USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 723 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 27 GLN :FLIP amide:sc= -7.4! C(o=-43!,f=-37!) USER MOD Set 1.2: A 32 TYR OH : rot -78:sc= -6.73! USER MOD Set 1.3: A 103 ASN :FLIP amide:sc= -22.6! C(o=-43!,f=-37!) USER MOD Set 2.1: A 89 THR OG1 : rot -30:sc= 0.806 USER MOD Set 2.2: A 113 ASN :FLIP amide:sc= -4.24! C(o=-7.9!,f=-3.4!) USER MOD Set 3.1: A 37 CYS SG : rot -136:sc= -11.4! USER MOD Set 3.2: A 47 CYS SG : rot -56:sc= -8.72! USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.679 USER MOD Single : A 8 THR OG1 : rot 180:sc= -4.91! USER MOD Single : A 10 SER OG : rot 32:sc= -0.433 USER MOD Single : A 11 SER OG : rot 35:sc= 0.967 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0608 USER MOD Single : A 17 THR OG1 : rot 96:sc= -0.0811 USER MOD Single : A 20 LYS NZ :NH3+ -131:sc= -0.0468 (180deg=-2.09!) USER MOD Single : A 30 THR OG1 : rot -160:sc= -0.0262 USER MOD Single : A 36 GLN : amide:sc= -10.5! C(o=-11!,f=-14!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -7.16! C(o=-7.2!,f=-23!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0485 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.377 USER MOD Single : A 65 THR OG1 : rot 51:sc= -0.681 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 90:sc= -5.2! USER MOD Single : A 72 SER OG : rot -50:sc= 0.0503 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 90 THR OG1 : rot 180:sc=-0.00833 USER MOD Single : A 94 GLN : amide:sc= -1.85 K(o=-1.9,f=-5.4!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot -85:sc= -3.72! USER MOD ----------------------------------------------------------------- ATOM 11 N ALA A 2 2.386 12.321 -4.633 1.00 0.00 N ATOM 12 CA ALA A 2 3.099 11.289 -3.907 1.00 0.00 C ATOM 13 C ALA A 2 4.448 11.822 -3.445 1.00 0.00 C ATOM 14 O ALA A 2 5.279 12.207 -4.265 1.00 0.00 O ATOM 15 CB ALA A 2 3.278 10.069 -4.805 1.00 0.00 C ATOM 0 HA ALA A 2 2.526 10.995 -3.027 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.814 9.292 -4.260 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.300 9.692 -5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.847 10.350 -5.691 1.00 0.00 H new ATOM 21 N PRO A 3 4.664 11.845 -2.128 1.00 0.00 N ATOM 22 CA PRO A 3 5.884 12.315 -1.509 1.00 0.00 C ATOM 23 C PRO A 3 6.999 11.306 -1.746 1.00 0.00 C ATOM 24 O PRO A 3 6.793 10.298 -2.419 1.00 0.00 O ATOM 25 CB PRO A 3 5.552 12.425 -0.023 1.00 0.00 C ATOM 26 CG PRO A 3 4.497 11.337 0.170 1.00 0.00 C ATOM 27 CD PRO A 3 3.708 11.400 -1.136 1.00 0.00 C ATOM 0 HA PRO A 3 6.226 13.267 -1.914 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.429 12.253 0.601 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.167 13.412 0.233 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.949 10.357 0.323 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.864 11.535 1.035 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.295 10.425 -1.395 1.00 0.00 H new ATOM 0 HD3 PRO A 3 2.869 12.092 -1.058 1.00 0.00 H new ATOM 35 N THR A 4 8.182 11.579 -1.192 1.00 0.00 N ATOM 36 CA THR A 4 9.318 10.693 -1.349 1.00 0.00 C ATOM 37 C THR A 4 9.458 9.806 -0.121 1.00 0.00 C ATOM 38 O THR A 4 9.824 10.281 0.953 1.00 0.00 O ATOM 39 CB THR A 4 10.582 11.522 -1.564 1.00 0.00 C ATOM 40 OG1 THR A 4 10.680 11.884 -2.924 1.00 0.00 O ATOM 41 CG2 THR A 4 11.804 10.698 -1.169 1.00 0.00 C ATOM 0 H THR A 4 8.370 12.410 -0.631 1.00 0.00 H new ATOM 0 HA THR A 4 9.166 10.052 -2.218 1.00 0.00 H new ATOM 0 HB THR A 4 10.536 12.421 -0.950 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.490 12.418 -3.063 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.707 11.289 -1.322 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.729 10.416 -0.119 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.851 9.799 -1.783 1.00 0.00 H new ATOM 49 N ALA A 5 9.166 8.514 -0.281 1.00 0.00 N ATOM 50 CA ALA A 5 9.259 7.568 0.813 1.00 0.00 C ATOM 51 C ALA A 5 10.160 6.407 0.416 1.00 0.00 C ATOM 52 O ALA A 5 10.440 6.212 -0.765 1.00 0.00 O ATOM 53 CB ALA A 5 7.862 7.069 1.173 1.00 0.00 C ATOM 0 H ALA A 5 8.863 8.105 -1.165 1.00 0.00 H new ATOM 0 HA ALA A 5 9.693 8.057 1.686 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.931 6.357 1.996 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.241 7.913 1.474 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.416 6.580 0.307 1.00 0.00 H new ATOM 59 N THR A 6 10.615 5.635 1.405 1.00 0.00 N ATOM 60 CA THR A 6 11.480 4.501 1.150 1.00 0.00 C ATOM 61 C THR A 6 10.935 3.265 1.849 1.00 0.00 C ATOM 62 O THR A 6 10.871 3.219 3.076 1.00 0.00 O ATOM 63 CB THR A 6 12.891 4.819 1.636 1.00 0.00 C ATOM 64 OG1 THR A 6 12.819 5.554 2.837 1.00 0.00 O ATOM 65 CG2 THR A 6 13.621 5.643 0.578 1.00 0.00 C ATOM 0 H THR A 6 10.393 5.782 2.390 1.00 0.00 H new ATOM 0 HA THR A 6 11.514 4.301 0.079 1.00 0.00 H new ATOM 0 HB THR A 6 13.433 3.890 1.810 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.725 5.757 3.151 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.629 5.870 0.925 1.00 0.00 H new ATOM 0 HG22 THR A 6 13.677 5.075 -0.351 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.079 6.573 0.403 1.00 0.00 H new ATOM 73 N VAL A 7 10.540 2.259 1.064 1.00 0.00 N ATOM 74 CA VAL A 7 10.003 1.029 1.609 1.00 0.00 C ATOM 75 C VAL A 7 10.983 -0.111 1.370 1.00 0.00 C ATOM 76 O VAL A 7 11.718 -0.104 0.385 1.00 0.00 O ATOM 77 CB VAL A 7 8.657 0.730 0.957 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.369 -0.766 1.046 1.00 0.00 C ATOM 79 CG2 VAL A 7 7.558 1.503 1.682 1.00 0.00 C ATOM 0 H VAL A 7 10.586 2.282 0.045 1.00 0.00 H new ATOM 0 HA VAL A 7 9.855 1.136 2.684 1.00 0.00 H new ATOM 0 HB VAL A 7 8.685 1.033 -0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.407 -0.980 0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.153 -1.319 0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.341 -1.069 2.093 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.596 1.290 1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.530 1.200 2.729 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.763 2.572 1.619 1.00 0.00 H new ATOM 89 N THR A 8 10.993 -1.093 2.275 1.00 0.00 N ATOM 90 CA THR A 8 11.882 -2.231 2.153 1.00 0.00 C ATOM 91 C THR A 8 11.448 -3.106 0.986 1.00 0.00 C ATOM 92 O THR A 8 10.383 -2.894 0.410 1.00 0.00 O ATOM 93 CB THR A 8 11.872 -3.024 3.456 1.00 0.00 C ATOM 94 OG1 THR A 8 13.184 -3.440 3.763 1.00 0.00 O ATOM 95 CG2 THR A 8 10.974 -4.248 3.300 1.00 0.00 C ATOM 0 H THR A 8 10.391 -1.115 3.098 1.00 0.00 H new ATOM 0 HA THR A 8 12.897 -1.884 1.961 1.00 0.00 H new ATOM 0 HB THR A 8 11.492 -2.395 4.261 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.178 -3.948 4.601 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.967 -4.815 4.231 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.960 -3.927 3.062 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.353 -4.877 2.495 1.00 0.00 H new ATOM 103 N PRO A 9 12.277 -4.092 0.638 1.00 0.00 N ATOM 104 CA PRO A 9 12.031 -5.023 -0.442 1.00 0.00 C ATOM 105 C PRO A 9 10.931 -5.994 -0.038 1.00 0.00 C ATOM 106 O PRO A 9 11.091 -6.755 0.914 1.00 0.00 O ATOM 107 CB PRO A 9 13.358 -5.751 -0.643 1.00 0.00 C ATOM 108 CG PRO A 9 13.969 -5.733 0.758 1.00 0.00 C ATOM 109 CD PRO A 9 13.537 -4.369 1.293 1.00 0.00 C ATOM 0 HA PRO A 9 11.702 -4.532 -1.358 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.211 -6.768 -1.007 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.993 -5.242 -1.368 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.592 -6.548 1.375 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.054 -5.832 0.728 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.423 -4.388 2.377 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.278 -3.603 1.064 1.00 0.00 H new ATOM 117 N SER A 10 9.811 -5.966 -0.764 1.00 0.00 N ATOM 118 CA SER A 10 8.693 -6.843 -0.477 1.00 0.00 C ATOM 119 C SER A 10 8.288 -7.593 -1.738 1.00 0.00 C ATOM 120 O SER A 10 7.221 -8.202 -1.785 1.00 0.00 O ATOM 121 CB SER A 10 7.527 -6.018 0.060 1.00 0.00 C ATOM 122 OG SER A 10 6.312 -6.573 -0.392 1.00 0.00 O ATOM 0 H SER A 10 9.662 -5.340 -1.556 1.00 0.00 H new ATOM 0 HA SER A 10 8.983 -7.574 0.278 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.549 -6.003 1.150 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.614 -4.984 -0.275 1.00 0.00 H new ATOM 0 HG SER A 10 6.411 -7.543 -0.488 1.00 0.00 H new ATOM 128 N SER A 11 9.143 -7.548 -2.762 1.00 0.00 N ATOM 129 CA SER A 11 8.870 -8.224 -4.014 1.00 0.00 C ATOM 130 C SER A 11 9.448 -9.632 -3.978 1.00 0.00 C ATOM 131 O SER A 11 10.663 -9.808 -4.030 1.00 0.00 O ATOM 132 CB SER A 11 9.471 -7.422 -5.165 1.00 0.00 C ATOM 133 OG SER A 11 10.865 -7.310 -4.982 1.00 0.00 O ATOM 0 H SER A 11 10.031 -7.046 -2.740 1.00 0.00 H new ATOM 0 HA SER A 11 7.793 -8.299 -4.164 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.256 -7.912 -6.115 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.018 -6.431 -5.208 1.00 0.00 H new ATOM 0 HG SER A 11 11.207 -8.129 -4.566 1.00 0.00 H new ATOM 139 N GLY A 12 8.573 -10.636 -3.890 1.00 0.00 N ATOM 140 CA GLY A 12 9.004 -12.019 -3.848 1.00 0.00 C ATOM 141 C GLY A 12 8.997 -12.531 -2.414 1.00 0.00 C ATOM 142 O GLY A 12 9.596 -13.562 -2.118 1.00 0.00 O ATOM 0 H GLY A 12 7.562 -10.508 -3.847 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.345 -12.631 -4.463 1.00 0.00 H new ATOM 0 HA3 GLY A 12 10.006 -12.108 -4.268 1.00 0.00 H new ATOM 146 N LEU A 13 8.316 -11.806 -1.524 1.00 0.00 N ATOM 147 CA LEU A 13 8.234 -12.188 -0.128 1.00 0.00 C ATOM 148 C LEU A 13 6.868 -12.792 0.163 1.00 0.00 C ATOM 149 O LEU A 13 5.855 -12.315 -0.344 1.00 0.00 O ATOM 150 CB LEU A 13 8.482 -10.965 0.749 1.00 0.00 C ATOM 151 CG LEU A 13 9.511 -10.059 0.079 1.00 0.00 C ATOM 152 CD1 LEU A 13 10.212 -9.214 1.139 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.541 -10.915 -0.653 1.00 0.00 C ATOM 0 H LEU A 13 7.814 -10.949 -1.755 1.00 0.00 H new ATOM 0 HA LEU A 13 8.994 -12.937 0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.550 -10.421 0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.839 -11.275 1.731 1.00 0.00 H new ATOM 0 HG LEU A 13 9.010 -9.404 -0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.947 -8.567 0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.476 -8.603 1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.714 -9.868 1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.277 -10.269 -1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.042 -11.570 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.040 -11.519 -1.410 1.00 0.00 H new ATOM 165 N SER A 14 6.841 -13.845 0.983 1.00 0.00 N ATOM 166 CA SER A 14 5.601 -14.506 1.337 1.00 0.00 C ATOM 167 C SER A 14 5.084 -13.960 2.660 1.00 0.00 C ATOM 168 O SER A 14 5.765 -13.178 3.320 1.00 0.00 O ATOM 169 CB SER A 14 5.836 -16.011 1.428 1.00 0.00 C ATOM 170 OG SER A 14 7.127 -16.255 1.941 1.00 0.00 O ATOM 0 H SER A 14 7.672 -14.253 1.411 1.00 0.00 H new ATOM 0 HA SER A 14 4.851 -14.314 0.570 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.085 -16.469 2.072 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.732 -16.466 0.443 1.00 0.00 H new ATOM 0 HG SER A 14 7.278 -17.221 2.001 1.00 0.00 H new ATOM 176 N ASP A 15 3.876 -14.375 3.048 1.00 0.00 N ATOM 177 CA ASP A 15 3.275 -13.926 4.288 1.00 0.00 C ATOM 178 C ASP A 15 4.289 -14.028 5.418 1.00 0.00 C ATOM 179 O ASP A 15 5.207 -14.843 5.358 1.00 0.00 O ATOM 180 CB ASP A 15 2.041 -14.772 4.589 1.00 0.00 C ATOM 181 CG ASP A 15 2.408 -16.244 4.711 1.00 0.00 C ATOM 182 OD1 ASP A 15 3.598 -16.553 4.484 1.00 0.00 O ATOM 183 OD2 ASP A 15 1.492 -17.033 5.029 1.00 0.00 O ATOM 0 H ASP A 15 3.299 -15.024 2.513 1.00 0.00 H new ATOM 0 HA ASP A 15 2.970 -12.884 4.194 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.578 -14.431 5.515 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.304 -14.641 3.797 1.00 0.00 H new ATOM 188 N GLY A 16 4.123 -13.199 6.451 1.00 0.00 N ATOM 189 CA GLY A 16 5.026 -13.204 7.584 1.00 0.00 C ATOM 190 C GLY A 16 6.114 -12.157 7.397 1.00 0.00 C ATOM 191 O GLY A 16 6.697 -11.682 8.369 1.00 0.00 O ATOM 0 H GLY A 16 3.367 -12.517 6.518 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.471 -13.002 8.500 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.476 -14.190 7.694 1.00 0.00 H new ATOM 195 N THR A 17 6.388 -11.797 6.141 1.00 0.00 N ATOM 196 CA THR A 17 7.404 -10.809 5.837 1.00 0.00 C ATOM 197 C THR A 17 6.923 -9.426 6.253 1.00 0.00 C ATOM 198 O THR A 17 5.726 -9.150 6.234 1.00 0.00 O ATOM 199 CB THR A 17 7.717 -10.845 4.344 1.00 0.00 C ATOM 200 OG1 THR A 17 8.524 -11.966 4.060 1.00 0.00 O ATOM 201 CG2 THR A 17 8.458 -9.571 3.948 1.00 0.00 C ATOM 0 H THR A 17 5.915 -12.180 5.323 1.00 0.00 H new ATOM 0 HA THR A 17 8.314 -11.037 6.392 1.00 0.00 H new ATOM 0 HB THR A 17 6.787 -10.914 3.780 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.959 -12.708 3.760 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.682 -9.597 2.881 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.834 -8.704 4.167 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.388 -9.501 4.512 1.00 0.00 H new ATOM 209 N VAL A 18 7.863 -8.556 6.631 1.00 0.00 N ATOM 210 CA VAL A 18 7.533 -7.208 7.049 1.00 0.00 C ATOM 211 C VAL A 18 8.230 -6.203 6.143 1.00 0.00 C ATOM 212 O VAL A 18 9.422 -6.329 5.874 1.00 0.00 O ATOM 213 CB VAL A 18 7.956 -7.010 8.502 1.00 0.00 C ATOM 214 CG1 VAL A 18 9.460 -7.232 8.630 1.00 0.00 C ATOM 215 CG2 VAL A 18 7.612 -5.590 8.942 1.00 0.00 C ATOM 0 H VAL A 18 8.860 -8.771 6.653 1.00 0.00 H new ATOM 0 HA VAL A 18 6.457 -7.052 6.973 1.00 0.00 H new ATOM 0 HB VAL A 18 7.429 -7.725 9.134 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.762 -7.090 9.668 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.706 -8.246 8.316 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.988 -6.518 7.998 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.914 -5.447 9.980 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.139 -4.875 8.310 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.537 -5.431 8.852 1.00 0.00 H new ATOM 225 N VAL A 19 7.481 -5.203 5.672 1.00 0.00 N ATOM 226 CA VAL A 19 8.028 -4.182 4.801 1.00 0.00 C ATOM 227 C VAL A 19 8.069 -2.848 5.532 1.00 0.00 C ATOM 228 O VAL A 19 7.279 -2.614 6.443 1.00 0.00 O ATOM 229 CB VAL A 19 7.177 -4.082 3.539 1.00 0.00 C ATOM 230 CG1 VAL A 19 6.436 -5.399 3.319 1.00 0.00 C ATOM 231 CG2 VAL A 19 6.166 -2.950 3.696 1.00 0.00 C ATOM 0 H VAL A 19 6.490 -5.086 5.885 1.00 0.00 H new ATOM 0 HA VAL A 19 9.046 -4.448 4.516 1.00 0.00 H new ATOM 0 HB VAL A 19 7.820 -3.879 2.682 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.828 -5.328 2.417 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.158 -6.208 3.207 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.793 -5.602 4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.558 -2.878 2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.523 -3.153 4.553 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.694 -2.010 3.853 1.00 0.00 H new ATOM 241 N LYS A 20 8.993 -1.972 5.129 1.00 0.00 N ATOM 242 CA LYS A 20 9.129 -0.669 5.748 1.00 0.00 C ATOM 243 C LYS A 20 8.613 0.409 4.804 1.00 0.00 C ATOM 244 O LYS A 20 8.635 0.234 3.588 1.00 0.00 O ATOM 245 CB LYS A 20 10.594 -0.424 6.099 1.00 0.00 C ATOM 246 CG LYS A 20 10.683 0.240 7.470 1.00 0.00 C ATOM 247 CD LYS A 20 10.752 1.755 7.298 1.00 0.00 C ATOM 248 CE LYS A 20 12.211 2.190 7.196 1.00 0.00 C ATOM 249 NZ LYS A 20 12.408 3.522 7.788 1.00 0.00 N ATOM 0 H LYS A 20 9.655 -2.151 4.374 1.00 0.00 H new ATOM 0 HA LYS A 20 8.538 -0.634 6.663 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.141 -1.367 6.103 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.059 0.211 5.345 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.816 -0.029 8.073 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.565 -0.117 8.002 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.209 2.055 6.402 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.272 2.250 8.142 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.846 1.465 7.704 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.517 2.204 6.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.941 4.121 7.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.483 3.957 7.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.939 3.431 8.677 1.00 0.00 H new ATOM 263 N VAL A 21 8.149 1.526 5.369 1.00 0.00 N ATOM 264 CA VAL A 21 7.631 2.624 4.579 1.00 0.00 C ATOM 265 C VAL A 21 7.978 3.947 5.246 1.00 0.00 C ATOM 266 O VAL A 21 7.427 4.280 6.293 1.00 0.00 O ATOM 267 CB VAL A 21 6.120 2.474 4.429 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.423 3.120 5.623 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.666 3.160 3.143 1.00 0.00 C ATOM 0 H VAL A 21 8.125 1.686 6.376 1.00 0.00 H new ATOM 0 HA VAL A 21 8.084 2.609 3.588 1.00 0.00 H new ATOM 0 HB VAL A 21 5.863 1.416 4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.344 3.013 5.516 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.747 2.631 6.542 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.680 4.178 5.665 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.587 3.053 3.035 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.924 4.218 3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.163 2.699 2.290 1.00 0.00 H new ATOM 279 N ALA A 22 8.896 4.702 4.637 1.00 0.00 N ATOM 280 CA ALA A 22 9.311 5.982 5.174 1.00 0.00 C ATOM 281 C ALA A 22 9.022 7.083 4.164 1.00 0.00 C ATOM 282 O ALA A 22 9.617 7.114 3.089 1.00 0.00 O ATOM 283 CB ALA A 22 10.799 5.932 5.510 1.00 0.00 C ATOM 0 H ALA A 22 9.362 4.440 3.769 1.00 0.00 H new ATOM 0 HA ALA A 22 8.753 6.198 6.085 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.113 6.894 5.914 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.979 5.152 6.249 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.369 5.714 4.607 1.00 0.00 H new ATOM 289 N GLY A 23 8.106 7.990 4.511 1.00 0.00 N ATOM 290 CA GLY A 23 7.747 9.085 3.632 1.00 0.00 C ATOM 291 C GLY A 23 8.720 10.243 3.806 1.00 0.00 C ATOM 292 O GLY A 23 9.217 10.479 4.905 1.00 0.00 O ATOM 0 H GLY A 23 7.603 7.980 5.398 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.756 8.746 2.596 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.732 9.418 3.850 1.00 0.00 H new ATOM 296 N ALA A 24 8.990 10.965 2.717 1.00 0.00 N ATOM 297 CA ALA A 24 9.901 12.092 2.753 1.00 0.00 C ATOM 298 C ALA A 24 9.393 13.195 1.836 1.00 0.00 C ATOM 299 O ALA A 24 9.359 13.026 0.619 1.00 0.00 O ATOM 300 CB ALA A 24 11.293 11.634 2.329 1.00 0.00 C ATOM 0 H ALA A 24 8.585 10.782 1.799 1.00 0.00 H new ATOM 0 HA ALA A 24 9.957 12.487 3.767 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.979 12.481 2.356 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.645 10.860 3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.251 11.233 1.316 1.00 0.00 H new ATOM 306 N GLY A 25 8.997 14.328 2.422 1.00 0.00 N ATOM 307 CA GLY A 25 8.494 15.447 1.651 1.00 0.00 C ATOM 308 C GLY A 25 6.973 15.479 1.697 1.00 0.00 C ATOM 309 O GLY A 25 6.339 16.168 0.901 1.00 0.00 O ATOM 0 H GLY A 25 9.019 14.486 3.429 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.896 16.380 2.046 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.832 15.367 0.618 1.00 0.00 H new ATOM 313 N LEU A 26 6.387 14.729 2.634 1.00 0.00 N ATOM 314 CA LEU A 26 4.946 14.674 2.780 1.00 0.00 C ATOM 315 C LEU A 26 4.483 15.756 3.745 1.00 0.00 C ATOM 316 O LEU A 26 5.293 16.339 4.463 1.00 0.00 O ATOM 317 CB LEU A 26 4.539 13.291 3.282 1.00 0.00 C ATOM 318 CG LEU A 26 5.731 12.344 3.186 1.00 0.00 C ATOM 319 CD1 LEU A 26 6.614 12.510 4.419 1.00 0.00 C ATOM 320 CD2 LEU A 26 5.232 10.904 3.107 1.00 0.00 C ATOM 0 H LEU A 26 6.899 14.152 3.302 1.00 0.00 H new ATOM 0 HA LEU A 26 4.472 14.850 1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.193 13.354 4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.708 12.908 2.690 1.00 0.00 H new ATOM 0 HG LEU A 26 6.309 12.578 2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.466 11.833 4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.971 13.538 4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.037 12.277 5.314 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.084 10.227 3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.653 10.670 4.001 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.602 10.785 2.225 1.00 0.00 H new ATOM 332 N GLN A 27 3.175 16.023 3.761 1.00 0.00 N ATOM 333 CA GLN A 27 2.613 17.032 4.636 1.00 0.00 C ATOM 334 C GLN A 27 3.114 16.822 6.058 1.00 0.00 C ATOM 335 O GLN A 27 2.883 15.770 6.651 1.00 0.00 O ATOM 336 CB GLN A 27 1.089 16.956 4.584 1.00 0.00 C ATOM 337 CG GLN A 27 0.612 17.278 3.170 1.00 0.00 C ATOM 338 CD GLN A 27 0.433 16.005 2.355 1.00 0.00 C ATOM 339 OE1 GLN A 27 -0.655 15.276 2.615 1.00 0.00 O flip ATOM 340 NE2 GLN A 27 1.263 15.688 1.506 1.00 0.00 N flip ATOM 0 H GLN A 27 2.490 15.548 3.173 1.00 0.00 H new ATOM 0 HA GLN A 27 2.928 18.022 4.304 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.754 15.960 4.875 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.655 17.659 5.295 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.332 17.822 3.215 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.333 17.931 2.678 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.078 16.279 1.344 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.136 14.834 0.963 1.00 0.00 H new ATOM 349 N ALA A 28 3.803 17.826 6.604 1.00 0.00 N ATOM 350 CA ALA A 28 4.333 17.747 7.950 1.00 0.00 C ATOM 351 C ALA A 28 3.201 17.872 8.959 1.00 0.00 C ATOM 352 O ALA A 28 2.336 18.735 8.820 1.00 0.00 O ATOM 353 CB ALA A 28 5.366 18.851 8.156 1.00 0.00 C ATOM 0 H ALA A 28 4.003 18.704 6.125 1.00 0.00 H new ATOM 0 HA ALA A 28 4.818 16.782 8.097 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.765 18.792 9.169 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.177 18.728 7.439 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.895 19.823 8.008 1.00 0.00 H new ATOM 359 N GLY A 29 3.205 17.008 9.977 1.00 0.00 N ATOM 360 CA GLY A 29 2.178 17.031 10.999 1.00 0.00 C ATOM 361 C GLY A 29 0.861 16.516 10.435 1.00 0.00 C ATOM 362 O GLY A 29 -0.173 16.592 11.095 1.00 0.00 O ATOM 0 H GLY A 29 3.913 16.286 10.108 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.484 16.417 11.846 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.049 18.047 11.372 1.00 0.00 H new ATOM 366 N THR A 30 0.900 15.990 9.208 1.00 0.00 N ATOM 367 CA THR A 30 -0.289 15.466 8.566 1.00 0.00 C ATOM 368 C THR A 30 -0.375 13.962 8.782 1.00 0.00 C ATOM 369 O THR A 30 0.646 13.279 8.828 1.00 0.00 O ATOM 370 CB THR A 30 -0.249 15.797 7.077 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.176 16.822 6.799 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.609 14.553 6.270 1.00 0.00 C ATOM 0 H THR A 30 1.748 15.920 8.646 1.00 0.00 H new ATOM 0 HA THR A 30 -1.175 15.925 9.004 1.00 0.00 H new ATOM 0 HB THR A 30 0.753 16.129 6.805 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.388 16.821 5.842 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.581 14.789 5.206 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.107 13.760 6.485 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.611 14.221 6.541 1.00 0.00 H new ATOM 380 N ALA A 31 -1.599 13.447 8.916 1.00 0.00 N ATOM 381 CA ALA A 31 -1.814 12.030 9.127 1.00 0.00 C ATOM 382 C ALA A 31 -1.913 11.318 7.785 1.00 0.00 C ATOM 383 O ALA A 31 -2.337 11.911 6.795 1.00 0.00 O ATOM 384 CB ALA A 31 -3.087 11.825 9.943 1.00 0.00 C ATOM 0 H ALA A 31 -2.455 14.001 8.881 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.973 11.609 9.678 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.249 10.759 10.102 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.986 12.324 10.907 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.936 12.245 9.404 1.00 0.00 H new ATOM 390 N TYR A 32 -1.521 10.043 7.753 1.00 0.00 N ATOM 391 CA TYR A 32 -1.567 9.261 6.534 1.00 0.00 C ATOM 392 C TYR A 32 -2.087 7.863 6.836 1.00 0.00 C ATOM 393 O TYR A 32 -2.035 7.413 7.979 1.00 0.00 O ATOM 394 CB TYR A 32 -0.171 9.198 5.920 1.00 0.00 C ATOM 395 CG TYR A 32 0.223 10.459 5.189 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.508 10.878 4.071 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.320 11.209 5.629 1.00 0.00 C ATOM 398 CE1 TYR A 32 -0.142 12.047 3.393 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.686 12.378 4.951 1.00 0.00 C ATOM 400 CZ TYR A 32 0.955 12.797 3.833 1.00 0.00 C ATOM 401 OH TYR A 32 1.312 13.935 3.172 1.00 0.00 O ATOM 0 H TYR A 32 -1.168 9.536 8.565 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.244 9.731 5.821 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.556 9.003 6.709 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.125 8.357 5.228 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.354 10.299 3.731 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.884 10.886 6.491 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.706 12.370 2.531 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.532 12.957 5.291 1.00 0.00 H new ATOM 0 HH TYR A 32 1.798 13.700 2.354 1.00 0.00 H new ATOM 411 N ASP A 33 -2.589 7.175 5.808 1.00 0.00 N ATOM 412 CA ASP A 33 -3.115 5.835 5.969 1.00 0.00 C ATOM 413 C ASP A 33 -2.400 4.883 5.020 1.00 0.00 C ATOM 414 O ASP A 33 -2.518 5.013 3.804 1.00 0.00 O ATOM 415 CB ASP A 33 -4.617 5.843 5.697 1.00 0.00 C ATOM 416 CG ASP A 33 -5.120 4.441 5.383 1.00 0.00 C ATOM 417 OD1 ASP A 33 -4.597 3.496 6.012 1.00 0.00 O ATOM 418 OD2 ASP A 33 -6.018 4.341 4.520 1.00 0.00 O ATOM 0 H ASP A 33 -2.638 7.534 4.854 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.946 5.494 6.990 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.146 6.237 6.565 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.836 6.508 4.861 1.00 0.00 H new ATOM 423 N VAL A 34 -1.657 3.926 5.580 1.00 0.00 N ATOM 424 CA VAL A 34 -0.928 2.960 4.783 1.00 0.00 C ATOM 425 C VAL A 34 -1.742 1.680 4.654 1.00 0.00 C ATOM 426 O VAL A 34 -2.404 1.265 5.602 1.00 0.00 O ATOM 427 CB VAL A 34 0.422 2.678 5.436 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.496 2.567 4.357 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.774 3.818 6.387 1.00 0.00 C ATOM 0 H VAL A 34 -1.550 3.806 6.587 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.757 3.361 3.784 1.00 0.00 H new ATOM 0 HB VAL A 34 0.368 1.743 5.993 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.461 2.366 4.823 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.245 1.754 3.676 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.550 3.502 3.800 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.738 3.618 6.854 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.828 4.753 5.830 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.007 3.899 7.158 1.00 0.00 H new ATOM 439 N GLY A 35 -1.692 1.054 3.476 1.00 0.00 N ATOM 440 CA GLY A 35 -2.424 -0.173 3.235 1.00 0.00 C ATOM 441 C GLY A 35 -1.821 -0.925 2.057 1.00 0.00 C ATOM 442 O GLY A 35 -1.044 -0.362 1.289 1.00 0.00 O ATOM 0 H GLY A 35 -1.149 1.384 2.678 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.400 -0.800 4.126 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.471 0.054 3.033 1.00 0.00 H new ATOM 446 N GLN A 36 -2.180 -2.204 1.916 1.00 0.00 N ATOM 447 CA GLN A 36 -1.673 -3.025 0.836 1.00 0.00 C ATOM 448 C GLN A 36 -2.818 -3.449 -0.073 1.00 0.00 C ATOM 449 O GLN A 36 -3.672 -4.238 0.328 1.00 0.00 O ATOM 450 CB GLN A 36 -0.963 -4.245 1.417 1.00 0.00 C ATOM 451 CG GLN A 36 -1.102 -5.422 0.455 1.00 0.00 C ATOM 452 CD GLN A 36 -0.452 -6.672 1.030 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.068 -7.389 1.815 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.797 -6.931 0.638 1.00 0.00 N ATOM 0 H GLN A 36 -2.823 -2.686 2.544 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.959 -2.453 0.243 1.00 0.00 H new ATOM 0 HB2 GLN A 36 0.091 -4.021 1.584 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.392 -4.501 2.386 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.157 -5.613 0.258 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.639 -5.173 -0.500 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.266 -6.305 -0.016 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.282 -7.755 0.992 1.00 0.00 H new ATOM 463 N CYS A 37 -2.834 -2.924 -1.300 1.00 0.00 N ATOM 464 CA CYS A 37 -3.871 -3.250 -2.258 1.00 0.00 C ATOM 465 C CYS A 37 -3.301 -4.145 -3.349 1.00 0.00 C ATOM 466 O CYS A 37 -2.095 -4.379 -3.396 1.00 0.00 O ATOM 467 CB CYS A 37 -4.435 -1.963 -2.854 1.00 0.00 C ATOM 468 SG CYS A 37 -5.044 -0.787 -1.620 1.00 0.00 S ATOM 0 H CYS A 37 -2.133 -2.269 -1.647 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.677 -3.787 -1.759 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.660 -1.480 -3.450 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.249 -2.215 -3.534 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.182 -0.296 -2.013 1.00 0.00 H new ATOM 473 N ALA A 38 -4.172 -4.645 -4.229 1.00 0.00 N ATOM 474 CA ALA A 38 -3.752 -5.511 -5.312 1.00 0.00 C ATOM 475 C ALA A 38 -4.676 -5.327 -6.507 1.00 0.00 C ATOM 476 O ALA A 38 -5.889 -5.489 -6.387 1.00 0.00 O ATOM 477 CB ALA A 38 -3.764 -6.961 -4.837 1.00 0.00 C ATOM 0 H ALA A 38 -5.175 -4.459 -4.205 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.739 -5.252 -5.618 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.448 -7.613 -5.651 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.080 -7.074 -3.996 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.772 -7.233 -4.524 1.00 0.00 H new ATOM 483 N TRP A 39 -4.102 -4.988 -7.664 1.00 0.00 N ATOM 484 CA TRP A 39 -4.880 -4.787 -8.870 1.00 0.00 C ATOM 485 C TRP A 39 -5.526 -6.097 -9.294 1.00 0.00 C ATOM 486 O TRP A 39 -4.832 -7.062 -9.607 1.00 0.00 O ATOM 487 CB TRP A 39 -3.975 -4.247 -9.973 1.00 0.00 C ATOM 488 CG TRP A 39 -4.331 -4.694 -11.355 1.00 0.00 C ATOM 489 CD1 TRP A 39 -5.569 -5.045 -11.766 1.00 0.00 C ATOM 490 CD2 TRP A 39 -3.466 -4.848 -12.521 1.00 0.00 C ATOM 491 NE1 TRP A 39 -5.530 -5.402 -13.097 1.00 0.00 N ATOM 492 CE2 TRP A 39 -4.254 -5.299 -13.613 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.095 -4.652 -12.767 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -3.714 -5.543 -14.879 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -1.543 -4.894 -14.033 1.00 0.00 C ATOM 496 CH2 TRP A 39 -2.348 -5.338 -15.089 1.00 0.00 C ATOM 0 H TRP A 39 -3.098 -4.849 -7.782 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.671 -4.062 -8.680 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -3.999 -3.158 -9.942 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -2.949 -4.549 -9.762 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.454 -5.046 -11.147 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -6.343 -5.705 -13.634 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.456 -4.309 -11.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -4.345 -5.886 -15.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -0.487 -4.736 -14.195 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -1.915 -5.521 -16.061 1.00 0.00 H new ATOM 507 N VAL A 40 -6.861 -6.130 -9.305 1.00 0.00 N ATOM 508 CA VAL A 40 -7.594 -7.319 -9.690 1.00 0.00 C ATOM 509 C VAL A 40 -8.030 -7.206 -11.144 1.00 0.00 C ATOM 510 O VAL A 40 -7.924 -8.168 -11.902 1.00 0.00 O ATOM 511 CB VAL A 40 -8.803 -7.489 -8.774 1.00 0.00 C ATOM 512 CG1 VAL A 40 -8.340 -7.986 -7.407 1.00 0.00 C ATOM 513 CG2 VAL A 40 -9.512 -6.147 -8.614 1.00 0.00 C ATOM 0 H VAL A 40 -7.451 -5.338 -9.049 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.954 -8.195 -9.590 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.490 -8.214 -9.210 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.203 -8.108 -6.753 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.833 -8.944 -7.521 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.653 -7.262 -6.970 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.376 -6.267 -7.960 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.825 -5.422 -8.178 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.843 -5.792 -9.590 1.00 0.00 H new ATOM 523 N ASP A 41 -8.522 -6.027 -11.532 1.00 0.00 N ATOM 524 CA ASP A 41 -8.971 -5.796 -12.890 1.00 0.00 C ATOM 525 C ASP A 41 -8.453 -4.452 -13.382 1.00 0.00 C ATOM 526 O ASP A 41 -7.795 -3.729 -12.638 1.00 0.00 O ATOM 527 CB ASP A 41 -10.495 -5.838 -12.935 1.00 0.00 C ATOM 528 CG ASP A 41 -10.982 -6.953 -13.849 1.00 0.00 C ATOM 529 OD1 ASP A 41 -10.110 -7.674 -14.379 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.218 -7.063 -14.002 1.00 0.00 O ATOM 0 H ASP A 41 -8.616 -5.220 -10.915 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.580 -6.575 -13.544 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.888 -5.989 -11.930 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.879 -4.880 -13.287 1.00 0.00 H new ATOM 535 N THR A 42 -8.750 -4.119 -14.640 1.00 0.00 N ATOM 536 CA THR A 42 -8.312 -2.865 -15.219 1.00 0.00 C ATOM 537 C THR A 42 -8.904 -1.699 -14.440 1.00 0.00 C ATOM 538 O THR A 42 -10.113 -1.478 -14.471 1.00 0.00 O ATOM 539 CB THR A 42 -8.736 -2.806 -16.684 1.00 0.00 C ATOM 540 OG1 THR A 42 -7.895 -3.639 -17.450 1.00 0.00 O ATOM 541 CG2 THR A 42 -8.627 -1.370 -17.188 1.00 0.00 C ATOM 0 H THR A 42 -9.294 -4.707 -15.271 1.00 0.00 H new ATOM 0 HA THR A 42 -7.225 -2.797 -15.165 1.00 0.00 H new ATOM 0 HB THR A 42 -9.767 -3.146 -16.778 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.168 -3.603 -18.391 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.930 -1.328 -18.234 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.277 -0.726 -16.596 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.596 -1.029 -17.095 1.00 0.00 H new ATOM 549 N GLY A 43 -8.049 -0.952 -13.738 1.00 0.00 N ATOM 550 CA GLY A 43 -8.495 0.185 -12.957 1.00 0.00 C ATOM 551 C GLY A 43 -9.265 -0.287 -11.732 1.00 0.00 C ATOM 552 O GLY A 43 -9.862 0.519 -11.022 1.00 0.00 O ATOM 0 H GLY A 43 -7.044 -1.121 -13.700 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.637 0.782 -12.648 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.128 0.829 -13.568 1.00 0.00 H new ATOM 556 N VAL A 44 -9.250 -1.599 -11.485 1.00 0.00 N ATOM 557 CA VAL A 44 -9.944 -2.172 -10.350 1.00 0.00 C ATOM 558 C VAL A 44 -8.957 -2.918 -9.465 1.00 0.00 C ATOM 559 O VAL A 44 -8.431 -3.957 -9.857 1.00 0.00 O ATOM 560 CB VAL A 44 -11.042 -3.109 -10.846 1.00 0.00 C ATOM 561 CG1 VAL A 44 -11.788 -3.696 -9.651 1.00 0.00 C ATOM 562 CG2 VAL A 44 -12.018 -2.329 -11.722 1.00 0.00 C ATOM 0 H VAL A 44 -8.760 -2.280 -12.064 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.402 -1.378 -9.760 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.596 -3.916 -11.428 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -12.572 -4.365 -10.005 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.091 -4.253 -9.025 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.234 -2.890 -9.069 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.803 -2.997 -12.077 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.464 -1.522 -11.140 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.485 -1.909 -12.576 1.00 0.00 H new ATOM 572 N LEU A 45 -8.705 -2.386 -8.266 1.00 0.00 N ATOM 573 CA LEU A 45 -7.784 -3.003 -7.333 1.00 0.00 C ATOM 574 C LEU A 45 -8.471 -3.212 -5.991 1.00 0.00 C ATOM 575 O LEU A 45 -9.219 -2.350 -5.533 1.00 0.00 O ATOM 576 CB LEU A 45 -6.550 -2.119 -7.177 1.00 0.00 C ATOM 577 CG LEU A 45 -6.733 -1.199 -5.974 1.00 0.00 C ATOM 578 CD1 LEU A 45 -5.366 -0.750 -5.464 1.00 0.00 C ATOM 579 CD2 LEU A 45 -7.549 0.023 -6.387 1.00 0.00 C ATOM 0 H LEU A 45 -9.133 -1.525 -7.926 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.472 -3.975 -7.714 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.662 -2.736 -7.044 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.396 -1.528 -8.080 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.257 -1.735 -5.183 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.496 -0.093 -4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.783 -1.623 -5.168 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.841 -0.214 -6.254 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.680 0.681 -5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.025 0.560 -7.178 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.525 -0.297 -6.751 1.00 0.00 H new ATOM 591 N ALA A 46 -8.215 -4.360 -5.360 1.00 0.00 N ATOM 592 CA ALA A 46 -8.808 -4.676 -4.076 1.00 0.00 C ATOM 593 C ALA A 46 -7.857 -4.278 -2.956 1.00 0.00 C ATOM 594 O ALA A 46 -6.642 -4.396 -3.101 1.00 0.00 O ATOM 595 CB ALA A 46 -9.122 -6.168 -4.015 1.00 0.00 C ATOM 0 H ALA A 46 -7.597 -5.084 -5.726 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.736 -4.118 -3.952 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.568 -6.407 -3.050 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.820 -6.426 -4.811 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.202 -6.739 -4.141 1.00 0.00 H new ATOM 601 N CYS A 47 -8.413 -3.806 -1.838 1.00 0.00 N ATOM 602 CA CYS A 47 -7.614 -3.394 -0.702 1.00 0.00 C ATOM 603 C CYS A 47 -7.804 -4.378 0.445 1.00 0.00 C ATOM 604 O CYS A 47 -8.885 -4.938 0.611 1.00 0.00 O ATOM 605 CB CYS A 47 -8.021 -1.986 -0.279 1.00 0.00 C ATOM 606 SG CYS A 47 -7.422 -0.684 -1.385 1.00 0.00 S ATOM 0 H CYS A 47 -9.419 -3.703 -1.704 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.559 -3.386 -0.977 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.108 -1.933 -0.227 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.645 -1.796 0.726 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.129 -0.766 -1.491 1.00 0.00 H new ATOM 611 N ASN A 48 -6.749 -4.586 1.236 1.00 0.00 N ATOM 612 CA ASN A 48 -6.807 -5.499 2.360 1.00 0.00 C ATOM 613 C ASN A 48 -6.823 -4.716 3.665 1.00 0.00 C ATOM 614 O ASN A 48 -5.809 -4.146 4.062 1.00 0.00 O ATOM 615 CB ASN A 48 -5.608 -6.442 2.310 1.00 0.00 C ATOM 616 CG ASN A 48 -5.550 -7.313 3.556 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.507 -7.364 4.325 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.423 -8.001 3.754 1.00 0.00 N ATOM 0 H ASN A 48 -5.846 -4.129 1.111 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.721 -6.090 2.305 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.673 -7.073 1.423 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.688 -5.863 2.223 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.330 -8.602 4.573 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.656 -7.926 3.086 1.00 0.00 H new ATOM 625 N PRO A 49 -7.979 -4.688 4.332 1.00 0.00 N ATOM 626 CA PRO A 49 -8.181 -3.998 5.587 1.00 0.00 C ATOM 627 C PRO A 49 -7.473 -4.752 6.704 1.00 0.00 C ATOM 628 O PRO A 49 -7.526 -4.344 7.862 1.00 0.00 O ATOM 629 CB PRO A 49 -9.693 -4.001 5.797 1.00 0.00 C ATOM 630 CG PRO A 49 -10.129 -5.286 5.096 1.00 0.00 C ATOM 631 CD PRO A 49 -9.191 -5.347 3.893 1.00 0.00 C ATOM 0 HA PRO A 49 -7.780 -2.985 5.583 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.954 -4.009 6.855 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.164 -3.121 5.359 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.017 -6.157 5.741 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.175 -5.247 4.792 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.995 -6.377 3.597 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.624 -4.843 3.029 1.00 0.00 H new ATOM 639 N ALA A 50 -6.810 -5.856 6.353 1.00 0.00 N ATOM 640 CA ALA A 50 -6.098 -6.662 7.326 1.00 0.00 C ATOM 641 C ALA A 50 -4.678 -6.139 7.488 1.00 0.00 C ATOM 642 O ALA A 50 -3.986 -6.502 8.436 1.00 0.00 O ATOM 643 CB ALA A 50 -6.090 -8.118 6.869 1.00 0.00 C ATOM 0 H ALA A 50 -6.756 -6.207 5.397 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.598 -6.601 8.292 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.555 -8.726 7.599 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.115 -8.477 6.780 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.594 -8.193 5.901 1.00 0.00 H new ATOM 649 N ASP A 51 -4.245 -5.284 6.559 1.00 0.00 N ATOM 650 CA ASP A 51 -2.912 -4.718 6.604 1.00 0.00 C ATOM 651 C ASP A 51 -2.995 -3.199 6.544 1.00 0.00 C ATOM 652 O ASP A 51 -2.072 -2.544 6.064 1.00 0.00 O ATOM 653 CB ASP A 51 -2.090 -5.261 5.438 1.00 0.00 C ATOM 654 CG ASP A 51 -2.857 -5.137 4.128 1.00 0.00 C ATOM 655 OD1 ASP A 51 -3.508 -4.085 3.950 1.00 0.00 O ATOM 656 OD2 ASP A 51 -2.777 -6.096 3.331 1.00 0.00 O ATOM 0 H ASP A 51 -4.807 -4.973 5.767 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.424 -4.999 7.537 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.149 -4.716 5.366 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.840 -6.306 5.620 1.00 0.00 H new ATOM 661 N PHE A 52 -4.103 -2.640 7.034 1.00 0.00 N ATOM 662 CA PHE A 52 -4.297 -1.204 7.033 1.00 0.00 C ATOM 663 C PHE A 52 -3.611 -0.589 8.244 1.00 0.00 C ATOM 664 O PHE A 52 -4.100 -0.709 9.365 1.00 0.00 O ATOM 665 CB PHE A 52 -5.792 -0.894 7.042 1.00 0.00 C ATOM 666 CG PHE A 52 -6.283 -0.254 5.765 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.419 0.545 5.006 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.601 -0.457 5.342 1.00 0.00 C ATOM 669 CE1 PHE A 52 -5.874 1.140 3.824 1.00 0.00 C ATOM 670 CE2 PHE A 52 -8.057 0.138 4.159 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.193 0.937 3.400 1.00 0.00 C ATOM 0 H PHE A 52 -4.877 -3.169 7.436 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.855 -0.774 6.134 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.345 -1.818 7.212 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.012 -0.232 7.879 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.402 0.702 5.333 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.267 -1.073 5.928 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.208 1.756 3.239 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.074 -0.019 3.832 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.544 1.397 2.488 1.00 0.00 H new ATOM 681 N SER A 53 -2.474 0.072 8.016 1.00 0.00 N ATOM 682 CA SER A 53 -1.729 0.702 9.087 1.00 0.00 C ATOM 683 C SER A 53 -1.963 2.206 9.065 1.00 0.00 C ATOM 684 O SER A 53 -2.670 2.714 8.197 1.00 0.00 O ATOM 685 CB SER A 53 -0.245 0.383 8.930 1.00 0.00 C ATOM 686 OG SER A 53 0.450 0.802 10.083 1.00 0.00 O ATOM 0 H SER A 53 -2.055 0.180 7.092 1.00 0.00 H new ATOM 0 HA SER A 53 -2.070 0.316 10.048 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.106 -0.687 8.778 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.155 0.885 8.049 1.00 0.00 H new ATOM 0 HG SER A 53 1.403 0.596 9.984 1.00 0.00 H new ATOM 692 N SER A 54 -1.365 2.919 10.022 1.00 0.00 N ATOM 693 CA SER A 54 -1.510 4.359 10.104 1.00 0.00 C ATOM 694 C SER A 54 -0.229 4.976 10.648 1.00 0.00 C ATOM 695 O SER A 54 0.546 4.307 11.327 1.00 0.00 O ATOM 696 CB SER A 54 -2.697 4.699 11.000 1.00 0.00 C ATOM 697 OG SER A 54 -2.272 4.751 12.344 1.00 0.00 O ATOM 0 H SER A 54 -0.776 2.513 10.749 1.00 0.00 H new ATOM 0 HA SER A 54 -1.693 4.768 9.110 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.126 5.657 10.706 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.480 3.950 10.884 1.00 0.00 H new ATOM 0 HG SER A 54 -3.034 4.971 12.920 1.00 0.00 H new ATOM 703 N VAL A 55 -0.010 6.259 10.349 1.00 0.00 N ATOM 704 CA VAL A 55 1.172 6.960 10.808 1.00 0.00 C ATOM 705 C VAL A 55 1.007 8.455 10.576 1.00 0.00 C ATOM 706 O VAL A 55 0.183 8.871 9.764 1.00 0.00 O ATOM 707 CB VAL A 55 2.397 6.430 10.068 1.00 0.00 C ATOM 708 CG1 VAL A 55 2.180 6.564 8.564 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.627 7.235 10.479 1.00 0.00 C ATOM 0 H VAL A 55 -0.644 6.828 9.788 1.00 0.00 H new ATOM 0 HA VAL A 55 1.308 6.791 11.876 1.00 0.00 H new ATOM 0 HB VAL A 55 2.549 5.381 10.321 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.055 6.186 8.035 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.302 5.989 8.270 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.028 7.613 8.310 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.502 6.857 9.951 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.476 8.285 10.226 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.782 7.139 11.554 1.00 0.00 H new ATOM 719 N THR A 56 1.793 9.263 11.290 1.00 0.00 N ATOM 720 CA THR A 56 1.727 10.704 11.154 1.00 0.00 C ATOM 721 C THR A 56 3.114 11.263 10.872 1.00 0.00 C ATOM 722 O THR A 56 4.095 10.831 11.473 1.00 0.00 O ATOM 723 CB THR A 56 1.151 11.309 12.432 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.060 10.662 12.753 1.00 0.00 O ATOM 725 CG2 THR A 56 0.890 12.797 12.218 1.00 0.00 C ATOM 0 H THR A 56 2.481 8.935 11.967 1.00 0.00 H new ATOM 0 HA THR A 56 1.077 10.963 10.318 1.00 0.00 H new ATOM 0 HB THR A 56 1.862 11.178 13.248 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.430 11.048 13.574 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.479 13.229 13.130 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.825 13.298 11.969 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.179 12.928 11.402 1.00 0.00 H new ATOM 733 N ALA A 57 3.193 12.228 9.952 1.00 0.00 N ATOM 734 CA ALA A 57 4.457 12.840 9.594 1.00 0.00 C ATOM 735 C ALA A 57 4.840 13.880 10.636 1.00 0.00 C ATOM 736 O ALA A 57 3.977 14.574 11.170 1.00 0.00 O ATOM 737 CB ALA A 57 4.338 13.477 8.212 1.00 0.00 C ATOM 0 H ALA A 57 2.389 12.597 9.445 1.00 0.00 H new ATOM 0 HA ALA A 57 5.238 12.081 9.564 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.288 13.938 7.941 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.084 12.711 7.479 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.557 14.237 8.228 1.00 0.00 H new ATOM 743 N ASP A 58 6.138 13.988 10.926 1.00 0.00 N ATOM 744 CA ASP A 58 6.627 14.940 11.903 1.00 0.00 C ATOM 745 C ASP A 58 6.720 16.322 11.272 1.00 0.00 C ATOM 746 O ASP A 58 6.251 16.529 10.155 1.00 0.00 O ATOM 747 CB ASP A 58 7.991 14.487 12.416 1.00 0.00 C ATOM 748 CG ASP A 58 9.011 14.447 11.287 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.633 14.850 10.166 1.00 0.00 O ATOM 750 OD2 ASP A 58 10.150 14.013 11.566 1.00 0.00 O ATOM 0 H ASP A 58 6.866 13.421 10.491 1.00 0.00 H new ATOM 0 HA ASP A 58 5.936 14.991 12.745 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.334 15.166 13.197 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.904 13.499 12.868 1.00 0.00 H new ATOM 755 N ALA A 59 7.328 17.269 11.991 1.00 0.00 N ATOM 756 CA ALA A 59 7.477 18.624 11.500 1.00 0.00 C ATOM 757 C ALA A 59 8.363 18.629 10.263 1.00 0.00 C ATOM 758 O ALA A 59 8.254 19.519 9.422 1.00 0.00 O ATOM 759 CB ALA A 59 8.076 19.499 12.598 1.00 0.00 C ATOM 0 H ALA A 59 7.724 17.112 12.918 1.00 0.00 H new ATOM 0 HA ALA A 59 6.501 19.025 11.226 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.189 20.519 12.230 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.416 19.497 13.465 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.052 19.107 12.884 1.00 0.00 H new ATOM 765 N ASN A 60 9.243 17.631 10.152 1.00 0.00 N ATOM 766 CA ASN A 60 10.140 17.527 9.019 1.00 0.00 C ATOM 767 C ASN A 60 9.378 17.037 7.796 1.00 0.00 C ATOM 768 O ASN A 60 9.903 17.054 6.685 1.00 0.00 O ATOM 769 CB ASN A 60 11.281 16.574 9.362 1.00 0.00 C ATOM 770 CG ASN A 60 12.628 17.271 9.234 1.00 0.00 C ATOM 771 OD1 ASN A 60 13.014 18.045 10.107 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.346 16.993 8.143 1.00 0.00 N ATOM 0 H ASN A 60 9.347 16.885 10.840 1.00 0.00 H new ATOM 0 HA ASN A 60 10.557 18.508 8.791 1.00 0.00 H new ATOM 0 HB2 ASN A 60 11.155 16.201 10.378 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.250 15.709 8.699 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.257 17.430 8.007 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.983 16.343 7.446 1.00 0.00 H new ATOM 779 N GLY A 61 8.133 16.599 8.002 1.00 0.00 N ATOM 780 CA GLY A 61 7.309 16.109 6.915 1.00 0.00 C ATOM 781 C GLY A 61 7.734 14.700 6.525 1.00 0.00 C ATOM 782 O GLY A 61 7.621 14.313 5.364 1.00 0.00 O ATOM 0 H GLY A 61 7.681 16.577 8.916 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.261 16.110 7.215 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.396 16.774 6.055 1.00 0.00 H new ATOM 786 N SER A 62 8.225 13.932 7.501 1.00 0.00 N ATOM 787 CA SER A 62 8.662 12.573 7.256 1.00 0.00 C ATOM 788 C SER A 62 7.988 11.627 8.240 1.00 0.00 C ATOM 789 O SER A 62 7.883 11.934 9.426 1.00 0.00 O ATOM 790 CB SER A 62 10.181 12.497 7.386 1.00 0.00 C ATOM 791 OG SER A 62 10.561 12.890 8.686 1.00 0.00 O ATOM 0 H SER A 62 8.326 14.238 8.469 1.00 0.00 H new ATOM 0 HA SER A 62 8.381 12.274 6.246 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.524 11.482 7.187 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.653 13.144 6.646 1.00 0.00 H new ATOM 0 HG SER A 62 11.536 12.840 8.771 1.00 0.00 H new ATOM 797 N ALA A 63 7.532 10.474 7.745 1.00 0.00 N ATOM 798 CA ALA A 63 6.872 9.492 8.581 1.00 0.00 C ATOM 799 C ALA A 63 7.567 8.145 8.441 1.00 0.00 C ATOM 800 O ALA A 63 8.394 7.961 7.550 1.00 0.00 O ATOM 801 CB ALA A 63 5.404 9.387 8.178 1.00 0.00 C ATOM 0 H ALA A 63 7.613 10.205 6.764 1.00 0.00 H new ATOM 0 HA ALA A 63 6.928 9.801 9.625 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.906 8.648 8.806 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.922 10.356 8.305 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.334 9.081 7.134 1.00 0.00 H new ATOM 807 N SER A 64 7.230 7.202 9.324 1.00 0.00 N ATOM 808 CA SER A 64 7.822 5.880 9.292 1.00 0.00 C ATOM 809 C SER A 64 6.835 4.859 9.839 1.00 0.00 C ATOM 810 O SER A 64 6.292 5.037 10.927 1.00 0.00 O ATOM 811 CB SER A 64 9.109 5.881 10.112 1.00 0.00 C ATOM 812 OG SER A 64 9.797 7.094 9.906 1.00 0.00 O ATOM 0 H SER A 64 6.547 7.339 10.069 1.00 0.00 H new ATOM 0 HA SER A 64 8.061 5.609 8.264 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.879 5.756 11.170 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.738 5.040 9.822 1.00 0.00 H new ATOM 0 HG SER A 64 10.623 7.095 10.434 1.00 0.00 H new ATOM 818 N THR A 65 6.603 3.785 9.081 1.00 0.00 N ATOM 819 CA THR A 65 5.685 2.744 9.496 1.00 0.00 C ATOM 820 C THR A 65 6.066 1.424 8.841 1.00 0.00 C ATOM 821 O THR A 65 6.803 1.406 7.858 1.00 0.00 O ATOM 822 CB THR A 65 4.261 3.143 9.119 1.00 0.00 C ATOM 823 OG1 THR A 65 3.489 3.291 10.290 1.00 0.00 O ATOM 824 CG2 THR A 65 3.645 2.059 8.238 1.00 0.00 C ATOM 0 H THR A 65 7.044 3.621 8.176 1.00 0.00 H new ATOM 0 HA THR A 65 5.740 2.617 10.577 1.00 0.00 H new ATOM 0 HB THR A 65 4.280 4.087 8.574 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.956 3.882 10.917 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.628 2.344 7.969 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.241 1.943 7.333 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.625 1.115 8.783 1.00 0.00 H new ATOM 832 N SER A 66 5.561 0.317 9.389 1.00 0.00 N ATOM 833 CA SER A 66 5.850 -0.999 8.856 1.00 0.00 C ATOM 834 C SER A 66 4.569 -1.639 8.337 1.00 0.00 C ATOM 835 O SER A 66 3.623 -1.842 9.095 1.00 0.00 O ATOM 836 CB SER A 66 6.482 -1.861 9.945 1.00 0.00 C ATOM 837 OG SER A 66 6.807 -1.053 11.054 1.00 0.00 O ATOM 0 H SER A 66 4.948 0.315 10.205 1.00 0.00 H new ATOM 0 HA SER A 66 6.552 -0.913 8.026 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.792 -2.650 10.246 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.378 -2.350 9.563 1.00 0.00 H new ATOM 0 HG SER A 66 7.211 -1.606 11.755 1.00 0.00 H new ATOM 843 N LEU A 67 4.542 -1.956 7.041 1.00 0.00 N ATOM 844 CA LEU A 67 3.381 -2.571 6.428 1.00 0.00 C ATOM 845 C LEU A 67 3.577 -4.078 6.347 1.00 0.00 C ATOM 846 O LEU A 67 4.638 -4.548 5.943 1.00 0.00 O ATOM 847 CB LEU A 67 3.166 -1.978 5.038 1.00 0.00 C ATOM 848 CG LEU A 67 1.676 -1.980 4.710 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.347 -0.775 3.833 1.00 0.00 C ATOM 850 CD2 LEU A 67 1.321 -3.264 3.965 1.00 0.00 C ATOM 0 H LEU A 67 5.318 -1.793 6.400 1.00 0.00 H new ATOM 0 HA LEU A 67 2.497 -2.372 7.034 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.556 -0.961 5.000 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.714 -2.557 4.295 1.00 0.00 H new ATOM 0 HG LEU A 67 1.100 -1.925 5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.283 -0.776 3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.601 0.142 4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.922 -0.830 2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.257 -3.266 3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.896 -3.319 3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.556 -4.125 4.591 1.00 0.00 H new ATOM 862 N THR A 68 2.549 -4.837 6.733 1.00 0.00 N ATOM 863 CA THR A 68 2.616 -6.284 6.699 1.00 0.00 C ATOM 864 C THR A 68 2.378 -6.782 5.281 1.00 0.00 C ATOM 865 O THR A 68 1.461 -6.323 4.605 1.00 0.00 O ATOM 866 CB THR A 68 1.578 -6.863 7.657 1.00 0.00 C ATOM 867 OG1 THR A 68 1.289 -8.193 7.287 1.00 0.00 O ATOM 868 CG2 THR A 68 0.303 -6.028 7.591 1.00 0.00 C ATOM 0 H THR A 68 1.662 -4.464 7.072 1.00 0.00 H new ATOM 0 HA THR A 68 3.607 -6.612 7.014 1.00 0.00 H new ATOM 0 HB THR A 68 1.971 -6.845 8.674 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.900 -8.802 7.752 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.438 -6.441 8.275 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.526 -5.000 7.876 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.091 -6.046 6.575 1.00 0.00 H new ATOM 876 N VAL A 69 3.209 -7.726 4.832 1.00 0.00 N ATOM 877 CA VAL A 69 3.086 -8.282 3.500 1.00 0.00 C ATOM 878 C VAL A 69 2.251 -9.553 3.547 1.00 0.00 C ATOM 879 O VAL A 69 2.574 -10.483 4.283 1.00 0.00 O ATOM 880 CB VAL A 69 4.476 -8.568 2.939 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.559 -10.028 2.504 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.736 -7.663 1.737 1.00 0.00 C ATOM 0 H VAL A 69 3.975 -8.117 5.381 1.00 0.00 H new ATOM 0 HA VAL A 69 2.586 -7.567 2.848 1.00 0.00 H new ATOM 0 HB VAL A 69 5.224 -8.375 3.708 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.552 -10.232 2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.374 -10.674 3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.811 -10.222 1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.729 -7.867 1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.988 -7.855 0.968 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.677 -6.620 2.048 1.00 0.00 H new ATOM 892 N ARG A 70 1.175 -9.593 2.758 1.00 0.00 N ATOM 893 CA ARG A 70 0.301 -10.747 2.714 1.00 0.00 C ATOM 894 C ARG A 70 0.319 -11.355 1.319 1.00 0.00 C ATOM 895 O ARG A 70 0.386 -10.634 0.326 1.00 0.00 O ATOM 896 CB ARG A 70 -1.114 -10.327 3.101 1.00 0.00 C ATOM 897 CG ARG A 70 -1.286 -10.452 4.612 1.00 0.00 C ATOM 898 CD ARG A 70 -0.056 -9.882 5.314 1.00 0.00 C ATOM 899 NE ARG A 70 -0.342 -9.586 6.718 1.00 0.00 N ATOM 900 CZ ARG A 70 -0.203 -10.494 7.693 1.00 0.00 C ATOM 901 NH1 ARG A 70 0.214 -11.733 7.401 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.482 -10.162 8.962 1.00 0.00 N ATOM 0 H ARG A 70 0.895 -8.831 2.141 1.00 0.00 H new ATOM 0 HA ARG A 70 0.650 -11.499 3.422 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.299 -9.300 2.787 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.844 -10.953 2.588 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.181 -9.918 4.932 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.423 -11.498 4.888 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.766 -10.594 5.249 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.268 -8.974 4.806 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.661 -8.649 6.965 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.426 -11.986 6.436 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.320 -12.424 8.144 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.800 -9.219 9.184 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.376 -10.853 9.705 1.00 0.00 H new ATOM 916 N ARG A 71 0.260 -12.687 1.246 1.00 0.00 N ATOM 917 CA ARG A 71 0.271 -13.385 -0.024 1.00 0.00 C ATOM 918 C ARG A 71 -1.124 -13.370 -0.632 1.00 0.00 C ATOM 919 O ARG A 71 -1.273 -13.443 -1.850 1.00 0.00 O ATOM 920 CB ARG A 71 0.753 -14.817 0.188 1.00 0.00 C ATOM 921 CG ARG A 71 0.844 -15.528 -1.159 1.00 0.00 C ATOM 922 CD ARG A 71 0.463 -16.995 -0.988 1.00 0.00 C ATOM 923 NE ARG A 71 1.542 -17.874 -1.438 1.00 0.00 N ATOM 924 CZ ARG A 71 1.353 -19.170 -1.720 1.00 0.00 C ATOM 925 NH1 ARG A 71 0.134 -19.712 -1.594 1.00 0.00 N ATOM 926 NH2 ARG A 71 2.382 -19.925 -2.127 1.00 0.00 N ATOM 0 H ARG A 71 0.204 -13.298 2.061 1.00 0.00 H new ATOM 0 HA ARG A 71 0.952 -12.885 -0.713 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.727 -14.815 0.677 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.067 -15.349 0.847 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.180 -15.051 -1.880 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.856 -15.448 -1.556 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.239 -17.196 0.060 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.444 -17.207 -1.555 1.00 0.00 H new ATOM 0 HE ARG A 71 2.479 -17.483 -1.542 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.650 -19.138 -1.283 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.010 -20.699 -1.809 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.310 -19.513 -2.222 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.237 -20.912 -2.341 1.00 0.00 H new ATOM 940 N SER A 72 -2.148 -13.275 0.219 1.00 0.00 N ATOM 941 CA SER A 72 -3.522 -13.250 -0.239 1.00 0.00 C ATOM 942 C SER A 72 -4.398 -12.552 0.792 1.00 0.00 C ATOM 943 O SER A 72 -4.112 -12.598 1.986 1.00 0.00 O ATOM 944 CB SER A 72 -4.004 -14.678 -0.479 1.00 0.00 C ATOM 945 OG SER A 72 -4.030 -14.938 -1.865 1.00 0.00 O ATOM 0 H SER A 72 -2.042 -13.214 1.232 1.00 0.00 H new ATOM 0 HA SER A 72 -3.586 -12.696 -1.176 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.343 -15.385 0.022 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.998 -14.814 -0.054 1.00 0.00 H new ATOM 0 HG SER A 72 -4.505 -14.214 -2.325 1.00 0.00 H new ATOM 951 N PHE A 73 -5.469 -11.904 0.327 1.00 0.00 N ATOM 952 CA PHE A 73 -6.379 -11.202 1.211 1.00 0.00 C ATOM 953 C PHE A 73 -7.577 -10.696 0.421 1.00 0.00 C ATOM 954 O PHE A 73 -7.499 -10.534 -0.794 1.00 0.00 O ATOM 955 CB PHE A 73 -5.643 -10.045 1.881 1.00 0.00 C ATOM 956 CG PHE A 73 -4.767 -9.259 0.935 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.339 -8.574 -0.144 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.382 -9.218 1.135 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.526 -7.848 -1.022 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.569 -8.491 0.257 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.141 -7.806 -0.822 1.00 0.00 C ATOM 0 H PHE A 73 -5.720 -11.856 -0.660 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.740 -11.881 1.983 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.373 -9.372 2.331 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.029 -10.437 2.692 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.407 -8.606 -0.299 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.941 -9.747 1.967 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.967 -7.320 -1.854 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.501 -8.459 0.412 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.514 -7.246 -1.500 1.00 0.00 H new ATOM 971 N GLU A 74 -8.690 -10.445 1.116 1.00 0.00 N ATOM 972 CA GLU A 74 -9.895 -9.958 0.475 1.00 0.00 C ATOM 973 C GLU A 74 -9.602 -8.660 -0.264 1.00 0.00 C ATOM 974 O GLU A 74 -9.230 -7.663 0.350 1.00 0.00 O ATOM 975 CB GLU A 74 -10.979 -9.748 1.528 1.00 0.00 C ATOM 976 CG GLU A 74 -10.425 -8.899 2.668 1.00 0.00 C ATOM 977 CD GLU A 74 -10.255 -9.730 3.931 1.00 0.00 C ATOM 978 OE1 GLU A 74 -11.298 -10.086 4.521 1.00 0.00 O ATOM 979 OE2 GLU A 74 -9.085 -9.993 4.284 1.00 0.00 O ATOM 0 H GLU A 74 -8.772 -10.574 2.124 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.247 -10.692 -0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.844 -9.257 1.082 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.321 -10.710 1.910 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.465 -8.473 2.376 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.097 -8.064 2.865 1.00 0.00 H new ATOM 986 N GLY A 75 -9.772 -8.674 -1.588 1.00 0.00 N ATOM 987 CA GLY A 75 -9.525 -7.499 -2.399 1.00 0.00 C ATOM 988 C GLY A 75 -10.681 -6.516 -2.270 1.00 0.00 C ATOM 989 O GLY A 75 -11.667 -6.615 -2.997 1.00 0.00 O ATOM 0 H GLY A 75 -10.080 -9.492 -2.114 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.596 -7.022 -2.087 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.399 -7.789 -3.442 1.00 0.00 H new ATOM 993 N PHE A 76 -10.557 -5.566 -1.341 1.00 0.00 N ATOM 994 CA PHE A 76 -11.590 -4.574 -1.123 1.00 0.00 C ATOM 995 C PHE A 76 -11.420 -3.426 -2.108 1.00 0.00 C ATOM 996 O PHE A 76 -10.588 -2.545 -1.901 1.00 0.00 O ATOM 997 CB PHE A 76 -11.513 -4.068 0.315 1.00 0.00 C ATOM 998 CG PHE A 76 -12.640 -4.563 1.189 1.00 0.00 C ATOM 999 CD1 PHE A 76 -13.880 -3.913 1.169 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.447 -5.675 2.019 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -14.925 -4.374 1.978 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.492 -6.135 2.828 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.731 -5.485 2.807 1.00 0.00 C ATOM 0 H PHE A 76 -9.746 -5.470 -0.730 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.570 -5.023 -1.285 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.563 -4.378 0.750 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.520 -2.978 0.309 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -14.030 -3.056 0.529 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.491 -6.177 2.034 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -15.881 -3.872 1.963 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.342 -6.992 3.469 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.538 -5.841 3.431 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.212 -3.437 -3.183 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.146 -2.400 -4.193 1.00 0.00 C ATOM 1015 C LEU A 77 -12.379 -1.040 -3.552 1.00 0.00 C ATOM 1016 O LEU A 77 -13.339 -0.858 -2.807 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.190 -2.675 -5.272 1.00 0.00 C ATOM 1018 CG LEU A 77 -13.644 -1.355 -5.888 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -12.468 -0.694 -6.601 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -14.763 -1.620 -6.891 1.00 0.00 C ATOM 0 H LEU A 77 -12.907 -4.160 -3.369 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.158 -2.398 -4.653 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.771 -3.323 -6.042 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.043 -3.201 -4.842 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.009 -0.694 -5.102 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.793 0.249 -7.041 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.668 -0.504 -5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.102 -1.354 -7.387 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.088 -0.677 -7.331 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.398 -2.281 -7.677 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -15.604 -2.091 -6.382 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.497 -0.081 -3.845 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.612 1.255 -3.297 1.00 0.00 C ATOM 1034 C PHE A 78 -13.043 1.752 -3.445 1.00 0.00 C ATOM 1035 O PHE A 78 -13.550 2.461 -2.578 1.00 0.00 O ATOM 1036 CB PHE A 78 -10.639 2.185 -4.016 1.00 0.00 C ATOM 1037 CG PHE A 78 -11.179 2.734 -5.315 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -12.021 3.852 -5.305 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -10.838 2.124 -6.528 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -12.523 4.361 -6.509 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -11.341 2.633 -7.732 1.00 0.00 C ATOM 1042 CZ PHE A 78 -12.183 3.751 -7.723 1.00 0.00 C ATOM 0 H PHE A 78 -10.696 -0.215 -4.462 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.362 1.240 -2.236 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.388 3.015 -3.356 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -9.713 1.645 -4.216 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -12.283 4.322 -4.369 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -10.188 1.262 -6.535 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -13.172 5.224 -6.501 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -11.079 2.162 -8.668 1.00 0.00 H new ATOM 0 HZ PHE A 78 -12.570 4.143 -8.652 1.00 0.00 H new ATOM 1052 N ASP A 79 -13.695 1.379 -4.549 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.062 1.789 -4.805 1.00 0.00 C ATOM 1054 C ASP A 79 -15.959 1.331 -3.664 1.00 0.00 C ATOM 1055 O ASP A 79 -17.077 1.819 -3.517 1.00 0.00 O ATOM 1056 CB ASP A 79 -15.529 1.197 -6.131 1.00 0.00 C ATOM 1057 CG ASP A 79 -16.349 2.209 -6.919 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -15.721 3.121 -7.498 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -17.589 2.051 -6.927 1.00 0.00 O ATOM 0 H ASP A 79 -13.289 0.792 -5.277 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.115 2.876 -4.869 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -14.666 0.886 -6.719 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.127 0.305 -5.945 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.467 0.390 -2.854 1.00 0.00 N ATOM 1065 CA GLY A 80 -16.229 -0.124 -1.734 1.00 0.00 C ATOM 1066 C GLY A 80 -16.930 -1.419 -2.123 1.00 0.00 C ATOM 1067 O GLY A 80 -17.982 -1.746 -1.578 1.00 0.00 O ATOM 0 H GLY A 80 -14.542 -0.026 -2.961 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.568 -0.301 -0.886 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.965 0.615 -1.416 1.00 0.00 H new ATOM 1071 N THR A 81 -16.343 -2.156 -3.068 1.00 0.00 N ATOM 1072 CA THR A 81 -16.915 -3.408 -3.521 1.00 0.00 C ATOM 1073 C THR A 81 -15.976 -4.558 -3.185 1.00 0.00 C ATOM 1074 O THR A 81 -14.759 -4.388 -3.177 1.00 0.00 O ATOM 1075 CB THR A 81 -17.166 -3.337 -5.024 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.419 -2.735 -5.263 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.160 -4.747 -5.609 1.00 0.00 C ATOM 0 H THR A 81 -15.470 -1.900 -3.530 1.00 0.00 H new ATOM 0 HA THR A 81 -17.864 -3.582 -3.014 1.00 0.00 H new ATOM 0 HB THR A 81 -16.382 -2.745 -5.495 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.580 -2.687 -6.228 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.339 -4.696 -6.683 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.192 -5.213 -5.424 1.00 0.00 H new ATOM 0 HG23 THR A 81 -17.944 -5.340 -5.138 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.547 -5.733 -2.907 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.762 -6.904 -2.572 1.00 0.00 C ATOM 1087 C ARG A 82 -15.313 -7.606 -3.846 1.00 0.00 C ATOM 1088 O ARG A 82 -16.059 -8.401 -4.414 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.595 -7.841 -1.703 1.00 0.00 C ATOM 1090 CG ARG A 82 -15.717 -8.985 -1.202 1.00 0.00 C ATOM 1091 CD ARG A 82 -16.261 -9.498 0.129 1.00 0.00 C ATOM 1092 NE ARG A 82 -16.767 -10.864 -0.003 1.00 0.00 N ATOM 1093 CZ ARG A 82 -17.326 -11.533 1.015 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -17.441 -10.950 2.216 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -17.770 -12.784 0.832 1.00 0.00 N ATOM 0 H ARG A 82 -17.555 -5.890 -2.910 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.875 -6.605 -2.014 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -17.015 -7.294 -0.859 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -17.434 -8.236 -2.276 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.699 -9.792 -1.935 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.690 -8.642 -1.079 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -15.474 -9.469 0.883 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -17.060 -8.843 0.476 1.00 0.00 H new ATOM 0 HE ARG A 82 -16.691 -11.327 -0.909 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -17.103 -9.998 2.355 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -17.866 -11.459 2.991 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -17.683 -13.228 -0.082 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -18.195 -13.293 1.607 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.091 -7.312 -4.294 1.00 0.00 N ATOM 1110 CA TRP A 83 -13.554 -7.919 -5.496 1.00 0.00 C ATOM 1111 C TRP A 83 -13.383 -9.417 -5.287 1.00 0.00 C ATOM 1112 O TRP A 83 -13.961 -10.219 -6.018 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.220 -7.266 -5.842 1.00 0.00 C ATOM 1114 CG TRP A 83 -11.653 -7.657 -7.169 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -12.024 -7.138 -8.360 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -10.618 -8.643 -7.469 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -11.295 -7.731 -9.369 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -10.412 -8.669 -8.875 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -9.834 -9.518 -6.697 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -9.480 -9.515 -9.482 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -8.896 -10.371 -7.296 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -8.716 -10.373 -8.685 1.00 0.00 C ATOM 0 H TRP A 83 -13.460 -6.655 -3.836 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.245 -7.765 -6.325 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.346 -6.183 -5.822 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.497 -7.517 -5.066 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -12.776 -6.376 -8.500 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -11.396 -7.504 -10.358 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -9.956 -9.534 -5.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -9.351 -9.506 -10.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -8.306 -11.033 -6.680 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -7.991 -11.033 -9.138 1.00 0.00 H new ATOM 1133 N GLY A 84 -12.586 -9.795 -4.285 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.346 -11.194 -3.990 1.00 0.00 C ATOM 1135 C GLY A 84 -10.938 -11.383 -3.443 1.00 0.00 C ATOM 1136 O GLY A 84 -10.093 -10.501 -3.578 1.00 0.00 O ATOM 0 H GLY A 84 -12.099 -9.145 -3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.077 -11.550 -3.264 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.476 -11.791 -4.893 1.00 0.00 H new ATOM 1140 N THR A 85 -10.687 -12.539 -2.823 1.00 0.00 N ATOM 1141 CA THR A 85 -9.384 -12.834 -2.262 1.00 0.00 C ATOM 1142 C THR A 85 -8.312 -12.687 -3.333 1.00 0.00 C ATOM 1143 O THR A 85 -8.197 -13.529 -4.221 1.00 0.00 O ATOM 1144 CB THR A 85 -9.386 -14.249 -1.692 1.00 0.00 C ATOM 1145 OG1 THR A 85 -10.693 -14.591 -1.288 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.449 -14.315 -0.489 1.00 0.00 C ATOM 0 H THR A 85 -11.376 -13.281 -2.701 1.00 0.00 H new ATOM 0 HA THR A 85 -9.164 -12.131 -1.459 1.00 0.00 H new ATOM 0 HB THR A 85 -9.046 -14.948 -2.456 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.695 -15.501 -0.923 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.450 -15.326 -0.082 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.438 -14.051 -0.800 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.788 -13.616 0.275 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.526 -11.611 -3.247 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.469 -11.357 -4.205 1.00 0.00 C ATOM 1156 C VAL A 86 -5.243 -12.186 -3.850 1.00 0.00 C ATOM 1157 O VAL A 86 -5.031 -12.517 -2.686 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.134 -9.869 -4.209 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -4.774 -9.655 -4.868 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -7.203 -9.109 -4.990 1.00 0.00 C ATOM 0 H VAL A 86 -7.609 -10.904 -2.517 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.800 -11.643 -5.203 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.103 -9.501 -3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.534 -8.592 -4.871 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.010 -10.197 -4.311 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.805 -10.023 -5.894 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -6.964 -8.045 -4.993 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.235 -9.477 -6.016 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.174 -9.261 -4.520 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.434 -12.520 -4.858 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.235 -13.307 -4.647 1.00 0.00 C ATOM 1172 C ASP A 87 -2.007 -12.478 -4.994 1.00 0.00 C ATOM 1173 O ASP A 87 -1.598 -12.425 -6.151 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.298 -14.567 -5.506 1.00 0.00 C ATOM 1175 CG ASP A 87 -3.830 -15.746 -4.704 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -4.992 -15.648 -4.254 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -3.064 -16.723 -4.555 1.00 0.00 O ATOM 0 H ASP A 87 -4.596 -12.253 -5.829 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.166 -13.600 -3.599 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.939 -14.391 -6.370 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.305 -14.801 -5.889 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.419 -11.829 -3.986 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.243 -11.006 -4.188 1.00 0.00 C ATOM 1184 C CYS A 88 0.832 -11.813 -4.904 1.00 0.00 C ATOM 1185 O CYS A 88 1.677 -11.248 -5.595 1.00 0.00 O ATOM 1186 CB CYS A 88 0.265 -10.506 -2.839 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.596 -9.035 -2.230 1.00 0.00 S ATOM 0 H CYS A 88 -1.746 -11.863 -3.021 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.497 -10.145 -4.807 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.163 -11.305 -2.105 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.329 -10.284 -2.922 1.00 0.00 H new ATOM 1192 N THR A 89 0.799 -13.137 -4.737 1.00 0.00 N ATOM 1193 CA THR A 89 1.769 -14.008 -5.369 1.00 0.00 C ATOM 1194 C THR A 89 1.355 -14.291 -6.805 1.00 0.00 C ATOM 1195 O THR A 89 2.043 -15.015 -7.522 1.00 0.00 O ATOM 1196 CB THR A 89 1.881 -15.305 -4.573 1.00 0.00 C ATOM 1197 OG1 THR A 89 2.803 -16.166 -5.204 1.00 0.00 O ATOM 1198 CG2 THR A 89 0.515 -15.982 -4.508 1.00 0.00 C ATOM 0 H THR A 89 0.106 -13.622 -4.167 1.00 0.00 H new ATOM 0 HA THR A 89 2.744 -13.520 -5.384 1.00 0.00 H new ATOM 0 HB THR A 89 2.224 -15.082 -3.563 1.00 0.00 H new ATOM 0 HG1 THR A 89 2.792 -16.006 -6.171 1.00 0.00 H new ATOM 0 HG21 THR A 89 0.595 -16.909 -3.939 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.198 -15.317 -4.020 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.171 -16.205 -5.518 1.00 0.00 H new ATOM 1206 N THR A 90 0.225 -13.718 -7.226 1.00 0.00 N ATOM 1207 CA THR A 90 -0.272 -13.913 -8.573 1.00 0.00 C ATOM 1208 C THR A 90 -0.234 -12.596 -9.335 1.00 0.00 C ATOM 1209 O THR A 90 -0.126 -12.586 -10.560 1.00 0.00 O ATOM 1210 CB THR A 90 -1.694 -14.463 -8.516 1.00 0.00 C ATOM 1211 OG1 THR A 90 -1.657 -15.818 -8.127 1.00 0.00 O ATOM 1212 CG2 THR A 90 -2.341 -14.346 -9.893 1.00 0.00 C ATOM 0 H THR A 90 -0.358 -13.115 -6.645 1.00 0.00 H new ATOM 0 HA THR A 90 0.361 -14.630 -9.096 1.00 0.00 H new ATOM 0 HB THR A 90 -2.276 -13.892 -7.792 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.570 -16.172 -8.088 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.357 -14.739 -9.852 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.369 -13.299 -10.194 1.00 0.00 H new ATOM 0 HG23 THR A 90 -1.760 -14.917 -10.618 1.00 0.00 H new ATOM 1220 N ALA A 91 -0.324 -11.481 -8.606 1.00 0.00 N ATOM 1221 CA ALA A 91 -0.300 -10.166 -9.214 1.00 0.00 C ATOM 1222 C ALA A 91 0.658 -9.262 -8.452 1.00 0.00 C ATOM 1223 O ALA A 91 1.341 -9.712 -7.534 1.00 0.00 O ATOM 1224 CB ALA A 91 -1.710 -9.582 -9.215 1.00 0.00 C ATOM 0 H ALA A 91 -0.414 -11.472 -7.590 1.00 0.00 H new ATOM 0 HA ALA A 91 0.048 -10.243 -10.244 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.694 -8.593 -9.672 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.373 -10.234 -9.784 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.071 -9.502 -8.190 1.00 0.00 H new ATOM 1230 N ALA A 92 0.707 -7.984 -8.834 1.00 0.00 N ATOM 1231 CA ALA A 92 1.580 -7.026 -8.187 1.00 0.00 C ATOM 1232 C ALA A 92 0.787 -6.200 -7.184 1.00 0.00 C ATOM 1233 O ALA A 92 -0.230 -5.605 -7.534 1.00 0.00 O ATOM 1234 CB ALA A 92 2.219 -6.127 -9.242 1.00 0.00 C ATOM 0 H ALA A 92 0.146 -7.596 -9.592 1.00 0.00 H new ATOM 0 HA ALA A 92 2.369 -7.553 -7.651 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.876 -5.406 -8.756 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.799 -6.736 -9.936 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.439 -5.597 -9.789 1.00 0.00 H new ATOM 1240 N CYS A 93 1.254 -6.165 -5.934 1.00 0.00 N ATOM 1241 CA CYS A 93 0.588 -5.415 -4.888 1.00 0.00 C ATOM 1242 C CYS A 93 1.359 -4.134 -4.603 1.00 0.00 C ATOM 1243 O CYS A 93 2.457 -3.940 -5.120 1.00 0.00 O ATOM 1244 CB CYS A 93 0.486 -6.275 -3.632 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.563 -7.738 -3.826 1.00 0.00 S ATOM 0 H CYS A 93 2.096 -6.653 -5.629 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.418 -5.147 -5.211 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.487 -6.594 -3.340 1.00 0.00 H new ATOM 0 HB3 CYS A 93 0.095 -5.666 -2.817 1.00 0.00 H new ATOM 1250 N GLN A 94 0.781 -3.258 -3.779 1.00 0.00 N ATOM 1251 CA GLN A 94 1.415 -2.002 -3.432 1.00 0.00 C ATOM 1252 C GLN A 94 0.792 -1.442 -2.161 1.00 0.00 C ATOM 1253 O GLN A 94 -0.376 -1.698 -1.875 1.00 0.00 O ATOM 1254 CB GLN A 94 1.259 -1.019 -4.589 1.00 0.00 C ATOM 1255 CG GLN A 94 0.885 0.356 -4.043 1.00 0.00 C ATOM 1256 CD GLN A 94 0.793 1.379 -5.165 1.00 0.00 C ATOM 1257 OE1 GLN A 94 1.719 1.516 -5.961 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -0.329 2.100 -5.227 1.00 0.00 N ATOM 0 H GLN A 94 -0.129 -3.404 -3.342 1.00 0.00 H new ATOM 0 HA GLN A 94 2.477 -2.165 -3.250 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.189 -0.957 -5.155 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.490 -1.370 -5.277 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.070 0.297 -3.520 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.629 0.677 -3.313 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.070 1.950 -4.543 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.445 2.801 -5.959 1.00 0.00 H new ATOM 1267 N VAL A 95 1.575 -0.675 -1.398 1.00 0.00 N ATOM 1268 CA VAL A 95 1.098 -0.083 -0.164 1.00 0.00 C ATOM 1269 C VAL A 95 0.930 1.419 -0.345 1.00 0.00 C ATOM 1270 O VAL A 95 1.406 1.984 -1.327 1.00 0.00 O ATOM 1271 CB VAL A 95 2.085 -0.387 0.959 1.00 0.00 C ATOM 1272 CG1 VAL A 95 1.955 0.672 2.051 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.781 -1.762 1.545 1.00 0.00 C ATOM 0 H VAL A 95 2.545 -0.454 -1.622 1.00 0.00 H new ATOM 0 HA VAL A 95 0.129 -0.507 0.098 1.00 0.00 H new ATOM 0 HB VAL A 95 3.100 -0.378 0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.660 0.455 2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.172 1.655 1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.940 0.663 2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.486 -1.980 2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.766 -1.772 1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.874 -2.518 0.766 1.00 0.00 H new ATOM 1283 N GLY A 96 0.252 2.065 0.606 1.00 0.00 N ATOM 1284 CA GLY A 96 0.029 3.496 0.543 1.00 0.00 C ATOM 1285 C GLY A 96 -0.712 3.970 1.785 1.00 0.00 C ATOM 1286 O GLY A 96 -1.245 3.160 2.540 1.00 0.00 O ATOM 0 H GLY A 96 -0.149 1.612 1.427 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.983 4.016 0.460 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.547 3.742 -0.349 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.744 5.288 1.996 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.417 5.863 3.143 1.00 0.00 C ATOM 1292 C LEU A 97 -2.763 6.434 2.720 1.00 0.00 C ATOM 1293 O LEU A 97 -2.995 6.670 1.536 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.538 6.950 3.756 1.00 0.00 C ATOM 1295 CG LEU A 97 0.450 6.315 4.730 1.00 0.00 C ATOM 1296 CD1 LEU A 97 1.633 5.741 3.955 1.00 0.00 C ATOM 1297 CD2 LEU A 97 0.949 7.373 5.711 1.00 0.00 C ATOM 0 H LEU A 97 -0.307 5.973 1.379 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.592 5.090 3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.001 7.483 2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.156 7.683 4.274 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.046 5.515 5.280 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.339 5.288 4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.277 4.985 3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.129 6.540 3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.655 6.920 6.407 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.444 8.174 5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.105 7.782 6.266 1.00 0.00 H new ATOM 1309 N SER A 98 -3.651 6.655 3.691 1.00 0.00 N ATOM 1310 CA SER A 98 -4.966 7.198 3.414 1.00 0.00 C ATOM 1311 C SER A 98 -5.462 7.991 4.615 1.00 0.00 C ATOM 1312 O SER A 98 -5.583 7.449 5.712 1.00 0.00 O ATOM 1313 CB SER A 98 -5.926 6.058 3.085 1.00 0.00 C ATOM 1314 OG SER A 98 -7.203 6.586 2.806 1.00 0.00 O ATOM 0 H SER A 98 -3.475 6.463 4.677 1.00 0.00 H new ATOM 0 HA SER A 98 -4.913 7.871 2.558 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.558 5.494 2.228 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.983 5.363 3.923 1.00 0.00 H new ATOM 0 HG SER A 98 -7.820 5.855 2.593 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.749 9.277 4.406 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.229 10.137 5.469 1.00 0.00 C ATOM 1322 C ASP A 99 -7.643 10.603 5.156 1.00 0.00 C ATOM 1323 O ASP A 99 -8.265 10.115 4.215 1.00 0.00 O ATOM 1324 CB ASP A 99 -5.288 11.328 5.623 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.635 12.427 4.629 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.168 12.316 3.475 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -6.361 13.357 5.042 1.00 0.00 O ATOM 0 H ASP A 99 -5.654 9.740 3.502 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.250 9.584 6.408 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.352 11.718 6.639 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.258 11.005 5.469 1.00 0.00 H new ATOM 1332 N ALA A 100 -8.151 11.550 5.948 1.00 0.00 N ATOM 1333 CA ALA A 100 -9.487 12.075 5.752 1.00 0.00 C ATOM 1334 C ALA A 100 -9.710 12.381 4.278 1.00 0.00 C ATOM 1335 O ALA A 100 -10.790 12.134 3.747 1.00 0.00 O ATOM 1336 CB ALA A 100 -9.668 13.331 6.599 1.00 0.00 C ATOM 0 H ALA A 100 -7.648 11.965 6.732 1.00 0.00 H new ATOM 0 HA ALA A 100 -10.223 11.334 6.063 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.673 13.727 6.452 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.525 13.084 7.651 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.935 14.080 6.300 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.683 12.921 3.617 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.771 13.260 2.211 1.00 0.00 C ATOM 1344 C ALA A 101 -8.432 12.040 1.365 1.00 0.00 C ATOM 1345 O ALA A 101 -8.869 11.935 0.221 1.00 0.00 O ATOM 1346 CB ALA A 101 -7.819 14.412 1.905 1.00 0.00 C ATOM 0 H ALA A 101 -7.780 13.130 4.043 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.787 13.573 1.971 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.885 14.667 0.847 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.093 15.280 2.505 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.798 14.113 2.143 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.651 11.117 1.930 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.261 9.914 1.222 1.00 0.00 C ATOM 1354 C GLY A 102 -5.948 10.138 0.485 1.00 0.00 C ATOM 1355 O GLY A 102 -5.647 9.438 -0.479 1.00 0.00 O ATOM 0 H GLY A 102 -7.280 11.187 2.878 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.155 9.088 1.925 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.040 9.632 0.514 1.00 0.00 H new ATOM 1359 N ASN A 103 -5.165 11.119 0.942 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.891 11.428 0.324 1.00 0.00 C ATOM 1361 C ASN A 103 -2.984 10.206 0.365 1.00 0.00 C ATOM 1362 O ASN A 103 -3.462 9.074 0.342 1.00 0.00 O ATOM 1363 CB ASN A 103 -3.247 12.604 1.053 1.00 0.00 C ATOM 1364 CG ASN A 103 -2.674 12.164 2.393 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.269 11.128 2.988 1.00 0.00 O flip ATOM 1366 ND2 ASN A 103 -1.711 12.752 2.881 1.00 0.00 N flip ATOM 0 H ASN A 103 -5.400 11.709 1.740 1.00 0.00 H new ATOM 0 HA ASN A 103 -4.046 11.703 -0.719 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.455 13.030 0.437 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.987 13.389 1.209 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -1.290 13.539 2.387 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -1.333 12.453 3.780 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.671 10.437 0.425 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.709 9.354 0.469 1.00 0.00 C ATOM 1375 C GLY A 104 0.502 9.689 -0.391 1.00 0.00 C ATOM 1376 O GLY A 104 0.386 10.415 -1.375 1.00 0.00 O ATOM 0 H GLY A 104 -1.257 11.369 0.444 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.396 9.178 1.498 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -1.172 8.433 0.115 1.00 0.00 H new ATOM 1380 N PRO A 105 1.667 9.156 -0.015 1.00 0.00 N ATOM 1381 CA PRO A 105 2.920 9.362 -0.709 1.00 0.00 C ATOM 1382 C PRO A 105 2.909 8.591 -2.021 1.00 0.00 C ATOM 1383 O PRO A 105 2.057 7.731 -2.231 1.00 0.00 O ATOM 1384 CB PRO A 105 3.987 8.817 0.238 1.00 0.00 C ATOM 1385 CG PRO A 105 3.242 7.713 0.987 1.00 0.00 C ATOM 1386 CD PRO A 105 1.839 8.298 1.137 1.00 0.00 C ATOM 0 HA PRO A 105 3.101 10.408 -0.956 1.00 0.00 H new ATOM 0 HB2 PRO A 105 4.849 8.428 -0.304 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.358 9.586 0.915 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.233 6.778 0.427 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.698 7.501 1.954 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.084 7.512 1.160 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.743 8.860 2.066 1.00 0.00 H new ATOM 1394 N GLU A 106 3.860 8.901 -2.906 1.00 0.00 N ATOM 1395 CA GLU A 106 3.951 8.235 -4.190 1.00 0.00 C ATOM 1396 C GLU A 106 3.525 6.781 -4.053 1.00 0.00 C ATOM 1397 O GLU A 106 4.076 6.043 -3.239 1.00 0.00 O ATOM 1398 CB GLU A 106 5.383 8.332 -4.710 1.00 0.00 C ATOM 1399 CG GLU A 106 6.281 7.396 -3.906 1.00 0.00 C ATOM 1400 CD GLU A 106 7.739 7.820 -4.011 1.00 0.00 C ATOM 1401 OE1 GLU A 106 7.996 9.025 -3.798 1.00 0.00 O ATOM 1402 OE2 GLU A 106 8.568 6.931 -4.301 1.00 0.00 O ATOM 0 H GLU A 106 4.575 9.611 -2.748 1.00 0.00 H new ATOM 0 HA GLU A 106 3.284 8.720 -4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 106 5.416 8.066 -5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 106 5.742 9.358 -4.628 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.972 7.398 -2.861 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.168 6.375 -4.270 1.00 0.00 H new ATOM 1409 N GLY A 107 2.539 6.368 -4.853 1.00 0.00 N ATOM 1410 CA GLY A 107 2.048 5.005 -4.814 1.00 0.00 C ATOM 1411 C GLY A 107 3.204 4.032 -4.628 1.00 0.00 C ATOM 1412 O GLY A 107 4.239 4.163 -5.277 1.00 0.00 O ATOM 0 H GLY A 107 2.070 6.966 -5.534 1.00 0.00 H new ATOM 0 HA2 GLY A 107 1.334 4.892 -3.998 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.516 4.776 -5.738 1.00 0.00 H new ATOM 1416 N VAL A 108 3.025 3.055 -3.736 1.00 0.00 N ATOM 1417 CA VAL A 108 4.050 2.067 -3.468 1.00 0.00 C ATOM 1418 C VAL A 108 3.874 0.876 -4.399 1.00 0.00 C ATOM 1419 O VAL A 108 2.946 0.087 -4.231 1.00 0.00 O ATOM 1420 CB VAL A 108 3.966 1.630 -2.008 1.00 0.00 C ATOM 1421 CG1 VAL A 108 4.585 0.244 -1.855 1.00 0.00 C ATOM 1422 CG2 VAL A 108 4.724 2.626 -1.135 1.00 0.00 C ATOM 0 H VAL A 108 2.172 2.934 -3.189 1.00 0.00 H new ATOM 0 HA VAL A 108 5.034 2.500 -3.647 1.00 0.00 H new ATOM 0 HB VAL A 108 2.922 1.597 -1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 108 4.525 -0.068 -0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.043 -0.467 -2.478 1.00 0.00 H new ATOM 0 HG13 VAL A 108 5.630 0.276 -2.165 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.664 2.315 -0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 108 5.769 2.660 -1.445 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.281 3.616 -1.244 1.00 0.00 H new ATOM 1432 N ALA A 109 4.768 0.746 -5.382 1.00 0.00 N ATOM 1433 CA ALA A 109 4.706 -0.346 -6.332 1.00 0.00 C ATOM 1434 C ALA A 109 5.383 -1.577 -5.748 1.00 0.00 C ATOM 1435 O ALA A 109 6.523 -1.505 -5.295 1.00 0.00 O ATOM 1436 CB ALA A 109 5.381 0.076 -7.634 1.00 0.00 C ATOM 0 H ALA A 109 5.543 1.391 -5.534 1.00 0.00 H new ATOM 0 HA ALA A 109 3.665 -0.594 -6.541 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.335 -0.745 -8.350 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.868 0.945 -8.045 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.423 0.329 -7.438 1.00 0.00 H new ATOM 1442 N ILE A 110 4.677 -2.710 -5.759 1.00 0.00 N ATOM 1443 CA ILE A 110 5.210 -3.951 -5.233 1.00 0.00 C ATOM 1444 C ILE A 110 4.775 -5.113 -6.114 1.00 0.00 C ATOM 1445 O ILE A 110 4.171 -4.906 -7.164 1.00 0.00 O ATOM 1446 CB ILE A 110 4.724 -4.145 -3.799 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.199 -4.108 -3.770 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.277 -3.029 -2.919 1.00 0.00 C ATOM 1449 CD1 ILE A 110 2.687 -5.084 -2.713 1.00 0.00 C ATOM 0 H ILE A 110 3.730 -2.785 -6.131 1.00 0.00 H new ATOM 0 HA ILE A 110 6.299 -3.912 -5.230 1.00 0.00 H new ATOM 0 HB ILE A 110 5.071 -5.108 -3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 110 2.853 -3.099 -3.547 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.799 -4.373 -4.749 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.930 -3.167 -1.895 1.00 0.00 H new ATOM 0 HG22 ILE A 110 6.366 -3.055 -2.940 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.930 -2.065 -3.292 1.00 0.00 H new ATOM 0 HD11 ILE A 110 1.598 -5.058 -2.691 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.021 -6.092 -2.956 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.076 -4.799 -1.736 1.00 0.00 H new ATOM 1461 N SER A 111 5.083 -6.339 -5.684 1.00 0.00 N ATOM 1462 CA SER A 111 4.722 -7.524 -6.435 1.00 0.00 C ATOM 1463 C SER A 111 5.086 -8.770 -5.641 1.00 0.00 C ATOM 1464 O SER A 111 5.867 -8.699 -4.694 1.00 0.00 O ATOM 1465 CB SER A 111 5.440 -7.512 -7.781 1.00 0.00 C ATOM 1466 OG SER A 111 4.506 -7.270 -8.810 1.00 0.00 O ATOM 0 H SER A 111 5.583 -6.528 -4.815 1.00 0.00 H new ATOM 0 HA SER A 111 3.647 -7.532 -6.612 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.211 -6.742 -7.787 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.941 -8.466 -7.947 1.00 0.00 H new ATOM 0 HG SER A 111 4.089 -8.115 -9.079 1.00 0.00 H new ATOM 1472 N PHE A 112 4.520 -9.915 -6.028 1.00 0.00 N ATOM 1473 CA PHE A 112 4.790 -11.168 -5.352 1.00 0.00 C ATOM 1474 C PHE A 112 5.259 -12.208 -6.359 1.00 0.00 C ATOM 1475 O PHE A 112 4.486 -12.644 -7.209 1.00 0.00 O ATOM 1476 CB PHE A 112 3.528 -11.639 -4.634 1.00 0.00 C ATOM 1477 CG PHE A 112 3.202 -10.836 -3.397 1.00 0.00 C ATOM 1478 CD1 PHE A 112 2.997 -9.454 -3.493 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.103 -11.474 -2.155 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.693 -8.710 -2.347 1.00 0.00 C ATOM 1481 CE2 PHE A 112 2.799 -10.730 -1.009 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.594 -9.348 -1.105 1.00 0.00 C ATOM 0 H PHE A 112 3.870 -9.991 -6.810 1.00 0.00 H new ATOM 0 HA PHE A 112 5.580 -11.025 -4.615 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.686 -11.586 -5.324 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.647 -12.686 -4.356 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.073 -8.962 -4.451 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.261 -12.540 -2.081 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.535 -7.644 -2.421 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.723 -11.222 -0.051 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.359 -8.774 -0.221 1.00 0.00 H new ATOM 1492 N ASN A 113 6.529 -12.606 -6.261 1.00 0.00 N ATOM 1493 CA ASN A 113 7.091 -13.592 -7.162 1.00 0.00 C ATOM 1494 C ASN A 113 6.593 -13.344 -8.579 1.00 0.00 C ATOM 1495 O ASN A 113 7.352 -12.903 -9.438 1.00 0.00 O ATOM 1496 CB ASN A 113 6.703 -14.990 -6.689 1.00 0.00 C ATOM 1497 CG ASN A 113 6.628 -15.049 -5.170 1.00 0.00 C ATOM 1498 OD1 ASN A 113 7.503 -14.298 -4.498 1.00 0.00 O flip ATOM 1499 ND2 ASN A 113 5.794 -15.762 -4.616 1.00 0.00 N flip ATOM 0 H ASN A 113 7.183 -12.254 -5.562 1.00 0.00 H new ATOM 0 HA ASN A 113 8.178 -13.510 -7.163 1.00 0.00 H new ATOM 0 HB2 ASN A 113 5.739 -15.268 -7.116 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.432 -15.716 -7.049 1.00 0.00 H new ATOM 0 HD21 ASN A 113 5.146 -16.318 -5.175 1.00 0.00 H new ATOM 0 HD22 ASN A 113 5.749 -15.798 -3.598 1.00 0.00 H new