USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 668 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 3 SER OG : rot 180:sc= -0.0323 USER MOD Set 1.2: A 74 ASN : amide:sc= -0.101 X(o=-0.13,f=-0.23) USER MOD Set 2.1: A 65 ASN : amide:sc= -3.97! C(o=-4!,f=-2.5!) USER MOD Set 2.2: A 70 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 20 ASN : amide:sc= -0.895 X(o=-5,f=-4.6) USER MOD Set 3.2: A 22 GLN : amide:sc= -4.1! C(o=-5!,f=-8.7!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -1.5 K(o=-1.5,f=-0.085) USER MOD Single : A 10 ASN : amide:sc= -4.29! C(o=-4.3!,f=-3.5!) USER MOD Single : A 11 MET CE :methyl -138:sc= -0.734 (180deg=-3.36!) USER MOD Single : A 12 GLN : amide:sc= -3.54! C(o=-3.5!,f=-5.7!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -155:sc= 1.48 USER MOD Single : A 18 LYS NZ :NH3+ 145:sc= -2.6 (180deg=-5.62!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 33 GLN : amide:sc= -1.83! K(o=-1.8!,f=-0.68) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0347 USER MOD Single : A 38 LYS NZ :NH3+ 155:sc= 1.01 (180deg=0.6) USER MOD Single : A 40 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.393) USER MOD Single : A 42 HIS : no HD1:sc= -0.0159 X(o=-0.016,f=-0.33) USER MOD Single : A 45 THR OG1 : rot -64:sc= -0.768 USER MOD Single : A 47 MET CE :methyl 134:sc= -0.565 (180deg=-2.19!) USER MOD Single : A 51 LYS NZ :NH3+ 177:sc= 1.19 (180deg=1.13) USER MOD Single : A 52 GLN : amide:sc= -1.24 K(o=-1.2,f=-3.7!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -1.52! C(o=-1.5!,f=-1.5!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0205 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0624 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.08 K(o=-1.1,f=0) USER MOD Single : A 72 MET CE :methyl -130:sc= -1.27 (180deg=-2.84!) USER MOD Single : A 79 HIS : no HD1:sc= -0.298 X(o=-0.3,f=-0.0059) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 0.789 -1.179 -0.949 1.00 0.00 N ATOM 2 CA PRO A 1 1.789 -0.970 -2.020 1.00 0.00 C ATOM 3 C PRO A 1 1.870 -2.201 -2.911 1.00 0.00 C ATOM 4 O PRO A 1 1.100 -3.142 -2.744 1.00 0.00 O ATOM 5 CB PRO A 1 3.140 -0.686 -1.389 1.00 0.00 C ATOM 6 CG PRO A 1 2.944 -1.046 0.038 1.00 0.00 C ATOM 7 CD PRO A 1 1.469 -0.866 0.324 1.00 0.00 C ATOM 0 H2 PRO A 1 0.449 -2.141 -0.952 1.00 0.00 H new ATOM 0 H3 PRO A 1 -0.022 -0.575 -1.086 1.00 0.00 H new ATOM 0 HA PRO A 1 1.491 -0.121 -2.636 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.929 -1.282 -1.848 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.423 0.360 -1.503 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.254 -2.074 0.225 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.546 -0.409 0.686 1.00 0.00 H new ATOM 0 HD2 PRO A 1 1.138 -1.531 1.122 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.251 0.152 0.647 1.00 0.00 H new ATOM 17 N VAL A 2 2.796 -2.199 -3.855 1.00 0.00 N ATOM 18 CA VAL A 2 2.960 -3.335 -4.748 1.00 0.00 C ATOM 19 C VAL A 2 4.379 -3.866 -4.669 1.00 0.00 C ATOM 20 O VAL A 2 5.315 -3.129 -4.351 1.00 0.00 O ATOM 21 CB VAL A 2 2.626 -2.990 -6.216 1.00 0.00 C ATOM 22 CG1 VAL A 2 1.235 -2.394 -6.327 1.00 0.00 C ATOM 23 CG2 VAL A 2 3.666 -2.053 -6.809 1.00 0.00 C ATOM 0 H VAL A 2 3.443 -1.428 -4.023 1.00 0.00 H new ATOM 0 HA VAL A 2 2.254 -4.097 -4.417 1.00 0.00 H new ATOM 0 HB VAL A 2 2.645 -3.916 -6.790 1.00 0.00 H new ATOM 0 HG11 VAL A 2 1.022 -2.159 -7.370 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.501 -3.112 -5.960 1.00 0.00 H new ATOM 0 HG13 VAL A 2 1.181 -1.483 -5.731 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.405 -1.827 -7.843 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.694 -1.129 -6.232 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.646 -2.530 -6.778 1.00 0.00 H new ATOM 33 N SER A 3 4.535 -5.143 -4.947 1.00 0.00 N ATOM 34 CA SER A 3 5.834 -5.770 -4.878 1.00 0.00 C ATOM 35 C SER A 3 6.554 -5.646 -6.215 1.00 0.00 C ATOM 36 O SER A 3 6.114 -6.187 -7.230 1.00 0.00 O ATOM 37 CB SER A 3 5.684 -7.234 -4.464 1.00 0.00 C ATOM 38 OG SER A 3 4.700 -7.885 -5.249 1.00 0.00 O ATOM 0 H SER A 3 3.776 -5.766 -5.223 1.00 0.00 H new ATOM 0 HA SER A 3 6.437 -5.262 -4.126 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.640 -7.747 -4.574 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.411 -7.292 -3.410 1.00 0.00 H new ATOM 0 HG SER A 3 4.623 -8.820 -4.967 1.00 0.00 H new ATOM 44 N ILE A 4 7.649 -4.915 -6.205 1.00 0.00 N ATOM 45 CA ILE A 4 8.430 -4.684 -7.405 1.00 0.00 C ATOM 46 C ILE A 4 9.802 -5.322 -7.277 1.00 0.00 C ATOM 47 O ILE A 4 10.452 -5.231 -6.237 1.00 0.00 O ATOM 48 CB ILE A 4 8.593 -3.182 -7.703 1.00 0.00 C ATOM 49 CG1 ILE A 4 8.705 -2.383 -6.409 1.00 0.00 C ATOM 50 CG2 ILE A 4 7.436 -2.675 -8.549 1.00 0.00 C ATOM 51 CD1 ILE A 4 8.955 -0.913 -6.638 1.00 0.00 C ATOM 0 H ILE A 4 8.023 -4.465 -5.369 1.00 0.00 H new ATOM 0 HA ILE A 4 7.887 -5.140 -8.233 1.00 0.00 H new ATOM 0 HB ILE A 4 9.515 -3.045 -8.268 1.00 0.00 H new ATOM 0 HG12 ILE A 4 7.787 -2.504 -5.834 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.515 -2.793 -5.805 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.570 -1.612 -8.749 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.408 -3.221 -9.492 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.499 -2.829 -8.014 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.024 -0.402 -5.678 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.888 -0.784 -7.186 1.00 0.00 H new ATOM 0 HD13 ILE A 4 8.133 -0.490 -7.216 1.00 0.00 H new ATOM 63 N LYS A 5 10.232 -5.973 -8.334 1.00 0.00 N ATOM 64 CA LYS A 5 11.482 -6.704 -8.313 1.00 0.00 C ATOM 65 C LYS A 5 12.437 -6.131 -9.336 1.00 0.00 C ATOM 66 O LYS A 5 12.015 -5.661 -10.388 1.00 0.00 O ATOM 67 CB LYS A 5 11.232 -8.174 -8.623 1.00 0.00 C ATOM 68 CG LYS A 5 10.077 -8.753 -7.834 1.00 0.00 C ATOM 69 CD LYS A 5 9.442 -9.919 -8.558 1.00 0.00 C ATOM 70 CE LYS A 5 7.983 -10.041 -8.175 1.00 0.00 C ATOM 71 NZ LYS A 5 7.808 -10.504 -6.773 1.00 0.00 N ATOM 0 H LYS A 5 9.733 -6.012 -9.223 1.00 0.00 H new ATOM 0 HA LYS A 5 11.921 -6.613 -7.320 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.031 -8.287 -9.688 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.135 -8.745 -8.407 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.430 -9.079 -6.856 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.329 -7.979 -7.661 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.532 -9.780 -9.635 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.969 -10.841 -8.310 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.494 -9.075 -8.301 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.489 -10.739 -8.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.794 -10.573 -6.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.251 -11.438 -6.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.256 -9.826 -6.125 1.00 0.00 H new ATOM 85 N VAL A 6 13.712 -6.180 -9.031 1.00 0.00 N ATOM 86 CA VAL A 6 14.730 -5.727 -9.957 1.00 0.00 C ATOM 87 C VAL A 6 15.741 -6.839 -10.180 1.00 0.00 C ATOM 88 O VAL A 6 16.556 -7.142 -9.306 1.00 0.00 O ATOM 89 CB VAL A 6 15.458 -4.460 -9.456 1.00 0.00 C ATOM 90 CG1 VAL A 6 16.459 -3.970 -10.492 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.462 -3.363 -9.111 1.00 0.00 C ATOM 0 H VAL A 6 14.073 -6.531 -8.144 1.00 0.00 H new ATOM 0 HA VAL A 6 14.233 -5.470 -10.892 1.00 0.00 H new ATOM 0 HB VAL A 6 16.004 -4.720 -8.549 1.00 0.00 H new ATOM 0 HG11 VAL A 6 16.961 -3.077 -10.119 1.00 0.00 H new ATOM 0 HG12 VAL A 6 17.198 -4.749 -10.681 1.00 0.00 H new ATOM 0 HG13 VAL A 6 15.937 -3.733 -11.419 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.999 -2.481 -8.761 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.882 -3.106 -9.997 1.00 0.00 H new ATOM 0 HG23 VAL A 6 13.791 -3.714 -8.327 1.00 0.00 H new ATOM 101 N GLN A 7 15.657 -7.466 -11.340 1.00 0.00 N ATOM 102 CA GLN A 7 16.555 -8.546 -11.689 1.00 0.00 C ATOM 103 C GLN A 7 17.945 -7.988 -11.942 1.00 0.00 C ATOM 104 O GLN A 7 18.196 -7.362 -12.968 1.00 0.00 O ATOM 105 CB GLN A 7 16.046 -9.291 -12.928 1.00 0.00 C ATOM 106 CG GLN A 7 16.295 -10.788 -12.885 1.00 0.00 C ATOM 107 CD GLN A 7 17.764 -11.132 -12.960 1.00 0.00 C ATOM 108 OE1 GLN A 7 18.294 -11.430 -14.032 1.00 0.00 O ATOM 109 NE2 GLN A 7 18.438 -11.020 -11.834 1.00 0.00 N ATOM 0 H GLN A 7 14.970 -7.241 -12.059 1.00 0.00 H new ATOM 0 HA GLN A 7 16.597 -9.254 -10.861 1.00 0.00 H new ATOM 0 HB2 GLN A 7 14.976 -9.112 -13.034 1.00 0.00 H new ATOM 0 HB3 GLN A 7 16.528 -8.877 -13.814 1.00 0.00 H new ATOM 0 HG2 GLN A 7 15.876 -11.197 -11.965 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.771 -11.264 -13.713 1.00 0.00 H new ATOM 0 HE21 GLN A 7 17.953 -10.771 -10.972 1.00 0.00 H new ATOM 0 HE22 GLN A 7 19.445 -11.182 -11.824 1.00 0.00 H new ATOM 118 N VAL A 8 18.824 -8.197 -10.984 1.00 0.00 N ATOM 119 CA VAL A 8 20.188 -7.728 -11.075 1.00 0.00 C ATOM 120 C VAL A 8 21.004 -8.615 -12.007 1.00 0.00 C ATOM 121 O VAL A 8 21.045 -9.834 -11.836 1.00 0.00 O ATOM 122 CB VAL A 8 20.839 -7.680 -9.675 1.00 0.00 C ATOM 123 CG1 VAL A 8 22.347 -7.562 -9.770 1.00 0.00 C ATOM 124 CG2 VAL A 8 20.262 -6.525 -8.872 1.00 0.00 C ATOM 0 H VAL A 8 18.611 -8.697 -10.121 1.00 0.00 H new ATOM 0 HA VAL A 8 20.173 -6.719 -11.487 1.00 0.00 H new ATOM 0 HB VAL A 8 20.614 -8.616 -9.163 1.00 0.00 H new ATOM 0 HG11 VAL A 8 22.773 -7.531 -8.767 1.00 0.00 H new ATOM 0 HG12 VAL A 8 22.746 -8.422 -10.307 1.00 0.00 H new ATOM 0 HG13 VAL A 8 22.608 -6.648 -10.304 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.727 -6.499 -7.886 1.00 0.00 H new ATOM 0 HG22 VAL A 8 20.459 -5.587 -9.391 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.186 -6.660 -8.762 1.00 0.00 H new ATOM 134 N PRO A 9 21.670 -8.011 -13.004 1.00 0.00 N ATOM 135 CA PRO A 9 22.464 -8.755 -13.978 1.00 0.00 C ATOM 136 C PRO A 9 23.645 -9.467 -13.324 1.00 0.00 C ATOM 137 O PRO A 9 24.207 -8.993 -12.332 1.00 0.00 O ATOM 138 CB PRO A 9 22.952 -7.682 -14.960 1.00 0.00 C ATOM 139 CG PRO A 9 22.842 -6.394 -14.223 1.00 0.00 C ATOM 140 CD PRO A 9 21.706 -6.560 -13.252 1.00 0.00 C ATOM 0 HA PRO A 9 21.883 -9.541 -14.460 1.00 0.00 H new ATOM 0 HB2 PRO A 9 23.980 -7.871 -15.270 1.00 0.00 H new ATOM 0 HB3 PRO A 9 22.343 -7.671 -15.864 1.00 0.00 H new ATOM 0 HG2 PRO A 9 23.770 -6.165 -13.700 1.00 0.00 H new ATOM 0 HG3 PRO A 9 22.650 -5.569 -14.909 1.00 0.00 H new ATOM 0 HD2 PRO A 9 21.880 -6.001 -12.333 1.00 0.00 H new ATOM 0 HD3 PRO A 9 20.766 -6.202 -13.670 1.00 0.00 H new ATOM 148 N ASN A 10 24.000 -10.618 -13.871 1.00 0.00 N ATOM 149 CA ASN A 10 25.114 -11.403 -13.357 1.00 0.00 C ATOM 150 C ASN A 10 26.442 -10.760 -13.725 1.00 0.00 C ATOM 151 O ASN A 10 27.011 -11.057 -14.774 1.00 0.00 O ATOM 152 CB ASN A 10 25.070 -12.828 -13.921 1.00 0.00 C ATOM 153 CG ASN A 10 23.903 -13.647 -13.409 1.00 0.00 C ATOM 154 OD1 ASN A 10 22.800 -13.576 -13.949 1.00 0.00 O ATOM 155 ND2 ASN A 10 24.142 -14.455 -12.386 1.00 0.00 N ATOM 0 H ASN A 10 23.530 -11.033 -14.676 1.00 0.00 H new ATOM 0 HA ASN A 10 25.024 -11.439 -12.271 1.00 0.00 H new ATOM 0 HB2 ASN A 10 25.018 -12.778 -15.009 1.00 0.00 H new ATOM 0 HB3 ASN A 10 26.000 -13.338 -13.669 1.00 0.00 H new ATOM 0 HD21 ASN A 10 23.397 -15.047 -12.019 1.00 0.00 H new ATOM 0 HD22 ASN A 10 25.071 -14.485 -11.966 1.00 0.00 H new ATOM 162 N MET A 11 26.928 -9.858 -12.879 1.00 0.00 N ATOM 163 CA MET A 11 28.223 -9.234 -13.110 1.00 0.00 C ATOM 164 C MET A 11 28.992 -9.127 -11.804 1.00 0.00 C ATOM 165 O MET A 11 29.135 -8.046 -11.243 1.00 0.00 O ATOM 166 CB MET A 11 28.056 -7.846 -13.750 1.00 0.00 C ATOM 167 CG MET A 11 27.815 -7.901 -15.255 1.00 0.00 C ATOM 168 SD MET A 11 28.174 -6.344 -16.102 1.00 0.00 S ATOM 169 CE MET A 11 26.820 -5.316 -15.551 1.00 0.00 C ATOM 0 H MET A 11 26.449 -9.546 -12.035 1.00 0.00 H new ATOM 0 HA MET A 11 28.788 -9.859 -13.801 1.00 0.00 H new ATOM 0 HB2 MET A 11 27.221 -7.332 -13.274 1.00 0.00 H new ATOM 0 HB3 MET A 11 28.949 -7.253 -13.553 1.00 0.00 H new ATOM 0 HG2 MET A 11 28.432 -8.690 -15.685 1.00 0.00 H new ATOM 0 HG3 MET A 11 26.776 -8.174 -15.439 1.00 0.00 H new ATOM 0 HE1 MET A 11 26.442 -4.732 -16.390 1.00 0.00 H new ATOM 0 HE2 MET A 11 26.022 -5.946 -15.158 1.00 0.00 H new ATOM 0 HE3 MET A 11 27.169 -4.643 -14.768 1.00 0.00 H new ATOM 179 N GLN A 12 29.519 -10.263 -11.354 1.00 0.00 N ATOM 180 CA GLN A 12 30.159 -10.353 -10.043 1.00 0.00 C ATOM 181 C GLN A 12 31.567 -9.793 -10.105 1.00 0.00 C ATOM 182 O GLN A 12 31.994 -9.028 -9.241 1.00 0.00 O ATOM 183 CB GLN A 12 30.244 -11.812 -9.557 1.00 0.00 C ATOM 184 CG GLN A 12 29.077 -12.716 -9.943 1.00 0.00 C ATOM 185 CD GLN A 12 29.067 -13.074 -11.420 1.00 0.00 C ATOM 186 OE1 GLN A 12 30.106 -13.058 -12.081 1.00 0.00 O ATOM 187 NE2 GLN A 12 27.906 -13.417 -11.942 1.00 0.00 N ATOM 0 H GLN A 12 29.516 -11.137 -11.880 1.00 0.00 H new ATOM 0 HA GLN A 12 29.549 -9.776 -9.348 1.00 0.00 H new ATOM 0 HB2 GLN A 12 31.162 -12.251 -9.948 1.00 0.00 H new ATOM 0 HB3 GLN A 12 30.330 -11.807 -8.470 1.00 0.00 H new ATOM 0 HG2 GLN A 12 29.123 -13.631 -9.353 1.00 0.00 H new ATOM 0 HG3 GLN A 12 28.140 -12.220 -9.689 1.00 0.00 H new ATOM 0 HE21 GLN A 12 27.067 -13.418 -11.362 1.00 0.00 H new ATOM 0 HE22 GLN A 12 27.847 -13.681 -12.925 1.00 0.00 H new ATOM 196 N ASP A 13 32.270 -10.184 -11.149 1.00 0.00 N ATOM 197 CA ASP A 13 33.662 -9.811 -11.333 1.00 0.00 C ATOM 198 C ASP A 13 33.808 -8.960 -12.579 1.00 0.00 C ATOM 199 O ASP A 13 34.906 -8.560 -12.952 1.00 0.00 O ATOM 200 CB ASP A 13 34.526 -11.064 -11.494 1.00 0.00 C ATOM 201 CG ASP A 13 34.407 -12.040 -10.340 1.00 0.00 C ATOM 202 OD1 ASP A 13 33.521 -12.919 -10.390 1.00 0.00 O ATOM 203 OD2 ASP A 13 35.224 -11.960 -9.399 1.00 0.00 O ATOM 0 H ASP A 13 31.894 -10.769 -11.895 1.00 0.00 H new ATOM 0 HA ASP A 13 33.987 -9.249 -10.458 1.00 0.00 H new ATOM 0 HB2 ASP A 13 34.246 -11.571 -12.417 1.00 0.00 H new ATOM 0 HB3 ASP A 13 35.569 -10.764 -11.599 1.00 0.00 H new ATOM 208 N LYS A 14 32.684 -8.686 -13.218 1.00 0.00 N ATOM 209 CA LYS A 14 32.696 -8.042 -14.525 1.00 0.00 C ATOM 210 C LYS A 14 32.634 -6.529 -14.374 1.00 0.00 C ATOM 211 O LYS A 14 32.738 -5.792 -15.351 1.00 0.00 O ATOM 212 CB LYS A 14 31.512 -8.527 -15.372 1.00 0.00 C ATOM 213 CG LYS A 14 31.063 -9.951 -15.060 1.00 0.00 C ATOM 214 CD LYS A 14 32.142 -10.988 -15.334 1.00 0.00 C ATOM 215 CE LYS A 14 31.765 -12.327 -14.716 1.00 0.00 C ATOM 216 NZ LYS A 14 32.735 -13.407 -15.044 1.00 0.00 N ATOM 0 H LYS A 14 31.754 -8.897 -12.857 1.00 0.00 H new ATOM 0 HA LYS A 14 33.625 -8.309 -15.028 1.00 0.00 H new ATOM 0 HB2 LYS A 14 30.670 -7.851 -15.221 1.00 0.00 H new ATOM 0 HB3 LYS A 14 31.784 -8.466 -16.426 1.00 0.00 H new ATOM 0 HG2 LYS A 14 30.766 -10.011 -14.013 1.00 0.00 H new ATOM 0 HG3 LYS A 14 30.181 -10.187 -15.655 1.00 0.00 H new ATOM 0 HD2 LYS A 14 32.279 -11.103 -16.409 1.00 0.00 H new ATOM 0 HD3 LYS A 14 33.094 -10.648 -14.926 1.00 0.00 H new ATOM 0 HE2 LYS A 14 31.702 -12.218 -13.633 1.00 0.00 H new ATOM 0 HE3 LYS A 14 30.774 -12.617 -15.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 32.429 -14.295 -14.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 32.777 -13.534 -16.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 33.677 -13.147 -14.688 1.00 0.00 H new ATOM 230 N THR A 15 32.481 -6.075 -13.140 1.00 0.00 N ATOM 231 CA THR A 15 32.323 -4.656 -12.869 1.00 0.00 C ATOM 232 C THR A 15 32.554 -4.354 -11.383 1.00 0.00 C ATOM 233 O THR A 15 32.936 -5.238 -10.614 1.00 0.00 O ATOM 234 CB THR A 15 30.921 -4.172 -13.307 1.00 0.00 C ATOM 235 OG1 THR A 15 30.811 -2.748 -13.174 1.00 0.00 O ATOM 236 CG2 THR A 15 29.831 -4.856 -12.493 1.00 0.00 C ATOM 0 H THR A 15 32.463 -6.669 -12.311 1.00 0.00 H new ATOM 0 HA THR A 15 33.073 -4.116 -13.447 1.00 0.00 H new ATOM 0 HB THR A 15 30.790 -4.438 -14.356 1.00 0.00 H new ATOM 0 HG1 THR A 15 29.870 -2.502 -13.055 1.00 0.00 H new ATOM 0 HG21 THR A 15 28.854 -4.499 -12.820 1.00 0.00 H new ATOM 0 HG22 THR A 15 29.890 -5.935 -12.639 1.00 0.00 H new ATOM 0 HG23 THR A 15 29.967 -4.625 -11.436 1.00 0.00 H new ATOM 244 N GLU A 16 32.319 -3.104 -10.994 1.00 0.00 N ATOM 245 CA GLU A 16 32.578 -2.638 -9.636 1.00 0.00 C ATOM 246 C GLU A 16 31.301 -2.618 -8.801 1.00 0.00 C ATOM 247 O GLU A 16 31.330 -2.308 -7.610 1.00 0.00 O ATOM 248 CB GLU A 16 33.162 -1.224 -9.679 1.00 0.00 C ATOM 249 CG GLU A 16 32.284 -0.243 -10.441 1.00 0.00 C ATOM 250 CD GLU A 16 32.703 1.197 -10.248 1.00 0.00 C ATOM 251 OE1 GLU A 16 33.665 1.636 -10.912 1.00 0.00 O ATOM 252 OE2 GLU A 16 32.061 1.904 -9.443 1.00 0.00 O ATOM 0 H GLU A 16 31.943 -2.385 -11.612 1.00 0.00 H new ATOM 0 HA GLU A 16 33.285 -3.328 -9.176 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.301 -0.863 -8.660 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.148 -1.258 -10.143 1.00 0.00 H new ATOM 0 HG2 GLU A 16 32.315 -0.485 -11.503 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.250 -0.362 -10.117 1.00 0.00 H new ATOM 259 N TRP A 17 30.185 -2.939 -9.432 1.00 0.00 N ATOM 260 CA TRP A 17 28.887 -2.840 -8.776 1.00 0.00 C ATOM 261 C TRP A 17 28.571 -4.105 -7.987 1.00 0.00 C ATOM 262 O TRP A 17 29.252 -5.122 -8.117 1.00 0.00 O ATOM 263 CB TRP A 17 27.787 -2.581 -9.806 1.00 0.00 C ATOM 264 CG TRP A 17 28.079 -1.413 -10.694 1.00 0.00 C ATOM 265 CD1 TRP A 17 28.475 -0.170 -10.303 1.00 0.00 C ATOM 266 CD2 TRP A 17 27.991 -1.378 -12.122 1.00 0.00 C ATOM 267 NE1 TRP A 17 28.658 0.633 -11.399 1.00 0.00 N ATOM 268 CE2 TRP A 17 28.363 -0.087 -12.530 1.00 0.00 C ATOM 269 CE3 TRP A 17 27.640 -2.314 -13.096 1.00 0.00 C ATOM 270 CZ2 TRP A 17 28.394 0.287 -13.869 1.00 0.00 C ATOM 271 CZ3 TRP A 17 27.668 -1.940 -14.423 1.00 0.00 C ATOM 272 CH2 TRP A 17 28.044 -0.649 -14.799 1.00 0.00 C ATOM 0 H TRP A 17 30.148 -3.270 -10.396 1.00 0.00 H new ATOM 0 HA TRP A 17 28.929 -2.003 -8.080 1.00 0.00 H new ATOM 0 HB2 TRP A 17 27.655 -3.472 -10.419 1.00 0.00 H new ATOM 0 HB3 TRP A 17 26.844 -2.408 -9.287 1.00 0.00 H new ATOM 0 HD1 TRP A 17 28.623 0.138 -9.279 1.00 0.00 H new ATOM 0 HE1 TRP A 17 28.963 1.606 -11.378 1.00 0.00 H new ATOM 0 HE3 TRP A 17 27.351 -3.316 -12.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 28.685 1.284 -14.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 27.395 -2.657 -15.183 1.00 0.00 H new ATOM 0 HH2 TRP A 17 28.058 -0.386 -15.846 1.00 0.00 H new ATOM 283 N LYS A 18 27.512 -4.039 -7.187 1.00 0.00 N ATOM 284 CA LYS A 18 27.106 -5.153 -6.342 1.00 0.00 C ATOM 285 C LYS A 18 26.285 -6.172 -7.135 1.00 0.00 C ATOM 286 O LYS A 18 25.522 -6.957 -6.571 1.00 0.00 O ATOM 287 CB LYS A 18 26.297 -4.630 -5.147 1.00 0.00 C ATOM 288 CG LYS A 18 24.903 -4.133 -5.509 1.00 0.00 C ATOM 289 CD LYS A 18 23.845 -5.120 -5.044 1.00 0.00 C ATOM 290 CE LYS A 18 22.742 -5.306 -6.072 1.00 0.00 C ATOM 291 NZ LYS A 18 21.791 -4.161 -6.077 1.00 0.00 N ATOM 0 H LYS A 18 26.915 -3.216 -7.107 1.00 0.00 H new ATOM 0 HA LYS A 18 28.002 -5.655 -5.977 1.00 0.00 H new ATOM 0 HB2 LYS A 18 26.207 -5.425 -4.407 1.00 0.00 H new ATOM 0 HB3 LYS A 18 26.850 -3.817 -4.676 1.00 0.00 H new ATOM 0 HG2 LYS A 18 24.727 -3.160 -5.050 1.00 0.00 H new ATOM 0 HG3 LYS A 18 24.829 -3.994 -6.588 1.00 0.00 H new ATOM 0 HD2 LYS A 18 24.314 -6.082 -4.838 1.00 0.00 H new ATOM 0 HD3 LYS A 18 23.411 -4.770 -4.107 1.00 0.00 H new ATOM 0 HE2 LYS A 18 23.183 -5.416 -7.063 1.00 0.00 H new ATOM 0 HE3 LYS A 18 22.200 -6.228 -5.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 21.462 -3.987 -7.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 20.976 -4.384 -5.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 22.269 -3.311 -5.716 1.00 0.00 H new ATOM 305 N LEU A 19 26.443 -6.169 -8.443 1.00 0.00 N ATOM 306 CA LEU A 19 25.684 -7.060 -9.294 1.00 0.00 C ATOM 307 C LEU A 19 26.285 -8.456 -9.219 1.00 0.00 C ATOM 308 O LEU A 19 27.496 -8.606 -9.274 1.00 0.00 O ATOM 309 CB LEU A 19 25.709 -6.557 -10.738 1.00 0.00 C ATOM 310 CG LEU A 19 25.464 -5.056 -10.902 1.00 0.00 C ATOM 311 CD1 LEU A 19 25.437 -4.686 -12.369 1.00 0.00 C ATOM 312 CD2 LEU A 19 24.172 -4.640 -10.230 1.00 0.00 C ATOM 0 H LEU A 19 27.091 -5.558 -8.940 1.00 0.00 H new ATOM 0 HA LEU A 19 24.649 -7.090 -8.954 1.00 0.00 H new ATOM 0 HB2 LEU A 19 26.677 -6.802 -11.176 1.00 0.00 H new ATOM 0 HB3 LEU A 19 24.954 -7.098 -11.309 1.00 0.00 H new ATOM 0 HG LEU A 19 26.283 -4.523 -10.419 1.00 0.00 H new ATOM 0 HD11 LEU A 19 25.262 -3.615 -12.471 1.00 0.00 H new ATOM 0 HD12 LEU A 19 26.392 -4.943 -12.827 1.00 0.00 H new ATOM 0 HD13 LEU A 19 24.637 -5.234 -12.868 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.022 -3.568 -10.362 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.338 -5.181 -10.678 1.00 0.00 H new ATOM 0 HD23 LEU A 19 24.225 -4.871 -9.166 1.00 0.00 H new ATOM 324 N ASN A 20 25.454 -9.473 -9.049 1.00 0.00 N ATOM 325 CA ASN A 20 25.952 -10.848 -8.959 1.00 0.00 C ATOM 326 C ASN A 20 24.952 -11.819 -9.560 1.00 0.00 C ATOM 327 O ASN A 20 25.102 -13.032 -9.443 1.00 0.00 O ATOM 328 CB ASN A 20 26.237 -11.244 -7.500 1.00 0.00 C ATOM 329 CG ASN A 20 27.322 -10.404 -6.855 1.00 0.00 C ATOM 330 OD1 ASN A 20 28.491 -10.786 -6.814 1.00 0.00 O ATOM 331 ND2 ASN A 20 26.936 -9.234 -6.373 1.00 0.00 N ATOM 0 H ASN A 20 24.441 -9.380 -8.971 1.00 0.00 H new ATOM 0 HA ASN A 20 26.884 -10.895 -9.522 1.00 0.00 H new ATOM 0 HB2 ASN A 20 25.320 -11.150 -6.919 1.00 0.00 H new ATOM 0 HB3 ASN A 20 26.530 -12.293 -7.466 1.00 0.00 H new ATOM 0 HD21 ASN A 20 27.619 -8.608 -5.946 1.00 0.00 H new ATOM 0 HD22 ASN A 20 25.956 -8.958 -6.428 1.00 0.00 H new ATOM 338 N GLY A 21 23.943 -11.281 -10.229 1.00 0.00 N ATOM 339 CA GLY A 21 22.912 -12.118 -10.795 1.00 0.00 C ATOM 340 C GLY A 21 21.798 -12.438 -9.820 1.00 0.00 C ATOM 341 O GLY A 21 21.035 -13.377 -10.037 1.00 0.00 O ATOM 0 H GLY A 21 23.822 -10.281 -10.389 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.489 -11.622 -11.669 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.360 -13.049 -11.143 1.00 0.00 H new ATOM 345 N GLN A 22 21.715 -11.686 -8.731 1.00 0.00 N ATOM 346 CA GLN A 22 20.619 -11.864 -7.788 1.00 0.00 C ATOM 347 C GLN A 22 19.426 -11.008 -8.195 1.00 0.00 C ATOM 348 O GLN A 22 19.494 -10.239 -9.148 1.00 0.00 O ATOM 349 CB GLN A 22 21.038 -11.535 -6.347 1.00 0.00 C ATOM 350 CG GLN A 22 21.392 -10.074 -6.109 1.00 0.00 C ATOM 351 CD GLN A 22 22.873 -9.796 -6.235 1.00 0.00 C ATOM 352 OE1 GLN A 22 23.706 -10.653 -5.956 1.00 0.00 O ATOM 353 NE2 GLN A 22 23.210 -8.591 -6.658 1.00 0.00 N ATOM 0 H GLN A 22 22.383 -10.957 -8.481 1.00 0.00 H new ATOM 0 HA GLN A 22 20.335 -12.916 -7.816 1.00 0.00 H new ATOM 0 HB2 GLN A 22 20.227 -11.813 -5.674 1.00 0.00 H new ATOM 0 HB3 GLN A 22 21.897 -12.151 -6.082 1.00 0.00 H new ATOM 0 HG2 GLN A 22 20.850 -9.454 -6.823 1.00 0.00 H new ATOM 0 HG3 GLN A 22 21.057 -9.782 -5.114 1.00 0.00 H new ATOM 0 HE21 GLN A 22 22.486 -7.907 -6.879 1.00 0.00 H new ATOM 0 HE22 GLN A 22 24.194 -8.344 -6.763 1.00 0.00 H new ATOM 362 N VAL A 23 18.337 -11.148 -7.469 1.00 0.00 N ATOM 363 CA VAL A 23 17.120 -10.406 -7.757 1.00 0.00 C ATOM 364 C VAL A 23 16.720 -9.575 -6.548 1.00 0.00 C ATOM 365 O VAL A 23 16.635 -10.091 -5.436 1.00 0.00 O ATOM 366 CB VAL A 23 15.948 -11.345 -8.130 1.00 0.00 C ATOM 367 CG1 VAL A 23 14.711 -10.542 -8.514 1.00 0.00 C ATOM 368 CG2 VAL A 23 16.341 -12.284 -9.258 1.00 0.00 C ATOM 0 H VAL A 23 18.266 -11.774 -6.667 1.00 0.00 H new ATOM 0 HA VAL A 23 17.328 -9.759 -8.609 1.00 0.00 H new ATOM 0 HB VAL A 23 15.710 -11.946 -7.252 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.900 -11.224 -8.772 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.407 -9.918 -7.674 1.00 0.00 H new ATOM 0 HG13 VAL A 23 14.940 -9.909 -9.371 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.500 -12.933 -9.501 1.00 0.00 H new ATOM 0 HG22 VAL A 23 16.615 -11.701 -10.137 1.00 0.00 H new ATOM 0 HG23 VAL A 23 17.190 -12.892 -8.946 1.00 0.00 H new ATOM 378 N LEU A 24 16.501 -8.289 -6.762 1.00 0.00 N ATOM 379 CA LEU A 24 16.053 -7.412 -5.696 1.00 0.00 C ATOM 380 C LEU A 24 14.540 -7.431 -5.623 1.00 0.00 C ATOM 381 O LEU A 24 13.867 -7.478 -6.649 1.00 0.00 O ATOM 382 CB LEU A 24 16.531 -5.979 -5.932 1.00 0.00 C ATOM 383 CG LEU A 24 18.046 -5.797 -6.054 1.00 0.00 C ATOM 384 CD1 LEU A 24 18.384 -4.345 -6.360 1.00 0.00 C ATOM 385 CD2 LEU A 24 18.743 -6.248 -4.780 1.00 0.00 C ATOM 0 H LEU A 24 16.626 -7.830 -7.664 1.00 0.00 H new ATOM 0 HA LEU A 24 16.475 -7.770 -4.757 1.00 0.00 H new ATOM 0 HB2 LEU A 24 16.064 -5.605 -6.843 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.173 -5.356 -5.112 1.00 0.00 H new ATOM 0 HG LEU A 24 18.402 -6.416 -6.878 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.465 -4.233 -6.444 1.00 0.00 H new ATOM 0 HD12 LEU A 24 17.915 -4.053 -7.300 1.00 0.00 H new ATOM 0 HD13 LEU A 24 18.014 -3.708 -5.556 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.819 -6.111 -4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.383 -5.656 -3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.527 -7.301 -4.601 1.00 0.00 H new ATOM 397 N VAL A 25 14.006 -7.398 -4.417 1.00 0.00 N ATOM 398 CA VAL A 25 12.569 -7.394 -4.225 1.00 0.00 C ATOM 399 C VAL A 25 12.194 -6.309 -3.231 1.00 0.00 C ATOM 400 O VAL A 25 12.450 -6.429 -2.032 1.00 0.00 O ATOM 401 CB VAL A 25 12.044 -8.754 -3.718 1.00 0.00 C ATOM 402 CG1 VAL A 25 10.527 -8.727 -3.601 1.00 0.00 C ATOM 403 CG2 VAL A 25 12.485 -9.893 -4.630 1.00 0.00 C ATOM 0 H VAL A 25 14.548 -7.374 -3.553 1.00 0.00 H new ATOM 0 HA VAL A 25 12.109 -7.201 -5.194 1.00 0.00 H new ATOM 0 HB VAL A 25 12.471 -8.930 -2.731 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.172 -9.693 -3.242 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.230 -7.948 -2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.090 -8.520 -4.578 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.099 -10.837 -4.246 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.098 -9.725 -5.635 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.574 -9.932 -4.662 1.00 0.00 H new ATOM 413 N PHE A 26 11.600 -5.250 -3.737 1.00 0.00 N ATOM 414 CA PHE A 26 11.226 -4.118 -2.915 1.00 0.00 C ATOM 415 C PHE A 26 9.726 -3.905 -3.020 1.00 0.00 C ATOM 416 O PHE A 26 9.079 -4.467 -3.900 1.00 0.00 O ATOM 417 CB PHE A 26 11.978 -2.857 -3.360 1.00 0.00 C ATOM 418 CG PHE A 26 13.478 -2.975 -3.294 1.00 0.00 C ATOM 419 CD1 PHE A 26 14.097 -3.542 -2.191 1.00 0.00 C ATOM 420 CD2 PHE A 26 14.268 -2.518 -4.337 1.00 0.00 C ATOM 421 CE1 PHE A 26 15.473 -3.657 -2.134 1.00 0.00 C ATOM 422 CE2 PHE A 26 15.643 -2.629 -4.284 1.00 0.00 C ATOM 423 CZ PHE A 26 16.246 -3.201 -3.181 1.00 0.00 C ATOM 0 H PHE A 26 11.363 -5.149 -4.724 1.00 0.00 H new ATOM 0 HA PHE A 26 11.494 -4.320 -1.878 1.00 0.00 H new ATOM 0 HB2 PHE A 26 11.689 -2.618 -4.383 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.663 -2.021 -2.736 1.00 0.00 H new ATOM 0 HD1 PHE A 26 13.497 -3.898 -1.367 1.00 0.00 H new ATOM 0 HD2 PHE A 26 13.802 -2.069 -5.202 1.00 0.00 H new ATOM 0 HE1 PHE A 26 15.943 -4.104 -1.270 1.00 0.00 H new ATOM 0 HE2 PHE A 26 16.246 -2.269 -5.104 1.00 0.00 H new ATOM 0 HZ PHE A 26 17.321 -3.291 -3.139 1.00 0.00 H new ATOM 433 N THR A 27 9.160 -3.130 -2.121 1.00 0.00 N ATOM 434 CA THR A 27 7.744 -2.842 -2.181 1.00 0.00 C ATOM 435 C THR A 27 7.512 -1.338 -2.164 1.00 0.00 C ATOM 436 O THR A 27 7.948 -0.645 -1.245 1.00 0.00 O ATOM 437 CB THR A 27 6.992 -3.495 -1.009 1.00 0.00 C ATOM 438 OG1 THR A 27 7.472 -4.831 -0.812 1.00 0.00 O ATOM 439 CG2 THR A 27 5.494 -3.531 -1.264 1.00 0.00 C ATOM 0 H THR A 27 9.655 -2.691 -1.345 1.00 0.00 H new ATOM 0 HA THR A 27 7.358 -3.258 -3.112 1.00 0.00 H new ATOM 0 HB THR A 27 7.174 -2.896 -0.116 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.992 -5.244 -0.064 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.992 -3.999 -0.417 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.122 -2.514 -1.390 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.292 -4.106 -2.168 1.00 0.00 H new ATOM 447 N LEU A 28 6.845 -0.845 -3.190 1.00 0.00 N ATOM 448 CA LEU A 28 6.545 0.573 -3.306 1.00 0.00 C ATOM 449 C LEU A 28 5.116 0.755 -3.785 1.00 0.00 C ATOM 450 O LEU A 28 4.578 -0.105 -4.478 1.00 0.00 O ATOM 451 CB LEU A 28 7.513 1.258 -4.278 1.00 0.00 C ATOM 452 CG LEU A 28 8.945 1.437 -3.765 1.00 0.00 C ATOM 453 CD1 LEU A 28 9.849 1.973 -4.866 1.00 0.00 C ATOM 454 CD2 LEU A 28 8.970 2.369 -2.564 1.00 0.00 C ATOM 0 H LEU A 28 6.497 -1.411 -3.964 1.00 0.00 H new ATOM 0 HA LEU A 28 6.662 1.034 -2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.546 0.678 -5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.111 2.239 -4.533 1.00 0.00 H new ATOM 0 HG LEU A 28 9.319 0.461 -3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.861 2.093 -4.480 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.860 1.273 -5.701 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.474 2.938 -5.207 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.996 2.484 -2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.573 3.343 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.359 1.949 -1.765 1.00 0.00 H new ATOM 466 N PRO A 29 4.467 1.853 -3.385 1.00 0.00 N ATOM 467 CA PRO A 29 3.123 2.178 -3.853 1.00 0.00 C ATOM 468 C PRO A 29 3.112 2.490 -5.344 1.00 0.00 C ATOM 469 O PRO A 29 4.107 2.958 -5.899 1.00 0.00 O ATOM 470 CB PRO A 29 2.741 3.416 -3.035 1.00 0.00 C ATOM 471 CG PRO A 29 4.036 4.006 -2.594 1.00 0.00 C ATOM 472 CD PRO A 29 4.992 2.856 -2.447 1.00 0.00 C ATOM 0 HA PRO A 29 2.427 1.350 -3.723 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.170 4.124 -3.635 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.119 3.148 -2.181 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.404 4.727 -3.324 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.920 4.539 -1.650 1.00 0.00 H new ATOM 0 HD2 PRO A 29 6.012 3.147 -2.699 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.012 2.478 -1.425 1.00 0.00 H new ATOM 480 N LEU A 30 1.977 2.239 -5.979 1.00 0.00 N ATOM 481 CA LEU A 30 1.812 2.487 -7.412 1.00 0.00 C ATOM 482 C LEU A 30 1.966 3.983 -7.725 1.00 0.00 C ATOM 483 O LEU A 30 2.017 4.392 -8.885 1.00 0.00 O ATOM 484 CB LEU A 30 0.431 1.990 -7.857 1.00 0.00 C ATOM 485 CG LEU A 30 0.222 1.879 -9.366 1.00 0.00 C ATOM 486 CD1 LEU A 30 1.171 0.849 -9.954 1.00 0.00 C ATOM 487 CD2 LEU A 30 -1.219 1.513 -9.680 1.00 0.00 C ATOM 0 H LEU A 30 1.147 1.860 -5.523 1.00 0.00 H new ATOM 0 HA LEU A 30 2.585 1.947 -7.958 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.257 1.011 -7.412 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.325 2.663 -7.453 1.00 0.00 H new ATOM 0 HG LEU A 30 0.436 2.848 -9.817 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.012 0.780 -11.030 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.200 1.149 -9.758 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.983 -0.122 -9.496 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.348 1.439 -10.760 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.460 0.555 -9.219 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.884 2.282 -9.287 1.00 0.00 H new ATOM 499 N THR A 31 2.046 4.784 -6.673 1.00 0.00 N ATOM 500 CA THR A 31 2.172 6.221 -6.798 1.00 0.00 C ATOM 501 C THR A 31 3.606 6.638 -7.101 1.00 0.00 C ATOM 502 O THR A 31 3.846 7.739 -7.600 1.00 0.00 O ATOM 503 CB THR A 31 1.698 6.912 -5.514 1.00 0.00 C ATOM 504 OG1 THR A 31 2.449 6.432 -4.387 1.00 0.00 O ATOM 505 CG2 THR A 31 0.225 6.636 -5.288 1.00 0.00 C ATOM 0 H THR A 31 2.025 4.451 -5.709 1.00 0.00 H new ATOM 0 HA THR A 31 1.544 6.530 -7.634 1.00 0.00 H new ATOM 0 HB THR A 31 1.854 7.986 -5.621 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.140 6.881 -3.573 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.102 7.131 -4.374 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.350 7.016 -6.132 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.066 5.562 -5.195 1.00 0.00 H new ATOM 513 N ASP A 32 4.555 5.763 -6.792 1.00 0.00 N ATOM 514 CA ASP A 32 5.957 6.034 -7.088 1.00 0.00 C ATOM 515 C ASP A 32 6.222 5.867 -8.578 1.00 0.00 C ATOM 516 O ASP A 32 5.304 5.604 -9.366 1.00 0.00 O ATOM 517 CB ASP A 32 6.892 5.125 -6.275 1.00 0.00 C ATOM 518 CG ASP A 32 7.069 5.591 -4.841 1.00 0.00 C ATOM 519 OD1 ASP A 32 6.054 5.785 -4.142 1.00 0.00 O ATOM 520 OD2 ASP A 32 8.229 5.760 -4.404 1.00 0.00 O ATOM 0 H ASP A 32 4.382 4.865 -6.340 1.00 0.00 H new ATOM 0 HA ASP A 32 6.165 7.065 -6.801 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.495 4.110 -6.275 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.866 5.086 -6.762 1.00 0.00 H new ATOM 525 N GLN A 33 7.473 6.008 -8.971 1.00 0.00 N ATOM 526 CA GLN A 33 7.820 6.010 -10.380 1.00 0.00 C ATOM 527 C GLN A 33 9.169 5.348 -10.625 1.00 0.00 C ATOM 528 O GLN A 33 9.876 4.986 -9.684 1.00 0.00 O ATOM 529 CB GLN A 33 7.826 7.445 -10.922 1.00 0.00 C ATOM 530 CG GLN A 33 8.672 8.422 -10.113 1.00 0.00 C ATOM 531 CD GLN A 33 7.985 8.946 -8.858 1.00 0.00 C ATOM 532 OE1 GLN A 33 8.640 9.219 -7.857 1.00 0.00 O ATOM 533 NE2 GLN A 33 6.672 9.125 -8.908 1.00 0.00 N ATOM 0 H GLN A 33 8.264 6.122 -8.337 1.00 0.00 H new ATOM 0 HA GLN A 33 7.064 5.430 -10.910 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.192 7.431 -11.949 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.800 7.812 -10.954 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.602 7.931 -9.827 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.940 9.267 -10.748 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.157 8.888 -9.756 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.177 9.500 -8.099 1.00 0.00 H new ATOM 542 N VAL A 34 9.517 5.206 -11.900 1.00 0.00 N ATOM 543 CA VAL A 34 10.772 4.569 -12.296 1.00 0.00 C ATOM 544 C VAL A 34 11.964 5.336 -11.737 1.00 0.00 C ATOM 545 O VAL A 34 13.009 4.753 -11.450 1.00 0.00 O ATOM 546 CB VAL A 34 10.916 4.475 -13.832 1.00 0.00 C ATOM 547 CG1 VAL A 34 12.167 3.702 -14.209 1.00 0.00 C ATOM 548 CG2 VAL A 34 9.679 3.846 -14.447 1.00 0.00 C ATOM 0 H VAL A 34 8.945 5.525 -12.682 1.00 0.00 H new ATOM 0 HA VAL A 34 10.752 3.559 -11.887 1.00 0.00 H new ATOM 0 HB VAL A 34 11.014 5.485 -14.230 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.248 3.648 -15.295 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.043 4.208 -13.804 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.109 2.694 -13.799 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.800 3.789 -15.529 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.542 2.843 -14.043 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.806 4.454 -14.211 1.00 0.00 H new ATOM 558 N SER A 35 11.789 6.645 -11.582 1.00 0.00 N ATOM 559 CA SER A 35 12.816 7.512 -11.019 1.00 0.00 C ATOM 560 C SER A 35 13.325 6.965 -9.687 1.00 0.00 C ATOM 561 O SER A 35 14.514 7.056 -9.378 1.00 0.00 O ATOM 562 CB SER A 35 12.249 8.916 -10.813 1.00 0.00 C ATOM 563 OG SER A 35 11.446 9.310 -11.913 1.00 0.00 O ATOM 0 H SER A 35 10.932 7.133 -11.843 1.00 0.00 H new ATOM 0 HA SER A 35 13.652 7.551 -11.718 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.656 8.941 -9.899 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.066 9.626 -10.683 1.00 0.00 H new ATOM 0 HG SER A 35 11.095 10.211 -11.755 1.00 0.00 H new ATOM 569 N VAL A 36 12.418 6.373 -8.912 1.00 0.00 N ATOM 570 CA VAL A 36 12.760 5.816 -7.619 1.00 0.00 C ATOM 571 C VAL A 36 13.582 4.541 -7.783 1.00 0.00 C ATOM 572 O VAL A 36 14.452 4.238 -6.969 1.00 0.00 O ATOM 573 CB VAL A 36 11.490 5.506 -6.799 1.00 0.00 C ATOM 574 CG1 VAL A 36 11.845 5.140 -5.373 1.00 0.00 C ATOM 575 CG2 VAL A 36 10.528 6.683 -6.831 1.00 0.00 C ATOM 0 H VAL A 36 11.436 6.270 -9.166 1.00 0.00 H new ATOM 0 HA VAL A 36 13.353 6.559 -7.085 1.00 0.00 H new ATOM 0 HB VAL A 36 10.994 4.649 -7.254 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.934 4.926 -4.815 1.00 0.00 H new ATOM 0 HG12 VAL A 36 12.486 4.259 -5.372 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.371 5.972 -4.904 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.640 6.443 -6.247 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.014 7.562 -6.408 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.239 6.889 -7.862 1.00 0.00 H new ATOM 585 N ILE A 37 13.312 3.804 -8.849 1.00 0.00 N ATOM 586 CA ILE A 37 14.023 2.559 -9.113 1.00 0.00 C ATOM 587 C ILE A 37 15.450 2.846 -9.563 1.00 0.00 C ATOM 588 O ILE A 37 16.405 2.304 -9.013 1.00 0.00 O ATOM 589 CB ILE A 37 13.313 1.704 -10.194 1.00 0.00 C ATOM 590 CG1 ILE A 37 11.806 1.604 -9.919 1.00 0.00 C ATOM 591 CG2 ILE A 37 13.940 0.318 -10.263 1.00 0.00 C ATOM 592 CD1 ILE A 37 11.456 1.037 -8.562 1.00 0.00 C ATOM 0 H ILE A 37 12.607 4.044 -9.546 1.00 0.00 H new ATOM 0 HA ILE A 37 14.033 1.995 -8.180 1.00 0.00 H new ATOM 0 HB ILE A 37 13.443 2.196 -11.158 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.366 2.597 -10.009 1.00 0.00 H new ATOM 0 HG13 ILE A 37 11.349 0.982 -10.688 1.00 0.00 H new ATOM 0 HG21 ILE A 37 13.433 -0.273 -11.026 1.00 0.00 H new ATOM 0 HG22 ILE A 37 14.996 0.409 -10.517 1.00 0.00 H new ATOM 0 HG23 ILE A 37 13.840 -0.175 -9.296 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.372 1.002 -8.451 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.863 0.030 -8.473 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.880 1.670 -7.783 1.00 0.00 H new ATOM 604 N LYS A 38 15.590 3.714 -10.556 1.00 0.00 N ATOM 605 CA LYS A 38 16.905 4.065 -11.080 1.00 0.00 C ATOM 606 C LYS A 38 17.799 4.660 -9.995 1.00 0.00 C ATOM 607 O LYS A 38 18.981 4.324 -9.907 1.00 0.00 O ATOM 608 CB LYS A 38 16.784 5.052 -12.243 1.00 0.00 C ATOM 609 CG LYS A 38 15.709 6.094 -12.047 1.00 0.00 C ATOM 610 CD LYS A 38 16.046 7.400 -12.737 1.00 0.00 C ATOM 611 CE LYS A 38 16.940 8.269 -11.869 1.00 0.00 C ATOM 612 NZ LYS A 38 16.977 9.672 -12.356 1.00 0.00 N ATOM 0 H LYS A 38 14.812 4.188 -11.015 1.00 0.00 H new ATOM 0 HA LYS A 38 17.363 3.144 -11.440 1.00 0.00 H new ATOM 0 HB2 LYS A 38 17.742 5.553 -12.383 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.577 4.497 -13.158 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.763 5.715 -12.433 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.569 6.274 -10.981 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.544 7.195 -13.685 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.127 7.938 -12.970 1.00 0.00 H new ATOM 0 HE2 LYS A 38 16.580 8.250 -10.840 1.00 0.00 H new ATOM 0 HE3 LYS A 38 17.950 7.859 -11.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.215 10.307 -11.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 17.696 9.762 -13.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.046 9.931 -12.740 1.00 0.00 H new ATOM 626 N VAL A 39 17.239 5.537 -9.166 1.00 0.00 N ATOM 627 CA VAL A 39 18.027 6.197 -8.135 1.00 0.00 C ATOM 628 C VAL A 39 18.438 5.213 -7.040 1.00 0.00 C ATOM 629 O VAL A 39 19.557 5.271 -6.537 1.00 0.00 O ATOM 630 CB VAL A 39 17.287 7.414 -7.520 1.00 0.00 C ATOM 631 CG1 VAL A 39 16.083 6.985 -6.695 1.00 0.00 C ATOM 632 CG2 VAL A 39 18.240 8.257 -6.683 1.00 0.00 C ATOM 0 H VAL A 39 16.255 5.803 -9.188 1.00 0.00 H new ATOM 0 HA VAL A 39 18.927 6.573 -8.621 1.00 0.00 H new ATOM 0 HB VAL A 39 16.918 8.023 -8.345 1.00 0.00 H new ATOM 0 HG11 VAL A 39 15.592 7.866 -6.282 1.00 0.00 H new ATOM 0 HG12 VAL A 39 15.382 6.443 -7.329 1.00 0.00 H new ATOM 0 HG13 VAL A 39 16.411 6.338 -5.882 1.00 0.00 H new ATOM 0 HG21 VAL A 39 17.701 9.105 -6.261 1.00 0.00 H new ATOM 0 HG22 VAL A 39 18.650 7.650 -5.876 1.00 0.00 H new ATOM 0 HG23 VAL A 39 19.053 8.620 -7.312 1.00 0.00 H new ATOM 642 N LYS A 40 17.548 4.285 -6.698 1.00 0.00 N ATOM 643 CA LYS A 40 17.840 3.328 -5.639 1.00 0.00 C ATOM 644 C LYS A 40 18.927 2.349 -6.079 1.00 0.00 C ATOM 645 O LYS A 40 19.780 1.960 -5.280 1.00 0.00 O ATOM 646 CB LYS A 40 16.570 2.585 -5.199 1.00 0.00 C ATOM 647 CG LYS A 40 16.060 1.533 -6.165 1.00 0.00 C ATOM 648 CD LYS A 40 14.654 1.102 -5.788 1.00 0.00 C ATOM 649 CE LYS A 40 14.559 0.804 -4.301 1.00 0.00 C ATOM 650 NZ LYS A 40 13.154 0.759 -3.824 1.00 0.00 N ATOM 0 H LYS A 40 16.632 4.177 -7.133 1.00 0.00 H new ATOM 0 HA LYS A 40 18.214 3.881 -4.777 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.764 2.107 -4.239 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.779 3.318 -5.037 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.065 1.930 -7.180 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.726 0.670 -6.157 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.946 1.887 -6.052 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.375 0.216 -6.359 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.042 -0.151 -4.092 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.105 1.566 -3.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.104 0.207 -2.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.817 1.727 -3.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.556 0.311 -4.548 1.00 0.00 H new ATOM 664 N ILE A 41 18.910 1.967 -7.350 1.00 0.00 N ATOM 665 CA ILE A 41 19.936 1.090 -7.896 1.00 0.00 C ATOM 666 C ILE A 41 21.269 1.826 -7.964 1.00 0.00 C ATOM 667 O ILE A 41 22.318 1.274 -7.635 1.00 0.00 O ATOM 668 CB ILE A 41 19.553 0.594 -9.304 1.00 0.00 C ATOM 669 CG1 ILE A 41 18.221 -0.145 -9.251 1.00 0.00 C ATOM 670 CG2 ILE A 41 20.637 -0.311 -9.879 1.00 0.00 C ATOM 671 CD1 ILE A 41 17.629 -0.406 -10.611 1.00 0.00 C ATOM 0 H ILE A 41 18.197 2.251 -8.021 1.00 0.00 H new ATOM 0 HA ILE A 41 20.025 0.227 -7.236 1.00 0.00 H new ATOM 0 HB ILE A 41 19.455 1.460 -9.958 1.00 0.00 H new ATOM 0 HG12 ILE A 41 18.361 -1.095 -8.735 1.00 0.00 H new ATOM 0 HG13 ILE A 41 17.514 0.437 -8.660 1.00 0.00 H new ATOM 0 HG21 ILE A 41 20.341 -0.647 -10.873 1.00 0.00 H new ATOM 0 HG22 ILE A 41 21.574 0.241 -9.947 1.00 0.00 H new ATOM 0 HG23 ILE A 41 20.772 -1.176 -9.229 1.00 0.00 H new ATOM 0 HD11 ILE A 41 16.682 -0.935 -10.500 1.00 0.00 H new ATOM 0 HD12 ILE A 41 17.458 0.542 -11.121 1.00 0.00 H new ATOM 0 HD13 ILE A 41 18.318 -1.014 -11.197 1.00 0.00 H new ATOM 683 N HIS A 42 21.202 3.083 -8.375 1.00 0.00 N ATOM 684 CA HIS A 42 22.377 3.951 -8.446 1.00 0.00 C ATOM 685 C HIS A 42 23.048 4.092 -7.077 1.00 0.00 C ATOM 686 O HIS A 42 24.267 4.209 -6.988 1.00 0.00 O ATOM 687 CB HIS A 42 21.968 5.323 -9.004 1.00 0.00 C ATOM 688 CG HIS A 42 23.003 6.405 -8.849 1.00 0.00 C ATOM 689 ND1 HIS A 42 24.314 6.269 -9.259 1.00 0.00 N ATOM 690 CD2 HIS A 42 22.902 7.658 -8.338 1.00 0.00 C ATOM 691 CE1 HIS A 42 24.971 7.385 -9.004 1.00 0.00 C ATOM 692 NE2 HIS A 42 24.138 8.244 -8.447 1.00 0.00 N ATOM 0 H HIS A 42 20.335 3.533 -8.669 1.00 0.00 H new ATOM 0 HA HIS A 42 23.107 3.498 -9.116 1.00 0.00 H new ATOM 0 HB2 HIS A 42 21.734 5.213 -10.063 1.00 0.00 H new ATOM 0 HB3 HIS A 42 21.052 5.643 -8.507 1.00 0.00 H new ATOM 0 HD2 HIS A 42 22.014 8.110 -7.923 1.00 0.00 H new ATOM 0 HE1 HIS A 42 26.015 7.565 -9.216 1.00 0.00 H new ATOM 0 HE2 HIS A 42 24.375 9.190 -8.146 1.00 0.00 H new ATOM 701 N GLU A 43 22.251 4.057 -6.021 1.00 0.00 N ATOM 702 CA GLU A 43 22.773 4.200 -4.666 1.00 0.00 C ATOM 703 C GLU A 43 23.243 2.855 -4.122 1.00 0.00 C ATOM 704 O GLU A 43 24.174 2.788 -3.323 1.00 0.00 O ATOM 705 CB GLU A 43 21.704 4.781 -3.739 1.00 0.00 C ATOM 706 CG GLU A 43 21.268 6.189 -4.110 1.00 0.00 C ATOM 707 CD GLU A 43 22.394 7.195 -4.000 1.00 0.00 C ATOM 708 OE1 GLU A 43 22.578 7.770 -2.903 1.00 0.00 O ATOM 709 OE2 GLU A 43 23.096 7.421 -5.003 1.00 0.00 O ATOM 0 H GLU A 43 21.240 3.931 -6.073 1.00 0.00 H new ATOM 0 HA GLU A 43 23.623 4.881 -4.705 1.00 0.00 H new ATOM 0 HB2 GLU A 43 20.833 4.126 -3.750 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.086 4.786 -2.718 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.884 6.189 -5.130 1.00 0.00 H new ATOM 0 HG3 GLU A 43 20.448 6.495 -3.460 1.00 0.00 H new ATOM 716 N ALA A 44 22.589 1.790 -4.568 1.00 0.00 N ATOM 717 CA ALA A 44 22.866 0.449 -4.072 1.00 0.00 C ATOM 718 C ALA A 44 24.062 -0.183 -4.775 1.00 0.00 C ATOM 719 O ALA A 44 24.935 -0.768 -4.134 1.00 0.00 O ATOM 720 CB ALA A 44 21.633 -0.425 -4.245 1.00 0.00 C ATOM 0 H ALA A 44 21.858 1.831 -5.278 1.00 0.00 H new ATOM 0 HA ALA A 44 23.116 0.528 -3.014 1.00 0.00 H new ATOM 0 HB1 ALA A 44 21.843 -1.428 -3.873 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.802 0.003 -3.685 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.370 -0.477 -5.301 1.00 0.00 H new ATOM 726 N THR A 45 24.093 -0.087 -6.095 1.00 0.00 N ATOM 727 CA THR A 45 25.158 -0.699 -6.873 1.00 0.00 C ATOM 728 C THR A 45 26.229 0.329 -7.211 1.00 0.00 C ATOM 729 O THR A 45 27.426 0.036 -7.184 1.00 0.00 O ATOM 730 CB THR A 45 24.614 -1.313 -8.181 1.00 0.00 C ATOM 731 OG1 THR A 45 24.427 -0.299 -9.172 1.00 0.00 O ATOM 732 CG2 THR A 45 23.279 -1.990 -7.940 1.00 0.00 C ATOM 0 H THR A 45 23.394 0.408 -6.649 1.00 0.00 H new ATOM 0 HA THR A 45 25.592 -1.493 -6.266 1.00 0.00 H new ATOM 0 HB THR A 45 25.344 -2.044 -8.528 1.00 0.00 H new ATOM 0 HG1 THR A 45 23.742 0.332 -8.869 1.00 0.00 H new ATOM 0 HG21 THR A 45 22.913 -2.416 -8.874 1.00 0.00 H new ATOM 0 HG22 THR A 45 23.401 -2.783 -7.203 1.00 0.00 H new ATOM 0 HG23 THR A 45 22.561 -1.258 -7.570 1.00 0.00 H new ATOM 740 N GLY A 46 25.781 1.528 -7.550 1.00 0.00 N ATOM 741 CA GLY A 46 26.686 2.595 -7.900 1.00 0.00 C ATOM 742 C GLY A 46 26.450 3.097 -9.306 1.00 0.00 C ATOM 743 O GLY A 46 26.889 4.186 -9.669 1.00 0.00 O ATOM 0 H GLY A 46 24.793 1.780 -7.588 1.00 0.00 H new ATOM 0 HA2 GLY A 46 26.566 3.418 -7.196 1.00 0.00 H new ATOM 0 HA3 GLY A 46 27.714 2.244 -7.808 1.00 0.00 H new ATOM 747 N MET A 47 25.725 2.311 -10.094 1.00 0.00 N ATOM 748 CA MET A 47 25.510 2.632 -11.499 1.00 0.00 C ATOM 749 C MET A 47 24.375 3.642 -11.675 1.00 0.00 C ATOM 750 O MET A 47 23.227 3.387 -11.309 1.00 0.00 O ATOM 751 CB MET A 47 25.232 1.355 -12.299 1.00 0.00 C ATOM 752 CG MET A 47 23.903 0.694 -11.974 1.00 0.00 C ATOM 753 SD MET A 47 23.837 -1.050 -12.433 1.00 0.00 S ATOM 754 CE MET A 47 23.867 -0.959 -14.223 1.00 0.00 C ATOM 0 H MET A 47 25.277 1.449 -9.784 1.00 0.00 H new ATOM 0 HA MET A 47 26.420 3.093 -11.883 1.00 0.00 H new ATOM 0 HB2 MET A 47 25.256 1.593 -13.362 1.00 0.00 H new ATOM 0 HB3 MET A 47 26.035 0.641 -12.114 1.00 0.00 H new ATOM 0 HG2 MET A 47 23.711 0.788 -10.905 1.00 0.00 H new ATOM 0 HG3 MET A 47 23.105 1.228 -12.489 1.00 0.00 H new ATOM 0 HE1 MET A 47 24.582 -1.684 -14.612 1.00 0.00 H new ATOM 0 HE2 MET A 47 22.875 -1.182 -14.615 1.00 0.00 H new ATOM 0 HE3 MET A 47 24.162 0.044 -14.531 1.00 0.00 H new ATOM 764 N PRO A 48 24.700 4.823 -12.205 1.00 0.00 N ATOM 765 CA PRO A 48 23.706 5.850 -12.508 1.00 0.00 C ATOM 766 C PRO A 48 22.775 5.424 -13.638 1.00 0.00 C ATOM 767 O PRO A 48 23.114 4.549 -14.441 1.00 0.00 O ATOM 768 CB PRO A 48 24.541 7.065 -12.922 1.00 0.00 C ATOM 769 CG PRO A 48 25.880 6.530 -13.293 1.00 0.00 C ATOM 770 CD PRO A 48 26.069 5.252 -12.526 1.00 0.00 C ATOM 0 HA PRO A 48 23.055 6.050 -11.657 1.00 0.00 H new ATOM 0 HB2 PRO A 48 24.082 7.587 -13.762 1.00 0.00 H new ATOM 0 HB3 PRO A 48 24.619 7.782 -12.105 1.00 0.00 H new ATOM 0 HG2 PRO A 48 25.939 6.348 -14.366 1.00 0.00 H new ATOM 0 HG3 PRO A 48 26.664 7.247 -13.047 1.00 0.00 H new ATOM 0 HD2 PRO A 48 26.593 4.503 -13.121 1.00 0.00 H new ATOM 0 HD3 PRO A 48 26.659 5.412 -11.624 1.00 0.00 H new ATOM 778 N ALA A 49 21.606 6.057 -13.703 1.00 0.00 N ATOM 779 CA ALA A 49 20.591 5.719 -14.701 1.00 0.00 C ATOM 780 C ALA A 49 21.071 6.034 -16.113 1.00 0.00 C ATOM 781 O ALA A 49 20.471 5.600 -17.098 1.00 0.00 O ATOM 782 CB ALA A 49 19.303 6.465 -14.407 1.00 0.00 C ATOM 0 H ALA A 49 21.336 6.812 -13.072 1.00 0.00 H new ATOM 0 HA ALA A 49 20.407 4.646 -14.643 1.00 0.00 H new ATOM 0 HB1 ALA A 49 18.554 6.207 -15.155 1.00 0.00 H new ATOM 0 HB2 ALA A 49 18.939 6.187 -13.418 1.00 0.00 H new ATOM 0 HB3 ALA A 49 19.490 7.539 -14.436 1.00 0.00 H new ATOM 788 N GLY A 50 22.156 6.795 -16.195 1.00 0.00 N ATOM 789 CA GLY A 50 22.751 7.139 -17.469 1.00 0.00 C ATOM 790 C GLY A 50 23.106 5.927 -18.301 1.00 0.00 C ATOM 791 O GLY A 50 23.111 5.987 -19.526 1.00 0.00 O ATOM 0 H GLY A 50 22.640 7.185 -15.386 1.00 0.00 H new ATOM 0 HA2 GLY A 50 22.059 7.768 -18.029 1.00 0.00 H new ATOM 0 HA3 GLY A 50 23.650 7.730 -17.296 1.00 0.00 H new ATOM 795 N LYS A 51 23.412 4.822 -17.637 1.00 0.00 N ATOM 796 CA LYS A 51 23.800 3.609 -18.342 1.00 0.00 C ATOM 797 C LYS A 51 23.042 2.407 -17.798 1.00 0.00 C ATOM 798 O LYS A 51 23.195 1.291 -18.281 1.00 0.00 O ATOM 799 CB LYS A 51 25.309 3.343 -18.240 1.00 0.00 C ATOM 800 CG LYS A 51 26.141 4.474 -17.634 1.00 0.00 C ATOM 801 CD LYS A 51 25.951 4.575 -16.125 1.00 0.00 C ATOM 802 CE LYS A 51 26.044 3.219 -15.454 1.00 0.00 C ATOM 803 NZ LYS A 51 27.349 2.552 -15.720 1.00 0.00 N ATOM 0 H LYS A 51 23.400 4.740 -16.620 1.00 0.00 H new ATOM 0 HA LYS A 51 23.548 3.759 -19.392 1.00 0.00 H new ATOM 0 HB2 LYS A 51 25.461 2.444 -17.643 1.00 0.00 H new ATOM 0 HB3 LYS A 51 25.690 3.131 -19.239 1.00 0.00 H new ATOM 0 HG2 LYS A 51 27.195 4.309 -17.857 1.00 0.00 H new ATOM 0 HG3 LYS A 51 25.862 5.419 -18.099 1.00 0.00 H new ATOM 0 HD2 LYS A 51 26.707 5.240 -15.707 1.00 0.00 H new ATOM 0 HD3 LYS A 51 24.980 5.021 -15.910 1.00 0.00 H new ATOM 0 HE2 LYS A 51 25.910 3.337 -14.379 1.00 0.00 H new ATOM 0 HE3 LYS A 51 25.233 2.583 -15.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 27.390 1.651 -15.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 27.444 2.370 -16.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 28.125 3.169 -15.405 1.00 0.00 H new ATOM 817 N GLN A 52 22.236 2.640 -16.786 1.00 0.00 N ATOM 818 CA GLN A 52 21.453 1.587 -16.173 1.00 0.00 C ATOM 819 C GLN A 52 20.050 1.560 -16.782 1.00 0.00 C ATOM 820 O GLN A 52 19.319 2.548 -16.738 1.00 0.00 O ATOM 821 CB GLN A 52 21.467 1.808 -14.658 1.00 0.00 C ATOM 822 CG GLN A 52 20.206 1.430 -13.904 1.00 0.00 C ATOM 823 CD GLN A 52 19.387 2.637 -13.504 1.00 0.00 C ATOM 824 OE1 GLN A 52 18.392 2.976 -14.138 1.00 0.00 O ATOM 825 NE2 GLN A 52 19.865 3.343 -12.497 1.00 0.00 N ATOM 0 H GLN A 52 22.104 3.560 -16.365 1.00 0.00 H new ATOM 0 HA GLN A 52 21.877 0.602 -16.367 1.00 0.00 H new ATOM 0 HB2 GLN A 52 22.298 1.240 -14.239 1.00 0.00 H new ATOM 0 HB3 GLN A 52 21.674 2.861 -14.469 1.00 0.00 H new ATOM 0 HG2 GLN A 52 19.598 0.772 -14.525 1.00 0.00 H new ATOM 0 HG3 GLN A 52 20.476 0.866 -13.011 1.00 0.00 H new ATOM 0 HE21 GLN A 52 20.695 3.023 -11.998 1.00 0.00 H new ATOM 0 HE22 GLN A 52 19.404 4.209 -12.217 1.00 0.00 H new ATOM 834 N LYS A 53 19.721 0.445 -17.422 1.00 0.00 N ATOM 835 CA LYS A 53 18.433 0.281 -18.080 1.00 0.00 C ATOM 836 C LYS A 53 17.527 -0.613 -17.256 1.00 0.00 C ATOM 837 O LYS A 53 17.971 -1.616 -16.695 1.00 0.00 O ATOM 838 CB LYS A 53 18.608 -0.332 -19.473 1.00 0.00 C ATOM 839 CG LYS A 53 19.454 0.489 -20.439 1.00 0.00 C ATOM 840 CD LYS A 53 18.671 1.635 -21.071 1.00 0.00 C ATOM 841 CE LYS A 53 18.550 2.835 -20.143 1.00 0.00 C ATOM 842 NZ LYS A 53 17.837 3.969 -20.786 1.00 0.00 N ATOM 0 H LYS A 53 20.335 -0.365 -17.499 1.00 0.00 H new ATOM 0 HA LYS A 53 17.981 1.268 -18.177 1.00 0.00 H new ATOM 0 HB2 LYS A 53 19.061 -1.317 -19.365 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.622 -0.481 -19.914 1.00 0.00 H new ATOM 0 HG2 LYS A 53 20.317 0.892 -19.909 1.00 0.00 H new ATOM 0 HG3 LYS A 53 19.837 -0.162 -21.225 1.00 0.00 H new ATOM 0 HD2 LYS A 53 19.162 1.941 -21.995 1.00 0.00 H new ATOM 0 HD3 LYS A 53 17.674 1.285 -21.341 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.020 2.540 -19.237 1.00 0.00 H new ATOM 0 HE3 LYS A 53 19.545 3.159 -19.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 17.777 4.765 -20.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 18.356 4.268 -21.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 16.878 3.669 -21.054 1.00 0.00 H new ATOM 856 N LEU A 54 16.258 -0.251 -17.194 1.00 0.00 N ATOM 857 CA LEU A 54 15.287 -1.020 -16.437 1.00 0.00 C ATOM 858 C LEU A 54 14.186 -1.511 -17.367 1.00 0.00 C ATOM 859 O LEU A 54 13.485 -0.719 -17.994 1.00 0.00 O ATOM 860 CB LEU A 54 14.698 -0.170 -15.310 1.00 0.00 C ATOM 861 CG LEU A 54 15.716 0.626 -14.492 1.00 0.00 C ATOM 862 CD1 LEU A 54 15.018 1.444 -13.424 1.00 0.00 C ATOM 863 CD2 LEU A 54 16.741 -0.304 -13.869 1.00 0.00 C ATOM 0 H LEU A 54 15.876 0.572 -17.660 1.00 0.00 H new ATOM 0 HA LEU A 54 15.783 -1.882 -15.990 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.978 0.526 -15.740 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.145 -0.823 -14.635 1.00 0.00 H new ATOM 0 HG LEU A 54 16.236 1.311 -15.162 1.00 0.00 H new ATOM 0 HD11 LEU A 54 15.758 2.003 -12.852 1.00 0.00 H new ATOM 0 HD12 LEU A 54 14.322 2.139 -13.894 1.00 0.00 H new ATOM 0 HD13 LEU A 54 14.471 0.779 -12.756 1.00 0.00 H new ATOM 0 HD21 LEU A 54 17.457 0.279 -13.291 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.237 -1.014 -13.213 1.00 0.00 H new ATOM 0 HD23 LEU A 54 17.266 -0.846 -14.656 1.00 0.00 H new ATOM 875 N GLN A 55 14.050 -2.819 -17.464 1.00 0.00 N ATOM 876 CA GLN A 55 13.100 -3.424 -18.379 1.00 0.00 C ATOM 877 C GLN A 55 11.979 -4.133 -17.625 1.00 0.00 C ATOM 878 O GLN A 55 12.212 -5.097 -16.907 1.00 0.00 O ATOM 879 CB GLN A 55 13.836 -4.406 -19.282 1.00 0.00 C ATOM 880 CG GLN A 55 12.927 -5.331 -20.062 1.00 0.00 C ATOM 881 CD GLN A 55 13.689 -6.368 -20.858 1.00 0.00 C ATOM 882 OE1 GLN A 55 13.991 -7.449 -20.359 1.00 0.00 O ATOM 883 NE2 GLN A 55 13.990 -6.049 -22.103 1.00 0.00 N ATOM 0 H GLN A 55 14.590 -3.489 -16.916 1.00 0.00 H new ATOM 0 HA GLN A 55 12.643 -2.639 -18.982 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.453 -3.845 -19.983 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.511 -5.007 -18.673 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.250 -5.835 -19.372 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.310 -4.741 -20.740 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.719 -5.139 -22.476 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.493 -6.712 -22.692 1.00 0.00 H new ATOM 892 N TYR A 56 10.761 -3.665 -17.808 1.00 0.00 N ATOM 893 CA TYR A 56 9.610 -4.255 -17.147 1.00 0.00 C ATOM 894 C TYR A 56 8.843 -5.117 -18.113 1.00 0.00 C ATOM 895 O TYR A 56 8.215 -4.620 -19.038 1.00 0.00 O ATOM 896 CB TYR A 56 8.718 -3.164 -16.554 1.00 0.00 C ATOM 897 CG TYR A 56 7.370 -3.645 -16.044 1.00 0.00 C ATOM 898 CD1 TYR A 56 7.267 -4.768 -15.234 1.00 0.00 C ATOM 899 CD2 TYR A 56 6.198 -2.968 -16.371 1.00 0.00 C ATOM 900 CE1 TYR A 56 6.043 -5.203 -14.764 1.00 0.00 C ATOM 901 CE2 TYR A 56 4.969 -3.397 -15.905 1.00 0.00 C ATOM 902 CZ TYR A 56 4.896 -4.515 -15.103 1.00 0.00 C ATOM 903 OH TYR A 56 3.675 -4.942 -14.629 1.00 0.00 O ATOM 0 H TYR A 56 10.540 -2.873 -18.412 1.00 0.00 H new ATOM 0 HA TYR A 56 9.957 -4.886 -16.329 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.251 -2.686 -15.732 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.551 -2.400 -17.313 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.161 -5.312 -14.966 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.250 -2.092 -17.000 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.984 -6.078 -14.134 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.071 -2.858 -16.168 1.00 0.00 H new ATOM 0 HH TYR A 56 2.970 -4.347 -14.960 1.00 0.00 H new ATOM 913 N GLU A 57 8.950 -6.420 -17.903 1.00 0.00 N ATOM 914 CA GLU A 57 8.276 -7.403 -18.732 1.00 0.00 C ATOM 915 C GLU A 57 8.664 -7.252 -20.199 1.00 0.00 C ATOM 916 O GLU A 57 7.887 -7.565 -21.104 1.00 0.00 O ATOM 917 CB GLU A 57 6.769 -7.273 -18.546 1.00 0.00 C ATOM 918 CG GLU A 57 6.321 -7.702 -17.165 1.00 0.00 C ATOM 919 CD GLU A 57 6.559 -9.180 -16.920 1.00 0.00 C ATOM 920 OE1 GLU A 57 7.720 -9.564 -16.658 1.00 0.00 O ATOM 921 OE2 GLU A 57 5.598 -9.971 -17.017 1.00 0.00 O ATOM 0 H GLU A 57 9.508 -6.825 -17.151 1.00 0.00 H new ATOM 0 HA GLU A 57 8.589 -8.400 -18.421 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.472 -6.238 -18.717 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.259 -7.879 -19.295 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.856 -7.120 -16.414 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.260 -7.481 -17.044 1.00 0.00 H new ATOM 928 N GLY A 58 9.889 -6.793 -20.421 1.00 0.00 N ATOM 929 CA GLY A 58 10.393 -6.643 -21.770 1.00 0.00 C ATOM 930 C GLY A 58 10.148 -5.254 -22.317 1.00 0.00 C ATOM 931 O GLY A 58 10.101 -5.055 -23.530 1.00 0.00 O ATOM 0 H GLY A 58 10.544 -6.521 -19.687 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.462 -6.854 -21.783 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.916 -7.377 -22.419 1.00 0.00 H new ATOM 935 N ILE A 59 9.996 -4.294 -21.416 1.00 0.00 N ATOM 936 CA ILE A 59 9.737 -2.918 -21.791 1.00 0.00 C ATOM 937 C ILE A 59 10.762 -2.019 -21.128 1.00 0.00 C ATOM 938 O ILE A 59 10.828 -1.955 -19.902 1.00 0.00 O ATOM 939 CB ILE A 59 8.321 -2.481 -21.357 1.00 0.00 C ATOM 940 CG1 ILE A 59 7.287 -3.549 -21.739 1.00 0.00 C ATOM 941 CG2 ILE A 59 7.968 -1.144 -21.989 1.00 0.00 C ATOM 942 CD1 ILE A 59 5.916 -3.316 -21.141 1.00 0.00 C ATOM 0 H ILE A 59 10.049 -4.449 -20.409 1.00 0.00 H new ATOM 0 HA ILE A 59 9.806 -2.837 -22.876 1.00 0.00 H new ATOM 0 HB ILE A 59 8.308 -2.367 -20.273 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.198 -3.583 -22.825 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.652 -4.525 -21.418 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.967 -0.846 -21.676 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.687 -0.390 -21.670 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.996 -1.236 -23.075 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.241 -4.112 -21.457 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.989 -3.312 -20.053 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.529 -2.356 -21.482 1.00 0.00 H new ATOM 954 N PHE A 60 11.582 -1.357 -21.927 1.00 0.00 N ATOM 955 CA PHE A 60 12.585 -0.452 -21.391 1.00 0.00 C ATOM 956 C PHE A 60 11.925 0.809 -20.855 1.00 0.00 C ATOM 957 O PHE A 60 11.612 1.738 -21.601 1.00 0.00 O ATOM 958 CB PHE A 60 13.634 -0.104 -22.446 1.00 0.00 C ATOM 959 CG PHE A 60 14.501 -1.267 -22.832 1.00 0.00 C ATOM 960 CD1 PHE A 60 14.964 -2.151 -21.871 1.00 0.00 C ATOM 961 CD2 PHE A 60 14.863 -1.468 -24.153 1.00 0.00 C ATOM 962 CE1 PHE A 60 15.772 -3.217 -22.224 1.00 0.00 C ATOM 963 CE2 PHE A 60 15.667 -2.532 -24.512 1.00 0.00 C ATOM 964 CZ PHE A 60 16.123 -3.407 -23.547 1.00 0.00 C ATOM 0 H PHE A 60 11.573 -1.428 -22.944 1.00 0.00 H new ATOM 0 HA PHE A 60 13.093 -0.957 -20.569 1.00 0.00 H new ATOM 0 HB2 PHE A 60 13.132 0.276 -23.336 1.00 0.00 H new ATOM 0 HB3 PHE A 60 14.265 0.700 -22.068 1.00 0.00 H new ATOM 0 HD1 PHE A 60 14.691 -2.006 -20.836 1.00 0.00 H new ATOM 0 HD2 PHE A 60 14.512 -0.784 -24.912 1.00 0.00 H new ATOM 0 HE1 PHE A 60 16.128 -3.900 -21.467 1.00 0.00 H new ATOM 0 HE2 PHE A 60 15.939 -2.679 -25.547 1.00 0.00 H new ATOM 0 HZ PHE A 60 16.753 -4.239 -23.825 1.00 0.00 H new ATOM 974 N ILE A 61 11.680 0.813 -19.560 1.00 0.00 N ATOM 975 CA ILE A 61 11.010 1.935 -18.917 1.00 0.00 C ATOM 976 C ILE A 61 11.995 3.071 -18.659 1.00 0.00 C ATOM 977 O ILE A 61 13.194 2.842 -18.482 1.00 0.00 O ATOM 978 CB ILE A 61 10.328 1.502 -17.599 1.00 0.00 C ATOM 979 CG1 ILE A 61 11.352 1.382 -16.460 1.00 0.00 C ATOM 980 CG2 ILE A 61 9.584 0.191 -17.813 1.00 0.00 C ATOM 981 CD1 ILE A 61 11.098 0.233 -15.507 1.00 0.00 C ATOM 0 H ILE A 61 11.933 0.053 -18.928 1.00 0.00 H new ATOM 0 HA ILE A 61 10.234 2.292 -19.594 1.00 0.00 H new ATOM 0 HB ILE A 61 9.609 2.267 -17.307 1.00 0.00 H new ATOM 0 HG12 ILE A 61 12.346 1.266 -16.892 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.357 2.313 -15.893 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.104 -0.111 -16.882 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.826 0.325 -18.585 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.288 -0.580 -18.126 1.00 0.00 H new ATOM 0 HD11 ILE A 61 11.868 0.223 -14.735 1.00 0.00 H new ATOM 0 HD12 ILE A 61 10.120 0.355 -15.042 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.123 -0.708 -16.057 1.00 0.00 H new ATOM 993 N LYS A 62 11.496 4.296 -18.664 1.00 0.00 N ATOM 994 CA LYS A 62 12.344 5.453 -18.437 1.00 0.00 C ATOM 995 C LYS A 62 11.903 6.221 -17.197 1.00 0.00 C ATOM 996 O LYS A 62 10.783 6.048 -16.716 1.00 0.00 O ATOM 997 CB LYS A 62 12.366 6.379 -19.663 1.00 0.00 C ATOM 998 CG LYS A 62 10.999 6.872 -20.117 1.00 0.00 C ATOM 999 CD LYS A 62 10.511 6.131 -21.358 1.00 0.00 C ATOM 1000 CE LYS A 62 9.202 6.704 -21.892 1.00 0.00 C ATOM 1001 NZ LYS A 62 9.391 7.995 -22.608 1.00 0.00 N ATOM 0 H LYS A 62 10.512 4.514 -18.822 1.00 0.00 H new ATOM 0 HA LYS A 62 13.357 5.087 -18.271 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.991 7.243 -19.437 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.839 5.851 -20.491 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.279 6.741 -19.309 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.050 7.940 -20.328 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.273 6.185 -22.135 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.374 5.076 -21.119 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.743 5.982 -22.567 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.509 6.851 -21.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.471 8.340 -22.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.804 8.695 -21.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.030 7.853 -23.416 1.00 0.00 H new ATOM 1015 N ASP A 63 12.804 7.065 -16.696 1.00 0.00 N ATOM 1016 CA ASP A 63 12.561 7.912 -15.517 1.00 0.00 C ATOM 1017 C ASP A 63 11.295 8.751 -15.690 1.00 0.00 C ATOM 1018 O ASP A 63 10.624 9.096 -14.718 1.00 0.00 O ATOM 1019 CB ASP A 63 13.781 8.830 -15.321 1.00 0.00 C ATOM 1020 CG ASP A 63 13.622 9.859 -14.210 1.00 0.00 C ATOM 1021 OD1 ASP A 63 12.894 10.850 -14.402 1.00 0.00 O ATOM 1022 OD2 ASP A 63 14.262 9.702 -13.151 1.00 0.00 O ATOM 0 H ASP A 63 13.734 7.185 -17.097 1.00 0.00 H new ATOM 0 HA ASP A 63 12.417 7.278 -14.642 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.654 8.213 -15.106 1.00 0.00 H new ATOM 0 HB3 ASP A 63 13.982 9.352 -16.257 1.00 0.00 H new ATOM 1027 N SER A 64 10.972 9.042 -16.941 1.00 0.00 N ATOM 1028 CA SER A 64 9.842 9.892 -17.286 1.00 0.00 C ATOM 1029 C SER A 64 8.506 9.187 -17.043 1.00 0.00 C ATOM 1030 O SER A 64 7.438 9.772 -17.247 1.00 0.00 O ATOM 1031 CB SER A 64 9.958 10.285 -18.755 1.00 0.00 C ATOM 1032 OG SER A 64 11.321 10.438 -19.126 1.00 0.00 O ATOM 0 H SER A 64 11.488 8.694 -17.749 1.00 0.00 H new ATOM 0 HA SER A 64 9.865 10.776 -16.649 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.489 9.524 -19.379 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.421 11.217 -18.931 1.00 0.00 H new ATOM 0 HG SER A 64 11.376 10.688 -20.072 1.00 0.00 H new ATOM 1038 N ASN A 65 8.564 7.934 -16.608 1.00 0.00 N ATOM 1039 CA ASN A 65 7.367 7.151 -16.387 1.00 0.00 C ATOM 1040 C ASN A 65 7.226 6.806 -14.921 1.00 0.00 C ATOM 1041 O ASN A 65 8.162 6.960 -14.137 1.00 0.00 O ATOM 1042 CB ASN A 65 7.403 5.857 -17.195 1.00 0.00 C ATOM 1043 CG ASN A 65 7.502 6.081 -18.686 1.00 0.00 C ATOM 1044 OD1 ASN A 65 7.051 7.092 -19.214 1.00 0.00 O ATOM 1045 ND2 ASN A 65 8.090 5.122 -19.377 1.00 0.00 N ATOM 0 H ASN A 65 9.434 7.442 -16.402 1.00 0.00 H new ATOM 0 HA ASN A 65 6.517 7.752 -16.709 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.253 5.257 -16.868 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.504 5.279 -16.981 1.00 0.00 H new ATOM 0 HD21 ASN A 65 8.183 5.206 -20.389 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.452 4.297 -18.899 1.00 0.00 H new ATOM 1052 N SER A 66 6.068 6.298 -14.563 1.00 0.00 N ATOM 1053 CA SER A 66 5.796 5.924 -13.203 1.00 0.00 C ATOM 1054 C SER A 66 5.336 4.479 -13.162 1.00 0.00 C ATOM 1055 O SER A 66 5.127 3.858 -14.207 1.00 0.00 O ATOM 1056 CB SER A 66 4.739 6.855 -12.612 1.00 0.00 C ATOM 1057 OG SER A 66 3.507 6.740 -13.304 1.00 0.00 O ATOM 0 H SER A 66 5.294 6.135 -15.207 1.00 0.00 H new ATOM 0 HA SER A 66 6.702 6.017 -12.604 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.590 6.618 -11.559 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.091 7.885 -12.660 1.00 0.00 H new ATOM 0 HG SER A 66 2.849 7.346 -12.903 1.00 0.00 H new ATOM 1063 N LEU A 67 5.181 3.946 -11.969 1.00 0.00 N ATOM 1064 CA LEU A 67 4.742 2.575 -11.810 1.00 0.00 C ATOM 1065 C LEU A 67 3.294 2.445 -12.268 1.00 0.00 C ATOM 1066 O LEU A 67 2.932 1.497 -12.963 1.00 0.00 O ATOM 1067 CB LEU A 67 4.889 2.161 -10.351 1.00 0.00 C ATOM 1068 CG LEU A 67 6.209 2.591 -9.702 1.00 0.00 C ATOM 1069 CD1 LEU A 67 6.185 2.342 -8.209 1.00 0.00 C ATOM 1070 CD2 LEU A 67 7.385 1.871 -10.342 1.00 0.00 C ATOM 0 H LEU A 67 5.352 4.441 -11.094 1.00 0.00 H new ATOM 0 HA LEU A 67 5.357 1.916 -12.422 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.063 2.585 -9.781 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.801 1.077 -10.283 1.00 0.00 H new ATOM 0 HG LEU A 67 6.330 3.662 -9.867 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.133 2.656 -7.773 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.372 2.911 -7.758 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.032 1.279 -8.020 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.311 2.192 -9.865 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.266 0.795 -10.215 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.423 2.109 -11.405 1.00 0.00 H new ATOM 1082 N ALA A 68 2.478 3.422 -11.881 1.00 0.00 N ATOM 1083 CA ALA A 68 1.087 3.490 -12.312 1.00 0.00 C ATOM 1084 C ALA A 68 0.984 3.600 -13.830 1.00 0.00 C ATOM 1085 O ALA A 68 0.056 3.066 -14.436 1.00 0.00 O ATOM 1086 CB ALA A 68 0.388 4.671 -11.651 1.00 0.00 C ATOM 0 H ALA A 68 2.761 4.183 -11.264 1.00 0.00 H new ATOM 0 HA ALA A 68 0.594 2.567 -12.006 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.650 4.711 -11.981 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.420 4.553 -10.568 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.893 5.596 -11.930 1.00 0.00 H new ATOM 1092 N TYR A 69 1.951 4.285 -14.434 1.00 0.00 N ATOM 1093 CA TYR A 69 1.992 4.471 -15.881 1.00 0.00 C ATOM 1094 C TYR A 69 2.046 3.127 -16.610 1.00 0.00 C ATOM 1095 O TYR A 69 1.333 2.910 -17.588 1.00 0.00 O ATOM 1096 CB TYR A 69 3.204 5.331 -16.256 1.00 0.00 C ATOM 1097 CG TYR A 69 3.384 5.546 -17.742 1.00 0.00 C ATOM 1098 CD1 TYR A 69 2.766 6.606 -18.390 1.00 0.00 C ATOM 1099 CD2 TYR A 69 4.185 4.694 -18.490 1.00 0.00 C ATOM 1100 CE1 TYR A 69 2.940 6.810 -19.744 1.00 0.00 C ATOM 1101 CE2 TYR A 69 4.363 4.889 -19.843 1.00 0.00 C ATOM 1102 CZ TYR A 69 3.740 5.948 -20.466 1.00 0.00 C ATOM 1103 OH TYR A 69 3.924 6.157 -21.813 1.00 0.00 O ATOM 0 H TYR A 69 2.725 4.725 -13.937 1.00 0.00 H new ATOM 0 HA TYR A 69 1.079 4.980 -16.190 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.109 6.302 -15.770 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.104 4.862 -15.858 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.139 7.282 -17.826 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.677 3.865 -18.004 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.453 7.639 -20.235 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.987 4.215 -20.411 1.00 0.00 H new ATOM 0 HH TYR A 69 4.515 5.463 -22.174 1.00 0.00 H new ATOM 1113 N TYR A 70 2.889 2.223 -16.129 1.00 0.00 N ATOM 1114 CA TYR A 70 3.011 0.905 -16.748 1.00 0.00 C ATOM 1115 C TYR A 70 2.126 -0.122 -16.060 1.00 0.00 C ATOM 1116 O TYR A 70 2.179 -1.304 -16.390 1.00 0.00 O ATOM 1117 CB TYR A 70 4.461 0.427 -16.739 1.00 0.00 C ATOM 1118 CG TYR A 70 5.293 1.000 -17.856 1.00 0.00 C ATOM 1119 CD1 TYR A 70 4.998 0.707 -19.182 1.00 0.00 C ATOM 1120 CD2 TYR A 70 6.373 1.827 -17.591 1.00 0.00 C ATOM 1121 CE1 TYR A 70 5.761 1.220 -20.212 1.00 0.00 C ATOM 1122 CE2 TYR A 70 7.139 2.344 -18.616 1.00 0.00 C ATOM 1123 CZ TYR A 70 6.829 2.042 -19.923 1.00 0.00 C ATOM 1124 OH TYR A 70 7.602 2.553 -20.944 1.00 0.00 O ATOM 0 H TYR A 70 3.493 2.373 -15.321 1.00 0.00 H new ATOM 0 HA TYR A 70 2.678 1.006 -17.781 1.00 0.00 H new ATOM 0 HB2 TYR A 70 4.916 0.693 -15.785 1.00 0.00 H new ATOM 0 HB3 TYR A 70 4.476 -0.661 -16.807 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.158 0.068 -19.411 1.00 0.00 H new ATOM 0 HD2 TYR A 70 6.619 2.070 -16.568 1.00 0.00 H new ATOM 0 HE1 TYR A 70 5.523 0.979 -21.237 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.980 2.984 -18.393 1.00 0.00 H new ATOM 0 HH TYR A 70 7.052 2.662 -21.748 1.00 0.00 H new ATOM 1134 N ASN A 71 1.316 0.342 -15.110 1.00 0.00 N ATOM 1135 CA ASN A 71 0.393 -0.531 -14.381 1.00 0.00 C ATOM 1136 C ASN A 71 1.152 -1.618 -13.632 1.00 0.00 C ATOM 1137 O ASN A 71 0.750 -2.782 -13.638 1.00 0.00 O ATOM 1138 CB ASN A 71 -0.627 -1.179 -15.332 1.00 0.00 C ATOM 1139 CG ASN A 71 -1.745 -0.244 -15.767 1.00 0.00 C ATOM 1140 OD1 ASN A 71 -2.854 -0.690 -16.058 1.00 0.00 O ATOM 1141 ND2 ASN A 71 -1.473 1.051 -15.824 1.00 0.00 N ATOM 0 H ASN A 71 1.279 1.321 -14.825 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.143 0.090 -13.663 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.104 -1.541 -16.217 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.064 -2.049 -14.842 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.194 1.711 -16.116 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.543 1.388 -15.576 1.00 0.00 H new ATOM 1148 N MET A 72 2.252 -1.234 -12.987 1.00 0.00 N ATOM 1149 CA MET A 72 3.048 -2.174 -12.213 1.00 0.00 C ATOM 1150 C MET A 72 2.295 -2.622 -10.969 1.00 0.00 C ATOM 1151 O MET A 72 2.438 -2.039 -9.899 1.00 0.00 O ATOM 1152 CB MET A 72 4.388 -1.554 -11.809 1.00 0.00 C ATOM 1153 CG MET A 72 5.294 -1.247 -12.983 1.00 0.00 C ATOM 1154 SD MET A 72 6.921 -0.671 -12.467 1.00 0.00 S ATOM 1155 CE MET A 72 7.761 -0.562 -14.040 1.00 0.00 C ATOM 0 H MET A 72 2.609 -0.279 -12.987 1.00 0.00 H new ATOM 0 HA MET A 72 3.239 -3.042 -12.843 1.00 0.00 H new ATOM 0 HB2 MET A 72 4.201 -0.634 -11.255 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.904 -2.234 -11.131 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.406 -2.142 -13.595 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.826 -0.489 -13.610 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.719 -1.078 -13.977 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.148 -1.026 -14.813 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.929 0.485 -14.291 1.00 0.00 H new ATOM 1165 N ALA A 73 1.456 -3.632 -11.135 1.00 0.00 N ATOM 1166 CA ALA A 73 0.708 -4.197 -10.026 1.00 0.00 C ATOM 1167 C ALA A 73 1.616 -5.045 -9.139 1.00 0.00 C ATOM 1168 O ALA A 73 2.824 -5.126 -9.370 1.00 0.00 O ATOM 1169 CB ALA A 73 -0.450 -5.030 -10.552 1.00 0.00 C ATOM 0 H ALA A 73 1.276 -4.079 -12.034 1.00 0.00 H new ATOM 0 HA ALA A 73 0.310 -3.381 -9.422 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.006 -5.450 -9.714 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.111 -4.400 -11.146 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.064 -5.838 -11.173 1.00 0.00 H new ATOM 1175 N ASN A 74 1.029 -5.674 -8.127 1.00 0.00 N ATOM 1176 CA ASN A 74 1.780 -6.516 -7.207 1.00 0.00 C ATOM 1177 C ASN A 74 2.471 -7.639 -7.975 1.00 0.00 C ATOM 1178 O ASN A 74 1.812 -8.494 -8.570 1.00 0.00 O ATOM 1179 CB ASN A 74 0.836 -7.105 -6.151 1.00 0.00 C ATOM 1180 CG ASN A 74 1.562 -7.629 -4.926 1.00 0.00 C ATOM 1181 OD1 ASN A 74 2.011 -8.773 -4.890 1.00 0.00 O ATOM 1182 ND2 ASN A 74 1.660 -6.794 -3.902 1.00 0.00 N ATOM 0 H ASN A 74 0.031 -5.615 -7.924 1.00 0.00 H new ATOM 0 HA ASN A 74 2.537 -5.911 -6.708 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.123 -6.340 -5.843 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.261 -7.915 -6.599 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.122 -7.093 -3.043 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.274 -5.853 -3.973 1.00 0.00 H new ATOM 1189 N GLY A 75 3.796 -7.630 -7.970 1.00 0.00 N ATOM 1190 CA GLY A 75 4.538 -8.632 -8.698 1.00 0.00 C ATOM 1191 C GLY A 75 5.118 -8.102 -9.994 1.00 0.00 C ATOM 1192 O GLY A 75 5.175 -8.819 -10.989 1.00 0.00 O ATOM 0 H GLY A 75 4.368 -6.946 -7.474 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.346 -9.008 -8.070 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.884 -9.476 -8.916 1.00 0.00 H new ATOM 1196 N ALA A 76 5.549 -6.847 -9.987 1.00 0.00 N ATOM 1197 CA ALA A 76 6.167 -6.263 -11.166 1.00 0.00 C ATOM 1198 C ALA A 76 7.629 -6.678 -11.245 1.00 0.00 C ATOM 1199 O ALA A 76 8.431 -6.329 -10.378 1.00 0.00 O ATOM 1200 CB ALA A 76 6.032 -4.751 -11.133 1.00 0.00 C ATOM 0 H ALA A 76 5.482 -6.220 -9.185 1.00 0.00 H new ATOM 0 HA ALA A 76 5.657 -6.630 -12.057 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.499 -4.325 -12.021 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.976 -4.480 -11.112 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.524 -4.361 -10.242 1.00 0.00 H new ATOM 1206 N VAL A 77 7.968 -7.441 -12.270 1.00 0.00 N ATOM 1207 CA VAL A 77 9.328 -7.935 -12.424 1.00 0.00 C ATOM 1208 C VAL A 77 10.118 -7.061 -13.385 1.00 0.00 C ATOM 1209 O VAL A 77 9.913 -7.104 -14.601 1.00 0.00 O ATOM 1210 CB VAL A 77 9.362 -9.388 -12.939 1.00 0.00 C ATOM 1211 CG1 VAL A 77 10.773 -9.949 -12.836 1.00 0.00 C ATOM 1212 CG2 VAL A 77 8.376 -10.261 -12.177 1.00 0.00 C ATOM 0 H VAL A 77 7.324 -7.732 -13.006 1.00 0.00 H new ATOM 0 HA VAL A 77 9.781 -7.903 -11.433 1.00 0.00 H new ATOM 0 HB VAL A 77 9.063 -9.388 -13.987 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.784 -10.975 -13.203 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.451 -9.342 -13.436 1.00 0.00 H new ATOM 0 HG13 VAL A 77 11.096 -9.932 -11.795 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.421 -11.280 -12.561 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.633 -10.260 -11.118 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.367 -9.869 -12.306 1.00 0.00 H new ATOM 1222 N ILE A 78 11.013 -6.256 -12.842 1.00 0.00 N ATOM 1223 CA ILE A 78 11.886 -5.436 -13.666 1.00 0.00 C ATOM 1224 C ILE A 78 13.207 -6.155 -13.862 1.00 0.00 C ATOM 1225 O ILE A 78 13.641 -6.915 -13.003 1.00 0.00 O ATOM 1226 CB ILE A 78 12.157 -4.036 -13.056 1.00 0.00 C ATOM 1227 CG1 ILE A 78 10.886 -3.459 -12.428 1.00 0.00 C ATOM 1228 CG2 ILE A 78 12.697 -3.082 -14.112 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.676 -3.522 -13.319 1.00 0.00 C ATOM 0 H ILE A 78 11.155 -6.152 -11.837 1.00 0.00 H new ATOM 0 HA ILE A 78 11.376 -5.281 -14.617 1.00 0.00 H new ATOM 0 HB ILE A 78 12.908 -4.153 -12.275 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.673 -3.999 -11.505 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.069 -2.420 -12.155 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.880 -2.106 -13.662 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.630 -3.476 -14.515 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.969 -2.980 -14.916 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.819 -3.093 -12.800 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.867 -2.958 -14.232 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.464 -4.561 -13.572 1.00 0.00 H new ATOM 1241 N HIS A 79 13.823 -5.932 -14.999 1.00 0.00 N ATOM 1242 CA HIS A 79 15.094 -6.552 -15.324 1.00 0.00 C ATOM 1243 C HIS A 79 16.126 -5.464 -15.509 1.00 0.00 C ATOM 1244 O HIS A 79 15.987 -4.613 -16.389 1.00 0.00 O ATOM 1245 CB HIS A 79 15.007 -7.395 -16.607 1.00 0.00 C ATOM 1246 CG HIS A 79 14.011 -8.515 -16.552 1.00 0.00 C ATOM 1247 ND1 HIS A 79 14.320 -9.826 -16.852 1.00 0.00 N ATOM 1248 CD2 HIS A 79 12.694 -8.500 -16.261 1.00 0.00 C ATOM 1249 CE1 HIS A 79 13.231 -10.566 -16.751 1.00 0.00 C ATOM 1250 NE2 HIS A 79 12.231 -9.784 -16.392 1.00 0.00 N ATOM 0 H HIS A 79 13.461 -5.317 -15.727 1.00 0.00 H new ATOM 0 HA HIS A 79 15.372 -7.219 -14.508 1.00 0.00 H new ATOM 0 HB2 HIS A 79 14.752 -6.740 -17.440 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.991 -7.812 -16.820 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.112 -7.636 -15.977 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.170 -11.629 -16.931 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.269 -10.086 -16.237 1.00 0.00 H new ATOM 1259 N LEU A 80 17.131 -5.468 -14.663 1.00 0.00 N ATOM 1260 CA LEU A 80 18.188 -4.478 -14.754 1.00 0.00 C ATOM 1261 C LEU A 80 19.235 -4.926 -15.765 1.00 0.00 C ATOM 1262 O LEU A 80 19.661 -6.080 -15.761 1.00 0.00 O ATOM 1263 CB LEU A 80 18.841 -4.239 -13.388 1.00 0.00 C ATOM 1264 CG LEU A 80 20.115 -3.382 -13.416 1.00 0.00 C ATOM 1265 CD1 LEU A 80 19.832 -2.007 -13.994 1.00 0.00 C ATOM 1266 CD2 LEU A 80 20.707 -3.248 -12.029 1.00 0.00 C ATOM 0 H LEU A 80 17.242 -6.142 -13.905 1.00 0.00 H new ATOM 0 HA LEU A 80 17.747 -3.538 -15.086 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.113 -3.759 -12.734 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.081 -5.205 -12.943 1.00 0.00 H new ATOM 0 HG LEU A 80 20.838 -3.887 -14.057 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.750 -1.420 -14.003 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.458 -2.110 -15.013 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.084 -1.502 -13.382 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.608 -2.637 -12.076 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.981 -2.775 -11.368 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.958 -4.236 -11.644 1.00 0.00 H new ATOM 1278 N ALA A 81 19.640 -4.016 -16.627 1.00 0.00 N ATOM 1279 CA ALA A 81 20.630 -4.316 -17.639 1.00 0.00 C ATOM 1280 C ALA A 81 21.457 -3.082 -17.952 1.00 0.00 C ATOM 1281 O ALA A 81 20.989 -1.955 -17.794 1.00 0.00 O ATOM 1282 CB ALA A 81 19.948 -4.837 -18.891 1.00 0.00 C ATOM 0 H ALA A 81 19.295 -3.056 -16.646 1.00 0.00 H new ATOM 0 HA ALA A 81 21.301 -5.087 -17.261 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.699 -5.061 -19.648 1.00 0.00 H new ATOM 0 HB2 ALA A 81 19.392 -5.744 -18.652 1.00 0.00 H new ATOM 0 HB3 ALA A 81 19.262 -4.081 -19.273 1.00 0.00 H new ATOM 1288 N LEU A 82 22.691 -3.290 -18.372 1.00 0.00 N ATOM 1289 CA LEU A 82 23.558 -2.181 -18.729 1.00 0.00 C ATOM 1290 C LEU A 82 23.264 -1.707 -20.152 1.00 0.00 C ATOM 1291 O LEU A 82 22.937 -2.507 -21.032 1.00 0.00 O ATOM 1292 CB LEU A 82 25.026 -2.583 -18.582 1.00 0.00 C ATOM 1293 CG LEU A 82 26.024 -1.426 -18.667 1.00 0.00 C ATOM 1294 CD1 LEU A 82 25.728 -0.383 -17.602 1.00 0.00 C ATOM 1295 CD2 LEU A 82 27.442 -1.938 -18.511 1.00 0.00 C ATOM 0 H LEU A 82 23.115 -4.212 -18.474 1.00 0.00 H new ATOM 0 HA LEU A 82 23.361 -1.353 -18.048 1.00 0.00 H new ATOM 0 HB2 LEU A 82 25.156 -3.085 -17.623 1.00 0.00 H new ATOM 0 HB3 LEU A 82 25.268 -3.310 -19.358 1.00 0.00 H new ATOM 0 HG LEU A 82 25.923 -0.961 -19.648 1.00 0.00 H new ATOM 0 HD11 LEU A 82 26.449 0.431 -17.680 1.00 0.00 H new ATOM 0 HD12 LEU A 82 24.721 0.009 -17.746 1.00 0.00 H new ATOM 0 HD13 LEU A 82 25.801 -0.840 -16.615 1.00 0.00 H new ATOM 0 HD21 LEU A 82 28.139 -1.103 -18.574 1.00 0.00 H new ATOM 0 HD22 LEU A 82 27.548 -2.427 -17.543 1.00 0.00 H new ATOM 0 HD23 LEU A 82 27.660 -2.653 -19.304 1.00 0.00 H new