 1.001 1.00 0.00 C ATOM 734 ND1 HIS A 45 71.077 -20.648 0.724 1.00 0.00 N ATOM 735 CD2 HIS A 45 69.923 -18.842 0.225 1.00 0.00 C ATOM 736 CE1 HIS A 45 71.756 -19.924 -0.185 1.00 0.00 C ATOM 737 NE2 HIS A 45 71.097 -18.812 -0.523 1.00 0.00 N ATOM 0 H HIS A 45 66.934 -19.219 1.202 1.00 0.00 H new ATOM 0 HA HIS A 45 68.119 -21.600 0.287 1.00 0.00 H new ATOM 0 HB2 HIS A 45 68.494 -19.679 2.586 1.00 0.00 H new ATOM 0 HB3 HIS A 45 69.357 -21.203 2.665 1.00 0.00 H new ATOM 0 HD2 HIS A 45 69.149 -18.089 0.199 1.00 0.00 H new ATOM 0 HE1 HIS A 45 72.716 -20.207 -0.591 1.00 0.00 H new ATOM 0 HE2 HIS A 45 71.391 -18.095 -1.186 1.00 0.00 H new ATOM 745 N LYS A 46 68.005 -23.133 2.645 1.00 0.00 N ATOM 746 CA LYS A 46 67.501 -24.250 3.489 1.00 0.00 C ATOM 747 C LYS A 46 68.682 -24.978 4.130 1.00 0.00 C ATOM 748 O LYS A 46 69.125 -26.005 3.655 1.00 0.00 O ATOM 749 CB LYS A 46 66.710 -25.228 2.619 1.00 0.00 C ATOM 750 CG LYS A 46 67.519 -25.563 1.364 1.00 0.00 C ATOM 751 CD LYS A 46 67.726 -27.076 1.279 1.00 0.00 C ATOM 752 CE LYS A 46 66.621 -27.694 0.420 1.00 0.00 C ATOM 753 NZ LYS A 46 66.997 -27.595 -1.020 1.00 0.00 N ATOM 0 H LYS A 46 69.020 -23.077 2.560 1.00 0.00 H new ATOM 0 HA LYS A 46 66.853 -23.852 4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 46 66.495 -26.138 3.179 1.00 0.00 H new ATOM 0 HB3 LYS A 46 65.751 -24.790 2.341 1.00 0.00 H new ATOM 0 HG2 LYS A 46 66.997 -25.206 0.476 1.00 0.00 H new ATOM 0 HG3 LYS A 46 68.483 -25.054 1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 46 68.703 -27.297 0.848 1.00 0.00 H new ATOM 0 HD3 LYS A 46 67.712 -27.512 2.278 1.00 0.00 H new ATOM 0 HE2 LYS A 46 66.471 -28.738 0.697 1.00 0.00 H new ATOM 0 HE3 LYS A 46 65.677 -27.179 0.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 66.246 -28.015 -1.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 67.119 -26.595 -1.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 67.888 -28.106 -1.182 1.00 0.00 H new ATOM 767 N LYS A 47 69.198 -24.456 5.209 1.00 0.00 N ATOM 768 CA LYS A 47 70.351 -25.119 5.881 1.00 0.00 C ATOM 769 C LYS A 47 71.507 -25.257 4.888 1.00 0.00 C ATOM 770 O LYS A 47 72.431 -26.019 5.098 1.00 0.00 O ATOM 771 CB LYS A 47 69.929 -26.506 6.367 1.00 0.00 C ATOM 772 CG LYS A 47 68.993 -26.365 7.569 1.00 0.00 C ATOM 773 CD LYS A 47 68.248 -27.682 7.795 1.00 0.00 C ATOM 774 CE LYS A 47 67.624 -27.683 9.192 1.00 0.00 C ATOM 775 NZ LYS A 47 66.168 -27.387 9.086 1.00 0.00 N ATOM 0 H LYS A 47 68.871 -23.599 5.654 1.00 0.00 H new ATOM 0 HA LYS A 47 70.671 -24.518 6.732 1.00 0.00 H new ATOM 0 HB2 LYS A 47 69.428 -27.047 5.564 1.00 0.00 H new ATOM 0 HB3 LYS A 47 70.808 -27.089 6.644 1.00 0.00 H new ATOM 0 HG2 LYS A 47 69.564 -26.101 8.459 1.00 0.00 H new ATOM 0 HG3 LYS A 47 68.281 -25.558 7.396 1.00 0.00 H new ATOM 0 HD2 LYS A 47 67.473 -27.808 7.039 1.00 0.00 H new ATOM 0 HD3 LYS A 47 68.934 -28.523 7.691 1.00 0.00 H new ATOM 0 HE2 LYS A 47 67.775 -28.651 9.669 1.00 0.00 H new ATOM 0 HE3 LYS A 47 68.112 -26.938 9.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 65.744 -27.388 10.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 66.035 -26.453 8.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 65.708 -28.113 8.501 1.00 0.00 H new ATOM 789 N ASP A 48 71.467 -24.526 3.808 1.00 0.00 N ATOM 790 CA ASP A 48 72.563 -24.617 2.804 1.00 0.00 C ATOM 791 C ASP A 48 73.915 -24.490 3.510 1.00 0.00 C ATOM 792 O ASP A 48 74.899 -25.070 3.098 1.00 0.00 O ATOM 793 CB ASP A 48 72.414 -23.489 1.781 1.00 0.00 C ATOM 794 CG ASP A 48 73.359 -23.736 0.604 1.00 0.00 C ATOM 795 OD1 ASP A 48 73.505 -24.885 0.219 1.00 0.00 O ATOM 796 OD2 ASP A 48 73.921 -22.774 0.108 1.00 0.00 O ATOM 0 H ASP A 48 70.721 -23.869 3.578 1.00 0.00 H new ATOM 0 HA ASP A 48 72.508 -25.579 2.294 1.00 0.00 H new ATOM 0 HB2 ASP A 48 71.384 -23.438 1.429 1.00 0.00 H new ATOM 0 HB3 ASP A 48 72.640 -22.530 2.247 1.00 0.00 H new ATOM 801 N HIS A 49 73.970 -23.733 4.573 1.00 0.00 N ATOM 802 CA HIS A 49 75.258 -23.569 5.303 1.00 0.00 C ATOM 803 C HIS A 49 76.217 -22.725 4.460 1.00 0.00 C ATOM 804 O HIS A 49 77.416 -22.747 4.657 1.00 0.00 O ATOM 805 CB HIS A 49 75.879 -24.944 5.557 1.00 0.00 C ATOM 806 CG HIS A 49 76.673 -24.908 6.833 1.00 0.00 C ATOM 807 ND1 HIS A 49 78.052 -24.771 6.842 1.00 0.00 N ATOM 808 CD2 HIS A 49 76.297 -24.988 8.151 1.00 0.00 C ATOM 809 CE1 HIS A 49 78.452 -24.773 8.127 1.00 0.00 C ATOM 810 NE2 HIS A 49 77.421 -24.902 8.966 1.00 0.00 N ATOM 0 H HIS A 49 73.179 -23.222 4.966 1.00 0.00 H new ATOM 0 HA HIS A 49 75.075 -23.071 6.255 1.00 0.00 H new ATOM 0 HB2 HIS A 49 75.098 -25.701 5.624 1.00 0.00 H new ATOM 0 HB3 HIS A 49 76.523 -25.224 4.723 1.00 0.00 H new ATOM 0 HD2 HIS A 49 75.282 -25.101 8.502 1.00 0.00 H new ATOM 0 HE1 HIS A 49 79.481 -24.681 8.441 1.00 0.00 H new ATOM 0 HE2 HIS A 49 77.451 -24.931 9.985 1.00 0.00 H new ATOM 818 N HIS A 50 75.698 -21.980 3.522 1.00 0.00 N ATOM 819 CA HIS A 50 76.580 -21.136 2.667 1.00 0.00 C ATOM 820 C HIS A 50 75.920 -19.784 2.443 1.00 0.00 C ATOM 821 O HIS A 50 76.209 -19.076 1.498 1.00 0.00 O ATOM 822 CB HIS A 50 76.788 -21.821 1.325 1.00 0.00 C ATOM 823 CG HIS A 50 78.208 -22.307 1.220 1.00 0.00 C ATOM 824 ND1 HIS A 50 79.079 -21.840 0.249 1.00 0.00 N ATOM 825 CD2 HIS A 50 78.922 -23.220 1.957 1.00 0.00 C ATOM 826 CE1 HIS A 50 80.256 -22.467 0.425 1.00 0.00 C ATOM 827 NE2 HIS A 50 80.215 -23.319 1.454 1.00 0.00 N ATOM 0 H HIS A 50 74.702 -21.919 3.311 1.00 0.00 H new ATOM 0 HA HIS A 50 77.542 -20.998 3.160 1.00 0.00 H new ATOM 0 HB2 HIS A 50 76.098 -22.659 1.222 1.00 0.00 H new ATOM 0 HB3 HIS A 50 76.570 -21.127 0.513 1.00 0.00 H new ATOM 0 HD2 HIS A 50 78.538 -23.776 2.799 1.00 0.00 H new ATOM 0 HE1 HIS A 50 81.128 -22.302 -0.190 1.00 0.00 H new ATOM 0 HE2 HIS A 50 80.969 -23.914 1.797 1.00 0.00 H new ATOM 835 N SER A 51 75.034 -19.432 3.312 1.00 0.00 N ATOM 836 CA SER A 51 74.326 -18.133 3.188 1.00 0.00 C ATOM 837 C SER A 51 74.984 -17.102 4.106 1.00 0.00 C ATOM 838 O SER A 51 74.392 -16.641 5.062 1.00 0.00 O ATOM 839 CB SER A 51 72.861 -18.312 3.586 1.00 0.00 C ATOM 840 OG SER A 51 72.636 -19.666 3.956 1.00 0.00 O ATOM 0 H SER A 51 74.761 -19.994 4.118 1.00 0.00 H new ATOM 0 HA SER A 51 74.382 -17.786 2.156 1.00 0.00 H new ATOM 0 HB2 SER A 51 72.615 -17.650 4.416 1.00 0.00 H new ATOM 0 HB3 SER A 51 72.211 -18.037 2.756 1.00 0.00 H new ATOM 0 HG SER A 51 71.698 -19.783 4.213 1.00 0.00 H new ATOM 846 N HIS A 52 76.204 -16.732 3.825 1.00 0.00 N ATOM 847 CA HIS A 52 76.896 -15.731 4.682 1.00 0.00 C ATOM 848 C HIS A 52 78.356 -15.604 4.245 1.00 0.00 C ATOM 849 O HIS A 52 79.245 -15.446 5.057 1.00 0.00 O ATOM 850 CB HIS A 52 76.839 -16.183 6.143 1.00 0.00 C ATOM 851 CG HIS A 52 76.469 -15.015 7.016 1.00 0.00 C ATOM 852 ND1 HIS A 52 75.687 -15.160 8.152 1.00 0.00 N ATOM 853 CD2 HIS A 52 76.767 -13.678 6.934 1.00 0.00 C ATOM 854 CE1 HIS A 52 75.542 -13.940 8.702 1.00 0.00 C ATOM 855 NE2 HIS A 52 76.181 -13.001 7.999 1.00 0.00 N ATOM 0 H HIS A 52 76.751 -17.081 3.038 1.00 0.00 H new ATOM 0 HA HIS A 52 76.402 -14.765 4.580 1.00 0.00 H new ATOM 0 HB2 HIS A 52 76.108 -16.983 6.259 1.00 0.00 H new ATOM 0 HB3 HIS A 52 77.804 -16.587 6.448 1.00 0.00 H new ATOM 0 HD2 HIS A 52 77.366 -13.221 6.160 1.00 0.00 H new ATOM 0 HE1 HIS A 52 74.978 -13.744 9.602 1.00 0.00 H new ATOM 0 HE2 HIS A 52 76.229 -12.002 8.200 1.00 0.00 H new ATOM 863 N ARG A 53 78.611 -15.671 2.967 1.00 0.00 N ATOM 864 CA ARG A 53 80.015 -15.553 2.480 1.00 0.00 C ATOM 865 C ARG A 53 80.640 -14.271 3.033 1.00 0.00 C ATOM 866 O ARG A 53 81.797 -14.242 3.402 1.00 0.00 O ATOM 867 CB ARG A 53 80.023 -15.507 0.951 1.00 0.00 C ATOM 868 CG ARG A 53 81.464 -15.375 0.453 1.00 0.00 C ATOM 869 CD ARG A 53 82.153 -16.740 0.512 1.00 0.00 C ATOM 870 NE ARG A 53 83.630 -16.550 0.537 1.00 0.00 N ATOM 871 CZ ARG A 53 84.413 -17.551 0.837 1.00 0.00 C ATOM 872 NH1 ARG A 53 84.138 -18.311 1.862 1.00 0.00 N ATOM 873 NH2 ARG A 53 85.469 -17.793 0.111 1.00 0.00 N ATOM 0 H ARG A 53 77.908 -15.802 2.239 1.00 0.00 H new ATOM 0 HA ARG A 53 80.591 -16.414 2.820 1.00 0.00 H new ATOM 0 HB2 ARG A 53 79.568 -16.412 0.547 1.00 0.00 H new ATOM 0 HB3 ARG A 53 79.426 -14.666 0.599 1.00 0.00 H new ATOM 0 HG2 ARG A 53 81.473 -14.995 -0.569 1.00 0.00 H new ATOM 0 HG3 ARG A 53 82.007 -14.655 1.066 1.00 0.00 H new ATOM 0 HD2 ARG A 53 81.831 -17.284 1.400 1.00 0.00 H new ATOM 0 HD3 ARG A 53 81.867 -17.341 -0.351 1.00 0.00 H new ATOM 0 HE ARG A 53 84.030 -15.637 0.320 1.00 0.00 H new ATOM 0 HH11 ARG A 53 83.311 -18.123 2.429 1.00 0.00 H new ATOM 0 HH12 ARG A 53 84.750 -19.093 2.096 1.00 0.00 H new ATOM 0 HH21 ARG A 53 85.683 -17.200 -0.691 1.00 0.00 H new ATOM 0 HH22 ARG A 53 86.081 -18.575 0.345 1.00 0.00 H new ATOM 887 N GLY A 54 79.884 -13.209 3.091 1.00 0.00 N ATOM 888 CA GLY A 54 80.437 -11.929 3.619 1.00 0.00 C ATOM 889 C GLY A 54 79.361 -10.844 3.561 1.00 0.00 C ATOM 890 O GLY A 54 79.537 -9.816 2.938 1.00 0.00 O ATOM 0 H GLY A 54 78.908 -13.172 2.796 1.00 0.00 H new ATOM 0 HA2 GLY A 54 80.777 -12.064 4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 54 81.305 -11.627 3.033 1.00 0.00 H new ATOM 894 N LEU A 55 78.246 -11.061 4.207 1.00 0.00 N ATOM 895 CA LEU A 55 77.169 -10.040 4.184 1.00 0.00 C ATOM 896 C LEU A 55 77.354 -9.073 5.351 1.00 0.00 C ATOM 897 O LEU A 55 76.407 -8.523 5.878 1.00 0.00 O ATOM 898 CB LEU A 55 75.804 -10.724 4.291 1.00 0.00 C ATOM 899 CG LEU A 55 75.817 -12.017 3.475 1.00 0.00 C ATOM 900 CD1 LEU A 55 74.496 -12.762 3.677 1.00 0.00 C ATOM 901 CD2 LEU A 55 75.991 -11.680 1.993 1.00 0.00 C ATOM 0 H LEU A 55 78.039 -11.901 4.747 1.00 0.00 H new ATOM 0 HA LEU A 55 77.219 -9.487 3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 55 75.575 -10.942 5.334 1.00 0.00 H new ATOM 0 HB3 LEU A 55 75.022 -10.058 3.925 1.00 0.00 H new ATOM 0 HG LEU A 55 76.643 -12.648 3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 55 74.505 -13.684 3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 55 74.371 -13.001 4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 55 73.669 -12.133 3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 55 76.001 -12.600 1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 55 75.165 -11.050 1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 55 76.932 -11.149 1.849 1.00 0.00 H new ATOM 913 N LEU A 56 78.572 -8.864 5.752 1.00 0.00 N ATOM 914 CA LEU A 56 78.847 -7.942 6.873 1.00 0.00 C ATOM 915 C LEU A 56 79.416 -6.639 6.322 1.00 0.00 C ATOM 916 O LEU A 56 79.104 -5.559 6.786 1.00 0.00 O ATOM 917 CB LEU A 56 79.867 -8.592 7.803 1.00 0.00 C ATOM 918 CG LEU A 56 79.199 -9.731 8.572 1.00 0.00 C ATOM 919 CD1 LEU A 56 80.245 -10.464 9.413 1.00 0.00 C ATOM 920 CD2 LEU A 56 78.116 -9.159 9.490 1.00 0.00 C ATOM 0 H LEU A 56 79.398 -9.301 5.343 1.00 0.00 H new ATOM 0 HA LEU A 56 77.929 -7.732 7.421 1.00 0.00 H new ATOM 0 HB2 LEU A 56 80.710 -8.973 7.227 1.00 0.00 H new ATOM 0 HB3 LEU A 56 80.264 -7.853 8.499 1.00 0.00 H new ATOM 0 HG LEU A 56 78.748 -10.429 7.867 1.00 0.00 H new ATOM 0 HD11 LEU A 56 79.767 -11.276 9.961 1.00 0.00 H new ATOM 0 HD12 LEU A 56 81.017 -10.872 8.760 1.00 0.00 H new ATOM 0 HD13 LEU A 56 80.698 -9.767 10.119 1.00 0.00 H new ATOM 0 HD21 LEU A 56 77.639 -9.971 10.039 1.00 0.00 H new ATOM 0 HD22 LEU A 56 78.568 -8.461 10.194 1.00 0.00 H new ATOM 0 HD23 LEU A 56 77.369 -8.638 8.891 1.00 0.00 H new ATOM 932 N MET A 57 80.250 -6.740 5.333 1.00 0.00 N ATOM 933 CA MET A 57 80.857 -5.523 4.727 1.00 0.00 C ATOM 934 C MET A 57 79.753 -4.522 4.375 1.00 0.00 C ATOM 935 O MET A 57 79.920 -3.327 4.513 1.00 0.00 O ATOM 936 CB MET A 57 81.617 -5.916 3.459 1.00 0.00 C ATOM 937 CG MET A 57 82.342 -4.692 2.897 1.00 0.00 C ATOM 938 SD MET A 57 83.478 -5.212 1.588 1.00 0.00 S ATOM 939 CE MET A 57 83.800 -3.569 0.901 1.00 0.00 C ATOM 0 H MET A 57 80.542 -7.622 4.912 1.00 0.00 H new ATOM 0 HA MET A 57 81.545 -5.065 5.437 1.00 0.00 H new ATOM 0 HB2 MET A 57 82.334 -6.706 3.683 1.00 0.00 H new ATOM 0 HB3 MET A 57 80.925 -6.314 2.717 1.00 0.00 H new ATOM 0 HG2 MET A 57 81.619 -3.977 2.503 1.00 0.00 H new ATOM 0 HG3 MET A 57 82.892 -4.186 3.690 1.00 0.00 H new ATOM 0 HE1 MET A 57 84.492 -3.654 0.063 1.00 0.00 H new ATOM 0 HE2 MET A 57 82.864 -3.129 0.556 1.00 0.00 H new ATOM 0 HE3 MET A 57 84.238 -2.933 1.670 1.00 0.00 H new ATOM 949 N MET A 58 78.628 -5.002 3.920 1.00 0.00 N ATOM 950 CA MET A 58 77.519 -4.078 3.560 1.00 0.00 C ATOM 951 C MET A 58 77.028 -3.362 4.818 1.00 0.00 C ATOM 952 O MET A 58 77.013 -2.149 4.888 1.00 0.00 O ATOM 953 CB MET A 58 76.367 -4.879 2.946 1.00 0.00 C ATOM 954 CG MET A 58 76.833 -5.521 1.638 1.00 0.00 C ATOM 955 SD MET A 58 76.496 -7.299 1.686 1.00 0.00 S ATOM 956 CE MET A 58 74.798 -7.191 2.303 1.00 0.00 C ATOM 0 H MET A 58 78.430 -5.993 3.783 1.00 0.00 H new ATOM 0 HA MET A 58 77.876 -3.343 2.838 1.00 0.00 H new ATOM 0 HB2 MET A 58 76.033 -5.648 3.642 1.00 0.00 H new ATOM 0 HB3 MET A 58 75.515 -4.226 2.760 1.00 0.00 H new ATOM 0 HG2 MET A 58 76.318 -5.065 0.793 1.00 0.00 H new ATOM 0 HG3 MET A 58 77.899 -5.346 1.494 1.00 0.00 H new ATOM 0 HE1 MET A 58 74.178 -7.929 1.793 1.00 0.00 H new ATOM 0 HE2 MET A 58 74.787 -7.387 3.375 1.00 0.00 H new ATOM 0 HE3 MET A 58 74.404 -6.193 2.112 1.00 0.00 H new ATOM 966 N VAL A 59 76.630 -4.104 5.815 1.00 0.00 N ATOM 967 CA VAL A 59 76.142 -3.468 7.068 1.00 0.00 C ATOM 968 C VAL A 59 77.288 -2.702 7.730 1.00 0.00 C ATOM 969 O VAL A 59 77.086 -1.935 8.651 1.00 0.00 O ATOM 970 CB VAL A 59 75.632 -4.549 8.024 1.00 0.00 C ATOM 971 CG1 VAL A 59 74.895 -3.891 9.192 1.00 0.00 C ATOM 972 CG2 VAL A 59 74.675 -5.480 7.277 1.00 0.00 C ATOM 0 H VAL A 59 76.622 -5.124 5.814 1.00 0.00 H new ATOM 0 HA VAL A 59 75.331 -2.778 6.834 1.00 0.00 H new ATOM 0 HB VAL A 59 76.476 -5.124 8.405 1.00 0.00 H new ATOM 0 HG11 VAL A 59 74.532 -4.661 9.873 1.00 0.00 H new ATOM 0 HG12 VAL A 59 75.576 -3.227 9.725 1.00 0.00 H new ATOM 0 HG13 VAL A 59 74.051 -3.315 8.812 1.00 0.00 H new ATOM 0 HG21 VAL A 59 74.311 -6.250 7.957 1.00 0.00 H new ATOM 0 HG22 VAL A 59 73.831 -4.905 6.896 1.00 0.00 H new ATOM 0 HG23 VAL A 59 75.200 -5.949 6.445 1.00 0.00 H new ATOM 982 N GLY A 60 78.492 -2.903 7.268 1.00 0.00 N ATOM 983 CA GLY A 60 79.651 -2.186 7.870 1.00 0.00 C ATOM 984 C GLY A 60 79.821 -0.826 7.191 1.00 0.00 C ATOM 985 O GLY A 60 80.863 -0.206 7.276 1.00 0.00 O ATOM 0 H GLY A 60 78.723 -3.533 6.500 1.00 0.00 H new ATOM 0 HA2 GLY A 60 79.493 -2.052 8.940 1.00 0.00 H new ATOM 0 HA3 GLY A 60 80.559 -2.778 7.753 1.00 0.00 H new ATOM 989 N GLN A 61 78.806 -0.355 6.519 1.00 0.00 N ATOM 990 CA GLN A 61 78.909 0.960 5.841 1.00 0.00 C ATOM 991 C GLN A 61 77.698 1.811 6.195 1.00 0.00 C ATOM 992 O GLN A 61 77.343 2.746 5.505 1.00 0.00 O ATOM 993 CB GLN A 61 78.958 0.753 4.334 1.00 0.00 C ATOM 994 CG GLN A 61 80.380 0.998 3.825 1.00 0.00 C ATOM 995 CD GLN A 61 80.983 -0.320 3.336 1.00 0.00 C ATOM 996 OE1 GLN A 61 80.266 -1.248 3.016 1.00 0.00 O ATOM 997 NE2 GLN A 61 82.280 -0.443 3.264 1.00 0.00 N ATOM 0 H GLN A 61 77.909 -0.829 6.412 1.00 0.00 H new ATOM 0 HA GLN A 61 79.817 1.465 6.169 1.00 0.00 H new ATOM 0 HB2 GLN A 61 78.642 -0.260 4.086 1.00 0.00 H new ATOM 0 HB3 GLN A 61 78.263 1.433 3.841 1.00 0.00 H new ATOM 0 HG2 GLN A 61 80.367 1.727 3.014 1.00 0.00 H new ATOM 0 HG3 GLN A 61 80.995 1.418 4.621 1.00 0.00 H new ATOM 0 HE21 GLN A 61 82.882 0.336 3.532 1.00 0.00 H new ATOM 0 HE22 GLN A 61 82.692 -1.318 2.939 1.00 0.00 H new ATOM 1006 N ARG A 62 77.072 1.484 7.275 1.00 0.00 N ATOM 1007 CA ARG A 62 75.874 2.250 7.724 1.00 0.00 C ATOM 1008 C ARG A 62 75.678 2.039 9.222 1.00 0.00 C ATOM 1009 O ARG A 62 75.354 2.952 9.956 1.00 0.00 O ATOM 1010 CB ARG A 62 74.636 1.762 6.970 1.00 0.00 C ATOM 1011 CG ARG A 62 73.464 2.707 7.247 1.00 0.00 C ATOM 1012 CD ARG A 62 72.383 2.506 6.182 1.00 0.00 C ATOM 1013 NE ARG A 62 71.647 1.240 6.455 1.00 0.00 N ATOM 1014 CZ ARG A 62 70.343 1.221 6.415 1.00 0.00 C ATOM 1015 NH1 ARG A 62 69.710 1.886 5.488 1.00 0.00 N ATOM 1016 NH2 ARG A 62 69.674 0.536 7.300 1.00 0.00 N ATOM 0 H ARG A 62 77.336 0.708 7.882 1.00 0.00 H new ATOM 0 HA ARG A 62 76.021 3.310 7.519 1.00 0.00 H new ATOM 0 HB2 ARG A 62 74.841 1.723 5.900 1.00 0.00 H new ATOM 0 HB3 ARG A 62 74.382 0.749 7.283 1.00 0.00 H new ATOM 0 HG2 ARG A 62 73.053 2.514 8.238 1.00 0.00 H new ATOM 0 HG3 ARG A 62 73.808 3.741 7.241 1.00 0.00 H new ATOM 0 HD2 ARG A 62 71.692 3.349 6.186 1.00 0.00 H new ATOM 0 HD3 ARG A 62 72.836 2.470 5.191 1.00 0.00 H new ATOM 0 HE ARG A 62 72.163 0.388 6.673 1.00 0.00 H new ATOM 0 HH11 ARG A 62 70.235 2.420 4.795 1.00 0.00 H new ATOM 0 HH12 ARG A 62 68.691 1.872 5.456 1.00 0.00 H new ATOM 0 HH21 ARG A 62 70.170 0.015 8.023 1.00 0.00 H new ATOM 0 HH22 ARG A 62 68.655 0.521 7.269 1.00 0.00 H new ATOM 1030 N ARG A 63 75.879 0.839 9.678 1.00 0.00 N ATOM 1031 CA ARG A 63 75.715 0.551 11.126 1.00 0.00 C ATOM 1032 C ARG A 63 76.859 1.203 11.905 1.00 0.00 C ATOM 1033 O ARG A 63 76.885 1.188 13.119 1.00 0.00 O ATOM 1034 CB ARG A 63 75.740 -0.962 11.352 1.00 0.00 C ATOM 1035 CG ARG A 63 74.308 -1.485 11.479 1.00 0.00 C ATOM 1036 CD ARG A 63 73.796 -1.231 12.897 1.00 0.00 C ATOM 1037 NE ARG A 63 72.945 -2.376 13.331 1.00 0.00 N ATOM 1038 CZ ARG A 63 72.774 -2.616 14.601 1.00 0.00 C ATOM 1039 NH1 ARG A 63 73.729 -3.170 15.297 1.00 0.00 N ATOM 1040 NH2 ARG A 63 71.646 -2.303 15.178 1.00 0.00 N ATOM 0 H ARG A 63 76.152 0.039 9.106 1.00 0.00 H new ATOM 0 HA ARG A 63 74.763 0.953 11.472 1.00 0.00 H new ATOM 0 HB2 ARG A 63 76.246 -1.456 10.522 1.00 0.00 H new ATOM 0 HB3 ARG A 63 76.305 -1.196 12.254 1.00 0.00 H new ATOM 0 HG2 ARG A 63 73.663 -0.989 10.754 1.00 0.00 H new ATOM 0 HG3 ARG A 63 74.278 -2.551 11.256 1.00 0.00 H new ATOM 0 HD2 ARG A 63 74.635 -1.108 13.582 1.00 0.00 H new ATOM 0 HD3 ARG A 63 73.222 -0.305 12.927 1.00 0.00 H new ATOM 0 HE ARG A 63 72.497 -2.971 12.634 1.00 0.00 H new ATOM 0 HH11 ARG A 63 74.611 -3.416 14.847 1.00 0.00 H new ATOM 0 HH12 ARG A 63 73.593 -3.357 16.291 1.00 0.00 H new ATOM 0 HH21 ARG A 63 70.898 -1.871 14.635 1.00 0.00 H new ATOM 0 HH22 ARG A 63 71.512 -2.491 16.172 1.00 0.00 H new ATOM 1054 N ARG A 64 77.806 1.779 11.213 1.00 0.00 N ATOM 1055 CA ARG A 64 78.946 2.432 11.908 1.00 0.00 C ATOM 1056 C ARG A 64 79.768 3.231 10.894 1.00 0.00 C ATOM 1057 O ARG A 64 80.965 3.382 11.032 1.00 0.00 O ATOM 1058 CB ARG A 64 79.831 1.365 12.556 1.00 0.00 C ATOM 1059 CG ARG A 64 80.019 1.687 14.039 1.00 0.00 C ATOM 1060 CD ARG A 64 80.720 0.517 14.732 1.00 0.00 C ATOM 1061 NE ARG A 64 80.266 0.433 16.148 1.00 0.00 N ATOM 1062 CZ ARG A 64 81.099 0.056 17.079 1.00 0.00 C ATOM 1063 NH1 ARG A 64 81.343 -1.213 17.261 1.00 0.00 N ATOM 1064 NH2 ARG A 64 81.689 0.947 17.827 1.00 0.00 N ATOM 0 H ARG A 64 77.836 1.824 10.194 1.00 0.00 H new ATOM 0 HA ARG A 64 78.566 3.102 12.679 1.00 0.00 H new ATOM 0 HB2 ARG A 64 79.375 0.381 12.442 1.00 0.00 H new ATOM 0 HB3 ARG A 64 80.799 1.328 12.056 1.00 0.00 H new ATOM 0 HG2 ARG A 64 80.609 2.597 14.152 1.00 0.00 H new ATOM 0 HG3 ARG A 64 79.052 1.874 14.507 1.00 0.00 H new ATOM 0 HD2 ARG A 64 80.496 -0.414 14.212 1.00 0.00 H new ATOM 0 HD3 ARG A 64 81.801 0.652 14.693 1.00 0.00 H new ATOM 0 HE ARG A 64 79.304 0.670 16.390 1.00 0.00 H new ATOM 0 HH11 ARG A 64 80.883 -1.910 16.676 1.00 0.00 H new ATOM 0 HH12 ARG A 64 81.994 -1.508 17.989 1.00 0.00 H new ATOM 0 HH21 ARG A 64 81.499 1.939 17.684 1.00 0.00 H new ATOM 0 HH22 ARG A 64 82.340 0.652 18.555 1.00 0.00 H new ATOM 1078 N LEU A 65 79.134 3.743 9.873 1.00 0.00 N ATOM 1079 CA LEU A 65 79.879 4.530 8.853 1.00 0.00 C ATOM 1080 C LEU A 65 80.487 5.768 9.511 1.00 0.00 C ATOM 1081 O LEU A 65 81.402 6.375 8.992 1.00 0.00 O ATOM 1082 CB LEU A 65 78.923 4.959 7.739 1.00 0.00 C ATOM 1083 CG LEU A 65 79.721 5.566 6.584 1.00 0.00 C ATOM 1084 CD1 LEU A 65 80.439 4.453 5.818 1.00 0.00 C ATOM 1085 CD2 LEU A 65 78.771 6.302 5.639 1.00 0.00 C ATOM 0 H LEU A 65 78.133 3.649 9.703 1.00 0.00 H new ATOM 0 HA LEU A 65 80.674 3.916 8.430 1.00 0.00 H new ATOM 0 HB2 LEU A 65 78.350 4.101 7.387 1.00 0.00 H new ATOM 0 HB3 LEU A 65 78.206 5.686 8.121 1.00 0.00 H new ATOM 0 HG LEU A 65 80.456 6.267 6.980 1.00 0.00 H new ATOM 0 HD11 LEU A 65 81.008 4.886 4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 65 81.117 3.927 6.490 1.00 0.00 H new ATOM 0 HD13 LEU A 65 79.705 3.752 5.422 1.00 0.00 H new ATOM 0 HD21 LEU A 65 79.340 6.735 4.816 1.00 0.00 H new ATOM 0 HD22 LEU A 65 78.036 5.601 5.243 1.00 0.00 H new ATOM 0 HD23 LEU A 65 78.259 7.096 6.183 1.00 0.00 H new ATOM 1097 N LEU A 66 79.983 6.146 10.651 1.00 0.00 N ATOM 1098 CA LEU A 66 80.523 7.344 11.354 1.00 0.00 C ATOM 1099 C LEU A 66 82.025 7.174 11.581 1.00 0.00 C ATOM 1100 O LEU A 66 82.754 8.129 11.753 1.00 0.00 O ATOM 1101 CB LEU A 66 79.828 7.488 12.706 1.00 0.00 C ATOM 1102 CG LEU A 66 79.744 6.119 13.384 1.00 0.00 C ATOM 1103 CD1 LEU A 66 80.562 6.138 14.676 1.00 0.00 C ATOM 1104 CD2 LEU A 66 78.283 5.804 13.711 1.00 0.00 C ATOM 0 H LEU A 66 79.216 5.675 11.130 1.00 0.00 H new ATOM 0 HA LEU A 66 80.345 8.231 10.746 1.00 0.00 H new ATOM 0 HB2 LEU A 66 80.378 8.185 13.338 1.00 0.00 H new ATOM 0 HB3 LEU A 66 78.828 7.901 12.571 1.00 0.00 H new ATOM 0 HG LEU A 66 80.141 5.356 12.714 1.00 0.00 H new ATOM 0 HD11 LEU A 66 80.502 5.163 15.159 1.00 0.00 H new ATOM 0 HD12 LEU A 66 81.603 6.365 14.444 1.00 0.00 H new ATOM 0 HD13 LEU A 66 80.165 6.900 15.347 1.00 0.00 H new ATOM 0 HD21 LEU A 66 78.220 4.829 14.194 1.00 0.00 H new ATOM 0 HD22 LEU A 66 77.887 6.567 14.381 1.00 0.00 H new ATOM 0 HD23 LEU A 66 77.699 5.791 12.791 1.00 0.00 H new ATOM 1116 N ARG A 67 82.489 5.962 11.590 1.00 0.00 N ATOM 1117 CA ARG A 67 83.936 5.715 11.812 1.00 0.00 C ATOM 1118 C ARG A 67 84.669 5.734 10.470 1.00 0.00 C ATOM 1119 O ARG A 67 85.705 5.120 10.309 1.00 0.00 O ATOM 1120 CB ARG A 67 84.125 4.350 12.478 1.00 0.00 C ATOM 1121 CG ARG A 67 85.559 4.230 12.996 1.00 0.00 C ATOM 1122 CD ARG A 67 86.047 2.791 12.819 1.00 0.00 C ATOM 1123 NE ARG A 67 87.437 2.801 12.282 1.00 0.00 N ATOM 1124 CZ ARG A 67 87.960 1.704 11.805 1.00 0.00 C ATOM 1125 NH1 ARG A 67 87.393 0.553 12.047 1.00 0.00 N ATOM 1126 NH2 ARG A 67 89.048 1.758 11.089 1.00 0.00 N ATOM 0 H ARG A 67 81.924 5.124 11.452 1.00 0.00 H new ATOM 0 HA ARG A 67 84.342 6.493 12.458 1.00 0.00 H new ATOM 0 HB2 ARG A 67 83.419 4.234 13.300 1.00 0.00 H new ATOM 0 HB3 ARG A 67 83.917 3.553 11.764 1.00 0.00 H new ATOM 0 HG2 ARG A 67 86.211 4.915 12.455 1.00 0.00 H new ATOM 0 HG3 ARG A 67 85.602 4.513 14.048 1.00 0.00 H new ATOM 0 HD2 ARG A 67 86.018 2.266 13.774 1.00 0.00 H new ATOM 0 HD3 ARG A 67 85.387 2.253 12.139 1.00 0.00 H new ATOM 0 HE ARG A 67 87.980 3.665 12.287 1.00 0.00 H new ATOM 0 HH11 ARG A 67 86.542 0.512 12.608 1.00 0.00 H new ATOM 0 HH12 ARG A 67 87.801 -0.305 11.675 1.00 0.00 H new ATOM 0 HH21 ARG A 67 89.491 2.657 10.901 1.00 0.00 H new ATOM 0 HH22 ARG A 67 89.456 0.901 10.716 1.00 0.00 H new ATOM 1140 N TYR A 68 84.141 6.435 9.505 1.00 0.00 N ATOM 1141 CA TYR A 68 84.810 6.490 8.178 1.00 0.00 C ATOM 1142 C TYR A 68 84.319 7.710 7.391 1.00 0.00 C ATOM 1143 O TYR A 68 85.068 8.630 7.128 1.00 0.00 O ATOM 1144 CB TYR A 68 84.490 5.214 7.395 1.00 0.00 C ATOM 1145 CG TYR A 68 85.363 5.144 6.166 1.00 0.00 C ATOM 1146 CD1 TYR A 68 86.740 5.373 6.270 1.00 0.00 C ATOM 1147 CD2 TYR A 68 84.796 4.848 4.920 1.00 0.00 C ATOM 1148 CE1 TYR A 68 87.549 5.306 5.130 1.00 0.00 C ATOM 1149 CE2 TYR A 68 85.605 4.782 3.780 1.00 0.00 C ATOM 1150 CZ TYR A 68 86.982 5.012 3.884 1.00 0.00 C ATOM 1151 OH TYR A 68 87.780 4.946 2.761 1.00 0.00 O ATOM 0 H TYR A 68 83.276 6.971 9.579 1.00 0.00 H new ATOM 0 HA TYR A 68 85.887 6.572 8.324 1.00 0.00 H new ATOM 0 HB2 TYR A 68 84.657 4.338 8.022 1.00 0.00 H new ATOM 0 HB3 TYR A 68 83.439 5.205 7.108 1.00 0.00 H new ATOM 0 HD1 TYR A 68 87.178 5.601 7.230 1.00 0.00 H new ATOM 0 HD2 TYR A 68 83.734 4.671 4.839 1.00 0.00 H new ATOM 0 HE1 TYR A 68 88.612 5.481 5.211 1.00 0.00 H new ATOM 0 HE2 TYR A 68 85.167 4.554 2.820 1.00 0.00 H new ATOM 0 HH TYR A 68 87.229 4.731 1.980 1.00 0.00 H new ATOM 1161 N LEU A 69 83.073 7.719 7.000 1.00 0.00 N ATOM 1162 CA LEU A 69 82.543 8.872 6.218 1.00 0.00 C ATOM 1163 C LEU A 69 82.536 10.137 7.081 1.00 0.00 C ATOM 1164 O LEU A 69 83.369 11.006 6.925 1.00 0.00 O ATOM 1165 CB LEU A 69 81.118 8.558 5.752 1.00 0.00 C ATOM 1166 CG LEU A 69 80.657 9.617 4.747 1.00 0.00 C ATOM 1167 CD1 LEU A 69 80.375 10.931 5.477 1.00 0.00 C ATOM 1168 CD2 LEU A 69 81.751 9.841 3.701 1.00 0.00 C ATOM 0 H LEU A 69 82.399 6.977 7.189 1.00 0.00 H new ATOM 0 HA LEU A 69 83.183 9.040 5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 69 81.085 7.570 5.294 1.00 0.00 H new ATOM 0 HB3 LEU A 69 80.442 8.536 6.607 1.00 0.00 H new ATOM 0 HG LEU A 69 79.747 9.274 4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 69 80.047 11.683 4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 69 79.593 10.774 6.220 1.00 0.00 H new ATOM 0 HD13 LEU A 69 81.283 11.274 5.972 1.00 0.00 H new ATOM 0 HD21 LEU A 69 81.422 10.595 2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 69 82.662 10.181 4.194 1.00 0.00 H new ATOM 0 HD23 LEU A 69 81.950 8.906 3.177 1.00 0.00 H new ATOM 1180 N GLN A 70 81.601 10.254 7.984 1.00 0.00 N ATOM 1181 CA GLN A 70 81.551 11.471 8.842 1.00 0.00 C ATOM 1182 C GLN A 70 82.963 11.794 9.339 1.00 0.00 C ATOM 1183 O GLN A 70 83.295 12.927 9.622 1.00 0.00 O ATOM 1184 CB GLN A 70 80.631 11.212 10.042 1.00 0.00 C ATOM 1185 CG GLN A 70 81.347 10.330 11.068 1.00 0.00 C ATOM 1186 CD GLN A 70 82.219 11.200 11.974 1.00 0.00 C ATOM 1187 OE1 GLN A 70 83.393 10.935 12.145 1.00 0.00 O ATOM 1188 NE2 GLN A 70 81.692 12.236 12.569 1.00 0.00 N ATOM 0 H GLN A 70 80.873 9.563 8.164 1.00 0.00 H new ATOM 0 HA GLN A 70 81.165 12.312 8.266 1.00 0.00 H new ATOM 0 HB2 GLN A 70 80.343 12.158 10.501 1.00 0.00 H new ATOM 0 HB3 GLN A 70 79.714 10.726 9.710 1.00 0.00 H new ATOM 0 HG2 GLN A 70 80.617 9.784 11.665 1.00 0.00 H new ATOM 0 HG3 GLN A 70 81.962 9.588 10.558 1.00 0.00 H new ATOM 0 HE21 GLN A 70 80.707 12.460 12.426 1.00 0.00 H new ATOM 0 HE22 GLN A 70 82.265 12.822 13.176 1.00 0.00 H new ATOM 1197 N ARG A 71 83.787 10.790 9.455 1.00 0.00 N ATOM 1198 CA ARG A 71 85.179 11.002 9.945 1.00 0.00 C ATOM 1199 C ARG A 71 85.980 11.816 8.926 1.00 0.00 C ATOM 1200 O ARG A 71 86.655 12.765 9.273 1.00 0.00 O ATOM 1201 CB ARG A 71 85.854 9.644 10.150 1.00 0.00 C ATOM 1202 CG ARG A 71 86.052 9.393 11.646 1.00 0.00 C ATOM 1203 CD ARG A 71 86.782 10.584 12.270 1.00 0.00 C ATOM 1204 NE ARG A 71 87.946 10.095 13.063 1.00 0.00 N ATOM 1205 CZ ARG A 71 89.047 10.792 13.103 1.00 0.00 C ATOM 1206 NH1 ARG A 71 89.030 12.013 13.565 1.00 0.00 N ATOM 1207 NH2 ARG A 71 90.168 10.270 12.683 1.00 0.00 N ATOM 0 H ARG A 71 83.554 9.823 9.229 1.00 0.00 H new ATOM 0 HA ARG A 71 85.145 11.548 10.888 1.00 0.00 H new ATOM 0 HB2 ARG A 71 85.243 8.853 9.716 1.00 0.00 H new ATOM 0 HB3 ARG A 71 86.815 9.623 9.637 1.00 0.00 H new ATOM 0 HG2 ARG A 71 85.087 9.249 12.132 1.00 0.00 H new ATOM 0 HG3 ARG A 71 86.626 8.479 11.800 1.00 0.00 H new ATOM 0 HD2 ARG A 71 87.121 11.266 11.490 1.00 0.00 H new ATOM 0 HD3 ARG A 71 86.102 11.146 12.911 1.00 0.00 H new ATOM 0 HE ARG A 71 87.881 9.215 13.574 1.00 0.00 H new ATOM 0 HH11 ARG A 71 88.155 12.421 13.895 1.00 0.00 H new ATOM 0 HH12 ARG A 71 89.891 12.558 13.596 1.00 0.00 H new ATOM 0 HH21 ARG A 71 90.183 9.316 12.323 1.00 0.00 H new ATOM 0 HH22 ARG A 71 91.029 10.817 12.715 1.00 0.00 H new ATOM 1221 N GLU A 72 85.919 11.451 7.673 1.00 0.00 N ATOM 1222 CA GLU A 72 86.684 12.202 6.642 1.00 0.00 C ATOM 1223 C GLU A 72 85.870 13.387 6.143 1.00 0.00 C ATOM 1224 O GLU A 72 86.150 13.971 5.114 1.00 0.00 O ATOM 1225 CB GLU A 72 87.000 11.280 5.474 1.00 0.00 C ATOM 1226 CG GLU A 72 88.058 10.265 5.901 1.00 0.00 C ATOM 1227 CD GLU A 72 88.847 9.800 4.675 1.00 0.00 C ATOM 1228 OE1 GLU A 72 89.247 10.649 3.896 1.00 0.00 O ATOM 1229 OE2 GLU A 72 89.036 8.603 4.536 1.00 0.00 O ATOM 0 H GLU A 72 85.372 10.665 7.321 1.00 0.00 H new ATOM 0 HA GLU A 72 87.610 12.568 7.085 1.00 0.00 H new ATOM 0 HB2 GLU A 72 86.096 10.765 5.148 1.00 0.00 H new ATOM 0 HB3 GLU A 72 87.359 11.861 4.625 1.00 0.00 H new ATOM 0 HG2 GLU A 72 88.732 10.712 6.632 1.00 0.00 H new ATOM 0 HG3 GLU A 72 87.583 9.412 6.386 1.00 0.00 H new ATOM 1236 N ASP A 73 84.871 13.738 6.872 1.00 0.00 N ATOM 1237 CA ASP A 73 84.008 14.885 6.481 1.00 0.00 C ATOM 1238 C ASP A 73 82.842 14.999 7.468 1.00 0.00 C ATOM 1239 O ASP A 73 81.934 14.192 7.441 1.00 0.00 O ATOM 1240 CB ASP A 73 83.458 14.648 5.073 1.00 0.00 C ATOM 1241 CG ASP A 73 84.119 15.623 4.096 1.00 0.00 C ATOM 1242 OD1 ASP A 73 84.508 16.694 4.531 1.00 0.00 O ATOM 1243 OD2 ASP A 73 84.224 15.283 2.929 1.00 0.00 O ATOM 0 H ASP A 73 84.602 13.277 7.741 1.00 0.00 H new ATOM 0 HA ASP A 73 84.592 15.805 6.495 1.00 0.00 H new ATOM 0 HB2 ASP A 73 83.650 13.621 4.764 1.00 0.00 H new ATOM 0 HB3 ASP A 73 82.377 14.786 5.065 1.00 0.00 H new ATOM 1248 N PRO A 74 82.895 16.001 8.311 1.00 0.00 N ATOM 1249 CA PRO A 74 81.844 16.238 9.313 1.00 0.00 C ATOM 1250 C PRO A 74 80.614 16.834 8.633 1.00 0.00 C ATOM 1251 O PRO A 74 79.493 16.615 9.046 1.00 0.00 O ATOM 1252 CB PRO A 74 82.486 17.230 10.287 1.00 0.00 C ATOM 1253 CG PRO A 74 83.627 17.925 9.508 1.00 0.00 C ATOM 1254 CD PRO A 74 83.995 16.987 8.341 1.00 0.00 C ATOM 0 HA PRO A 74 81.506 15.334 9.819 1.00 0.00 H new ATOM 0 HB2 PRO A 74 81.755 17.958 10.639 1.00 0.00 H new ATOM 0 HB3 PRO A 74 82.873 16.716 11.167 1.00 0.00 H new ATOM 0 HG2 PRO A 74 83.306 18.898 9.137 1.00 0.00 H new ATOM 0 HG3 PRO A 74 84.488 18.098 10.153 1.00 0.00 H new ATOM 0 HD2 PRO A 74 84.068 17.532 7.400 1.00 0.00 H new ATOM 0 HD3 PRO A 74 84.958 16.505 8.506 1.00 0.00 H new ATOM 1262 N GLU A 75 80.821 17.566 7.579 1.00 0.00 N ATOM 1263 CA GLU A 75 79.675 18.159 6.848 1.00 0.00 C ATOM 1264 C GLU A 75 78.979 17.042 6.075 1.00 0.00 C ATOM 1265 O GLU A 75 77.767 16.963 6.029 1.00 0.00 O ATOM 1266 CB GLU A 75 80.180 19.229 5.876 1.00 0.00 C ATOM 1267 CG GLU A 75 79.074 19.577 4.876 1.00 0.00 C ATOM 1268 CD GLU A 75 79.150 18.629 3.680 1.00 0.00 C ATOM 1269 OE1 GLU A 75 80.090 18.749 2.912 1.00 0.00 O ATOM 1270 OE2 GLU A 75 78.265 17.797 3.552 1.00 0.00 O ATOM 0 H GLU A 75 81.740 17.780 7.191 1.00 0.00 H new ATOM 0 HA GLU A 75 78.979 18.625 7.546 1.00 0.00 H new ATOM 0 HB2 GLU A 75 80.481 20.121 6.425 1.00 0.00 H new ATOM 0 HB3 GLU A 75 81.062 18.867 5.347 1.00 0.00 H new ATOM 0 HG2 GLU A 75 78.098 19.497 5.355 1.00 0.00 H new ATOM 0 HG3 GLU A 75 79.182 20.609 4.543 1.00 0.00 H new ATOM 1277 N ARG A 76 79.743 16.167 5.479 1.00 0.00 N ATOM 1278 CA ARG A 76 79.135 15.043 4.726 1.00 0.00 C ATOM 1279 C ARG A 76 78.354 14.168 5.703 1.00 0.00 C ATOM 1280 O ARG A 76 77.535 13.359 5.313 1.00 0.00 O ATOM 1281 CB ARG A 76 80.236 14.215 4.057 1.00 0.00 C ATOM 1282 CG ARG A 76 81.084 15.120 3.161 1.00 0.00 C ATOM 1283 CD ARG A 76 80.338 15.389 1.853 1.00 0.00 C ATOM 1284 NE ARG A 76 80.827 14.458 0.800 1.00 0.00 N ATOM 1285 CZ ARG A 76 82.033 14.593 0.316 1.00 0.00 C ATOM 1286 NH1 ARG A 76 82.349 15.666 -0.355 1.00 0.00 N ATOM 1287 NH2 ARG A 76 82.920 13.655 0.503 1.00 0.00 N ATOM 0 H ARG A 76 80.763 16.186 5.483 1.00 0.00 H new ATOM 0 HA ARG A 76 78.467 15.429 3.956 1.00 0.00 H new ATOM 0 HB2 ARG A 76 80.863 13.745 4.815 1.00 0.00 H new ATOM 0 HB3 ARG A 76 79.794 13.412 3.467 1.00 0.00 H new ATOM 0 HG2 ARG A 76 81.295 16.060 3.671 1.00 0.00 H new ATOM 0 HG3 ARG A 76 82.044 14.647 2.954 1.00 0.00 H new ATOM 0 HD2 ARG A 76 79.266 15.257 2.000 1.00 0.00 H new ATOM 0 HD3 ARG A 76 80.492 16.422 1.540 1.00 0.00 H new ATOM 0 HE ARG A 76 80.220 13.714 0.456 1.00 0.00 H new ATOM 0 HH11 ARG A 76 81.655 16.399 -0.501 1.00 0.00 H new ATOM 0 HH12 ARG A 76 83.290 15.772 -0.733 1.00 0.00 H new ATOM 0 HH21 ARG A 76 82.672 12.816 1.027 1.00 0.00 H new ATOM 0 HH22 ARG A 76 83.861 13.761 0.125 1.00 0.00 H new ATOM 1301 N TYR A 77 78.598 14.329 6.980 1.00 0.00 N ATOM 1302 CA TYR A 77 77.867 13.515 7.985 1.00 0.00 C ATOM 1303 C TYR A 77 76.554 14.204 8.349 1.00 0.00 C ATOM 1304 O TYR A 77 76.053 14.070 9.448 1.00 0.00 O ATOM 1305 CB TYR A 77 78.706 13.371 9.249 1.00 0.00 C ATOM 1306 CG TYR A 77 78.056 12.362 10.167 1.00 0.00 C ATOM 1307 CD1 TYR A 77 77.468 11.203 9.638 1.00 0.00 C ATOM 1308 CD2 TYR A 77 78.042 12.586 11.548 1.00 0.00 C ATOM 1309 CE1 TYR A 77 76.869 10.271 10.494 1.00 0.00 C ATOM 1310 CE2 TYR A 77 77.442 11.652 12.402 1.00 0.00 C ATOM 1311 CZ TYR A 77 76.856 10.495 11.876 1.00 0.00 C ATOM 1312 OH TYR A 77 76.267 9.576 12.719 1.00 0.00 O ATOM 0 H TYR A 77 79.273 14.990 7.365 1.00 0.00 H new ATOM 0 HA TYR A 77 77.668 12.531 7.559 1.00 0.00 H new ATOM 0 HB2 TYR A 77 79.716 13.050 8.994 1.00 0.00 H new ATOM 0 HB3 TYR A 77 78.795 14.334 9.752 1.00 0.00 H new ATOM 0 HD1 TYR A 77 77.477 11.030 8.572 1.00 0.00 H new ATOM 0 HD2 TYR A 77 78.494 13.479 11.955 1.00 0.00 H new ATOM 0 HE1 TYR A 77 76.417 9.378 10.088 1.00 0.00 H new ATOM 0 HE2 TYR A 77 77.432 11.825 13.468 1.00 0.00 H new ATOM 0 HH TYR A 77 76.347 9.884 13.646 1.00 0.00 H new ATOM 1322 N ARG A 78 76.003 14.944 7.440 1.00 0.00 N ATOM 1323 CA ARG A 78 74.734 15.658 7.723 1.00 0.00 C ATOM 1324 C ARG A 78 73.844 15.644 6.481 1.00 0.00 C ATOM 1325 O ARG A 78 72.858 16.349 6.405 1.00 0.00 O ATOM 1326 CB ARG A 78 75.041 17.109 8.114 1.00 0.00 C ATOM 1327 CG ARG A 78 76.390 17.176 8.834 1.00 0.00 C ATOM 1328 CD ARG A 78 76.274 16.504 10.202 1.00 0.00 C ATOM 1329 NE ARG A 78 76.207 17.547 11.264 1.00 0.00 N ATOM 1330 CZ ARG A 78 75.339 17.436 12.233 1.00 0.00 C ATOM 1331 NH1 ARG A 78 75.139 16.278 12.800 1.00 0.00 N ATOM 1332 NH2 ARG A 78 74.673 18.483 12.635 1.00 0.00 N ATOM 0 H ARG A 78 76.379 15.088 6.503 1.00 0.00 H new ATOM 0 HA ARG A 78 74.216 15.159 8.542 1.00 0.00 H new ATOM 0 HB2 ARG A 78 75.061 17.739 7.225 1.00 0.00 H new ATOM 0 HB3 ARG A 78 74.253 17.496 8.761 1.00 0.00 H new ATOM 0 HG2 ARG A 78 77.157 16.681 8.238 1.00 0.00 H new ATOM 0 HG3 ARG A 78 76.699 18.214 8.953 1.00 0.00 H new ATOM 0 HD2 ARG A 78 75.383 15.877 10.237 1.00 0.00 H new ATOM 0 HD3 ARG A 78 77.130 15.851 10.372 1.00 0.00 H new ATOM 0 HE ARG A 78 76.839 18.347 11.234 1.00 0.00 H new ATOM 0 HH11 ARG A 78 75.661 15.460 12.486 1.00 0.00 H new ATOM 0 HH12 ARG A 78 74.461 16.191 13.557 1.00 0.00 H new ATOM 0 HH21 ARG A 78 74.830 19.388 12.192 1.00 0.00 H new ATOM 0 HH22 ARG A 78 73.995 18.396 13.392 1.00 0.00 H new ATOM 1346 N ALA A 79 74.178 14.846 5.506 1.00 0.00 N ATOM 1347 CA ALA A 79 73.349 14.794 4.281 1.00 0.00 C ATOM 1348 C ALA A 79 73.150 13.345 3.859 1.00 0.00 C ATOM 1349 O ALA A 79 72.039 12.877 3.706 1.00 0.00 O ATOM 1350 CB ALA A 79 74.041 15.571 3.165 1.00 0.00 C ATOM 0 H ALA A 79 74.990 14.229 5.509 1.00 0.00 H new ATOM 0 HA ALA A 79 72.376 15.243 4.480 1.00 0.00 H new ATOM 0 HB1 ALA A 79 73.431 15.533 2.263 1.00 0.00 H new ATOM 0 HB2 ALA A 79 74.172 16.609 3.471 1.00 0.00 H new ATOM 0 HB3 ALA A 79 75.016 15.127 2.963 1.00 0.00 H new ATOM 1356 N LEU A 80 74.215 12.629 3.688 1.00 0.00 N ATOM 1357 CA LEU A 80 74.087 11.201 3.297 1.00 0.00 C ATOM 1358 C LEU A 80 73.459 10.432 4.458 1.00 0.00 C ATOM 1359 O LEU A 80 73.087 9.284 4.329 1.00 0.00 O ATOM 1360 CB LEU A 80 75.471 10.630 2.975 1.00 0.00 C ATOM 1361 CG LEU A 80 75.469 10.060 1.556 1.00 0.00 C ATOM 1362 CD1 LEU A 80 75.657 11.195 0.549 1.00 0.00 C ATOM 1363 CD2 LEU A 80 76.615 9.056 1.410 1.00 0.00 C ATOM 0 H LEU A 80 75.171 12.967 3.801 1.00 0.00 H new ATOM 0 HA LEU A 80 73.457 11.109 2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 80 76.228 11.409 3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 80 75.730 9.850 3.691 1.00 0.00 H new ATOM 0 HG LEU A 80 74.519 9.560 1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 80 75.656 10.788 -0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 80 74.843 11.912 0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 80 76.607 11.695 0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 80 76.615 8.649 0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 80 77.564 9.557 1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 80 76.483 8.246 2.128 1.00 0.00 H new ATOM 1375 N ILE A 81 73.311 11.069 5.585 1.00 0.00 N ATOM 1376 CA ILE A 81 72.680 10.393 6.737 1.00 0.00 C ATOM 1377 C ILE A 81 71.168 10.448 6.509 1.00 0.00 C ATOM 1378 O ILE A 81 70.420 9.567 6.879 1.00 0.00 O ATOM 1379 CB ILE A 81 73.098 11.095 8.053 1.00 0.00 C ATOM 1380 CG1 ILE A 81 71.958 11.950 8.613 1.00 0.00 C ATOM 1381 CG2 ILE A 81 74.314 11.977 7.824 1.00 0.00 C ATOM 1382 CD1 ILE A 81 71.035 11.060 9.439 1.00 0.00 C ATOM 0 H ILE A 81 73.603 12.032 5.753 1.00 0.00 H new ATOM 0 HA ILE A 81 72.999 9.354 6.824 1.00 0.00 H new ATOM 0 HB ILE A 81 73.342 10.315 8.775 1.00 0.00 H new ATOM 0 HG12 ILE A 81 72.358 12.755 9.230 1.00 0.00 H new ATOM 0 HG13 ILE A 81 71.403 12.418 7.800 1.00 0.00 H new ATOM 0 HG21 ILE A 81 74.593 12.462 8.759 1.00 0.00 H new ATOM 0 HG22 ILE A 81 75.145 11.367 7.470 1.00 0.00 H new ATOM 0 HG23 ILE A 81 74.078 12.736 7.078 1.00 0.00 H new ATOM 0 HD11 ILE A 81 70.219 11.658 9.843 1.00 0.00 H new ATOM 0 HD12 ILE A 81 70.628 10.271 8.806 1.00 0.00 H new ATOM 0 HD13 ILE A 81 71.598 10.613 10.259 1.00 0.00 H new ATOM 1394 N GLU A 82 70.715 11.485 5.877 1.00 0.00 N ATOM 1395 CA GLU A 82 69.265 11.602 5.608 1.00 0.00 C ATOM 1396 C GLU A 82 68.929 10.985 4.244 1.00 0.00 C ATOM 1397 O GLU A 82 67.775 10.869 3.883 1.00 0.00 O ATOM 1398 CB GLU A 82 68.858 13.077 5.616 1.00 0.00 C ATOM 1399 CG GLU A 82 67.352 13.193 5.375 1.00 0.00 C ATOM 1400 CD GLU A 82 66.700 13.914 6.556 1.00 0.00 C ATOM 1401 OE1 GLU A 82 66.916 15.107 6.689 1.00 0.00 O ATOM 1402 OE2 GLU A 82 65.994 13.261 7.306 1.00 0.00 O ATOM 0 H GLU A 82 71.287 12.257 5.535 1.00 0.00 H new ATOM 0 HA GLU A 82 68.717 11.068 6.384 1.00 0.00 H new ATOM 0 HB2 GLU A 82 69.120 13.532 6.571 1.00 0.00 H new ATOM 0 HB3 GLU A 82 69.403 13.620 4.844 1.00 0.00 H new ATOM 0 HG2 GLU A 82 67.162 13.740 4.452 1.00 0.00 H new ATOM 0 HG3 GLU A 82 66.915 12.202 5.254 1.00 0.00 H new ATOM 1409 N LYS A 83 69.913 10.590 3.473 1.00 0.00 N ATOM 1410 CA LYS A 83 69.605 9.998 2.145 1.00 0.00 C ATOM 1411 C LYS A 83 70.100 8.548 2.068 1.00 0.00 C ATOM 1412 O LYS A 83 70.475 8.076 1.014 1.00 0.00 O ATOM 1413 CB LYS A 83 70.285 10.824 1.050 1.00 0.00 C ATOM 1414 CG LYS A 83 69.882 12.292 1.191 1.00 0.00 C ATOM 1415 CD LYS A 83 68.424 12.464 0.760 1.00 0.00 C ATOM 1416 CE LYS A 83 68.235 13.851 0.141 1.00 0.00 C ATOM 1417 NZ LYS A 83 68.557 14.895 1.154 1.00 0.00 N ATOM 0 H LYS A 83 70.904 10.653 3.707 1.00 0.00 H new ATOM 0 HA LYS A 83 68.524 10.006 2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 83 71.368 10.725 1.125 1.00 0.00 H new ATOM 0 HB3 LYS A 83 69.998 10.450 0.067 1.00 0.00 H new ATOM 0 HG2 LYS A 83 70.008 12.617 2.224 1.00 0.00 H new ATOM 0 HG3 LYS A 83 70.530 12.919 0.578 1.00 0.00 H new ATOM 0 HD2 LYS A 83 68.153 11.692 0.039 1.00 0.00 H new ATOM 0 HD3 LYS A 83 67.763 12.344 1.619 1.00 0.00 H new ATOM 0 HE2 LYS A 83 68.880 13.963 -0.730 1.00 0.00 H new ATOM 0 HE3 LYS A 83 67.208 13.970 -0.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 68.208 15.818 0.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 68.101 14.655 2.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 69.587 14.942 1.289 1.00 0.00 H new ATOM 1431 N LEU A 84 70.110 7.834 3.164 1.00 0.00 N ATOM 1432 CA LEU A 84 70.590 6.426 3.116 1.00 0.00 C ATOM 1433 C LEU A 84 69.844 5.551 4.127 1.00 0.00 C ATOM 1434 O LEU A 84 69.082 4.676 3.765 1.00 0.00 O ATOM 1435 CB LEU A 84 72.083 6.394 3.441 1.00 0.00 C ATOM 1436 CG LEU A 84 72.818 7.373 2.532 1.00 0.00 C ATOM 1437 CD1 LEU A 84 74.283 7.461 2.964 1.00 0.00 C ATOM 1438 CD2 LEU A 84 72.746 6.883 1.084 1.00 0.00 C ATOM 0 H LEU A 84 69.809 8.164 4.081 1.00 0.00 H new ATOM 0 HA LEU A 84 70.405 6.035 2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 84 72.245 6.658 4.486 1.00 0.00 H new ATOM 0 HB3 LEU A 84 72.475 5.387 3.303 1.00 0.00 H new ATOM 0 HG LEU A 84 72.353 8.356 2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 84 74.812 8.160 2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 84 74.338 7.809 3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 84 74.744 6.476 2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 84 73.272 7.584 0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 84 73.212 5.900 1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 84 71.703 6.815 0.774 1.00 0.00 H new ATOM 1450 N GLY A 85 70.081 5.764 5.388 1.00 0.00 N ATOM 1451 CA GLY A 85 69.418 4.930 6.436 1.00 0.00 C ATOM 1452 C GLY A 85 70.390 4.769 7.605 1.00 0.00 C ATOM 1453 O GLY A 85 70.692 3.678 8.046 1.00 0.00 O ATOM 0 H GLY A 85 70.709 6.484 5.745 1.00 0.00 H new ATOM 0 HA2 GLY A 85 68.495 5.404 6.771 1.00 0.00 H new ATOM 0 HA3 GLY A 85 69.147 3.955 6.031 1.00 0.00 H new ATOM 1457 N ILE A 86 70.904 5.866 8.074 1.00 0.00 N ATOM 1458 CA ILE A 86 71.888 5.867 9.176 1.00 0.00 C ATOM 1459 C ILE A 86 71.170 5.897 10.534 1.00 0.00 C ATOM 1460 O ILE A 86 70.936 4.869 11.139 1.00 0.00 O ATOM 1461 CB ILE A 86 72.744 7.120 8.975 1.00 0.00 C ATOM 1462 CG1 ILE A 86 73.421 7.566 10.254 1.00 0.00 C ATOM 1463 CG2 ILE A 86 71.864 8.258 8.489 1.00 0.00 C ATOM 1464 CD1 ILE A 86 73.904 6.352 11.047 1.00 0.00 C ATOM 0 H ILE A 86 70.671 6.795 7.722 1.00 0.00 H new ATOM 0 HA ILE A 86 72.504 4.968 9.169 1.00 0.00 H new ATOM 0 HB ILE A 86 73.514 6.869 8.245 1.00 0.00 H new ATOM 0 HG12 ILE A 86 74.264 8.216 10.020 1.00 0.00 H new ATOM 0 HG13 ILE A 86 72.726 8.150 10.857 1.00 0.00 H new ATOM 0 HG21 ILE A 86 72.471 9.152 8.345 1.00 0.00 H new ATOM 0 HG22 ILE A 86 71.398 7.980 7.544 1.00 0.00 H new ATOM 0 HG23 ILE A 86 71.090 8.461 9.229 1.00 0.00 H new ATOM 0 HD11 ILE A 86 74.389 6.686 11.964 1.00 0.00 H new ATOM 0 HD12 ILE A 86 73.053 5.718 11.296 1.00 0.00 H new ATOM 0 HD13 ILE A 86 74.615 5.785 10.447 1.00 0.00 H new ATOM 1476 N ARG A 87 70.818 7.054 11.020 1.00 0.00 N ATOM 1477 CA ARG A 87 70.130 7.147 12.312 1.00 0.00 C ATOM 1478 C ARG A 87 68.633 7.312 12.065 1.00 0.00 C ATOM 1479 O ARG A 87 68.014 6.530 11.372 1.00 0.00 O ATOM 1480 CB ARG A 87 70.699 8.348 13.070 1.00 0.00 C ATOM 1481 CG ARG A 87 72.186 8.120 13.350 1.00 0.00 C ATOM 1482 CD ARG A 87 72.521 8.614 14.757 1.00 0.00 C ATOM 1483 NE ARG A 87 73.447 7.650 15.415 1.00 0.00 N ATOM 1484 CZ ARG A 87 74.132 8.016 16.464 1.00 0.00 C ATOM 1485 NH1 ARG A 87 73.787 9.084 17.128 1.00 0.00 N ATOM 1486 NH2 ARG A 87 75.164 7.314 16.847 1.00 0.00 N ATOM 0 H ARG A 87 70.986 7.948 10.559 1.00 0.00 H new ATOM 0 HA ARG A 87 70.282 6.246 12.906 1.00 0.00 H new ATOM 0 HB2 ARG A 87 70.564 9.258 12.485 1.00 0.00 H new ATOM 0 HB3 ARG A 87 70.160 8.489 14.007 1.00 0.00 H new ATOM 0 HG2 ARG A 87 72.426 7.061 13.258 1.00 0.00 H new ATOM 0 HG3 ARG A 87 72.791 8.649 12.614 1.00 0.00 H new ATOM 0 HD2 ARG A 87 72.981 9.601 14.707 1.00 0.00 H new ATOM 0 HD3 ARG A 87 71.609 8.717 15.345 1.00 0.00 H new ATOM 0 HE ARG A 87 73.546 6.704 15.046 1.00 0.00 H new ATOM 0 HH11 ARG A 87 72.982 9.633 16.828 1.00 0.00 H new ATOM 0 HH12 ARG A 87 74.322 9.370 17.948 1.00 0.00 H new ATOM 0 HH21 ARG A 87 75.435 6.480 16.326 1.00 0.00 H new ATOM 0 HH22 ARG A 87 75.699 7.600 17.667 1.00 0.00 H new ATOM 1500 N GLY A 88 68.058 8.319 12.623 1.00 0.00 N ATOM 1501 CA GLY A 88 66.599 8.557 12.435 1.00 0.00 C ATOM 1502 C GLY A 88 66.199 9.855 13.138 1.00 0.00 C ATOM 1503 O GLY A 88 67.088 10.601 13.512 1.00 0.00 O ATOM 1504 OXT GLY A 88 65.009 10.081 13.291 1.00 0.00 O ATOM 0 H GLY A 88 68.533 9.003 13.212 1.00 0.00 H new ATOM 0 HA2 GLY A 88 66.364 8.619 11.372 1.00 0.00 H new ATOM 0 HA3 GLY A 88 66.028 7.721 12.840 1.00 0.00 H new TER 1508 GLY A 88