USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 701 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 2 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 6 THR OG1 : rot -65:sc= -0.635 USER MOD Single : A 1 MET CE :methyl -175:sc= 0 (180deg=-0.0398) USER MOD Single : A 1 MET N :NH3+ 167:sc= -1.26 (180deg=-1.95!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.916 K(o=-0.92,f=-3.4!) USER MOD Single : A 7 TYR OH : rot 30:sc= -2.96! USER MOD Single : A 9 MET CE :methyl 139:sc= -13! (180deg=-15.1!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.261! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0.712 K(o=0.71,f=-5!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -150:sc= -0.0958 (180deg=-0.709) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -2.35! C(o=-2.3!,f=-2.5!) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.843 F(o=-2.5!,f=-0.84) USER MOD Single : A 54 ASN : amide:sc= 1.09 K(o=1.1,f=-0.39) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 150:sc= -0.149 (180deg=-0.7) USER MOD Single : A 65 CYS SG : rot -56:sc= -2.69! USER MOD Single : A 68 ASN : amide:sc= -18.3! C(o=-18!,f=-27!) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -175:sc= -14.5! (180deg=-14.6!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -8.45! C(o=-8.5!,f=-8.4!) USER MOD Single : A 105 ASN :FLIP amide:sc= -4.13! C(o=-4.9!,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.418 17.695 0.416 1.00 0.00 N ATOM 2 CA MET A 1 2.603 18.275 -0.902 1.00 0.00 C ATOM 3 C MET A 1 1.256 18.547 -1.576 1.00 0.00 C ATOM 4 O MET A 1 1.109 18.350 -2.780 1.00 0.00 O ATOM 5 CB MET A 1 3.423 17.318 -1.771 1.00 0.00 C ATOM 6 CG MET A 1 4.909 17.680 -1.730 1.00 0.00 C ATOM 7 SD MET A 1 5.594 17.267 -0.133 1.00 0.00 S ATOM 8 CE MET A 1 7.115 16.483 -0.642 1.00 0.00 C ATOM 0 H1 MET A 1 3.325 17.319 0.760 1.00 0.00 H new ATOM 0 H2 MET A 1 2.075 18.426 1.072 1.00 0.00 H new ATOM 0 H3 MET A 1 1.722 16.924 0.361 1.00 0.00 H new ATOM 0 HA MET A 1 3.131 19.222 -0.790 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.284 16.295 -1.422 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.064 17.356 -2.799 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.444 17.144 -2.514 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.038 18.744 -1.926 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.628 16.083 0.232 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.892 15.672 -1.335 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.755 17.215 -1.135 1.00 0.00 H new ATOM 16 N SER A 2 0.307 18.998 -0.767 1.00 0.00 N ATOM 17 CA SER A 2 -1.022 19.299 -1.269 1.00 0.00 C ATOM 18 C SER A 2 -0.929 20.279 -2.441 1.00 0.00 C ATOM 19 O SER A 2 -1.307 19.948 -3.563 1.00 0.00 O ATOM 20 CB SER A 2 -1.910 19.876 -0.164 1.00 0.00 C ATOM 21 OG SER A 2 -3.294 19.649 -0.419 1.00 0.00 O ATOM 0 H SER A 2 0.433 19.162 0.232 1.00 0.00 H new ATOM 0 HA SER A 2 -1.476 18.370 -1.615 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.639 19.426 0.791 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.728 20.947 -0.075 1.00 0.00 H new ATOM 0 HG SER A 2 -3.828 20.030 0.309 1.00 0.00 H new ATOM 26 N LYS A 3 -0.424 21.467 -2.139 1.00 0.00 N ATOM 27 CA LYS A 3 -0.276 22.496 -3.154 1.00 0.00 C ATOM 28 C LYS A 3 0.232 21.860 -4.449 1.00 0.00 C ATOM 29 O LYS A 3 0.817 20.779 -4.426 1.00 0.00 O ATOM 30 CB LYS A 3 0.609 23.632 -2.638 1.00 0.00 C ATOM 31 CG LYS A 3 -0.232 24.854 -2.259 1.00 0.00 C ATOM 32 CD LYS A 3 0.634 25.936 -1.610 1.00 0.00 C ATOM 33 CE LYS A 3 0.021 27.323 -1.811 1.00 0.00 C ATOM 34 NZ LYS A 3 1.059 28.292 -2.231 1.00 0.00 N ATOM 0 H LYS A 3 -0.113 21.739 -1.207 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.241 22.951 -3.380 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.174 23.292 -1.770 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.335 23.909 -3.403 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.717 25.256 -3.149 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -1.024 24.556 -1.572 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.739 25.732 -0.544 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.635 25.911 -2.040 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.765 27.274 -2.564 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.445 27.659 -0.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.627 29.229 -2.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.795 28.351 -1.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.485 27.978 -3.126 1.00 0.00 H new ATOM 44 N SER A 4 -0.010 22.559 -5.549 1.00 0.00 N ATOM 45 CA SER A 4 0.417 22.078 -6.851 1.00 0.00 C ATOM 46 C SER A 4 -0.562 21.020 -7.364 1.00 0.00 C ATOM 47 O SER A 4 -1.293 21.259 -8.324 1.00 0.00 O ATOM 48 CB SER A 4 1.834 21.504 -6.790 1.00 0.00 C ATOM 49 OG SER A 4 2.450 21.463 -8.073 1.00 0.00 O ATOM 0 H SER A 4 -0.497 23.455 -5.564 1.00 0.00 H new ATOM 0 HA SER A 4 0.426 22.922 -7.541 1.00 0.00 H new ATOM 0 HB2 SER A 4 2.441 22.108 -6.116 1.00 0.00 H new ATOM 0 HB3 SER A 4 1.800 20.498 -6.372 1.00 0.00 H new ATOM 0 HG SER A 4 3.353 21.092 -7.990 1.00 0.00 H new ATOM 54 N ASN A 5 -0.544 19.873 -6.702 1.00 0.00 N ATOM 55 CA ASN A 5 -1.420 18.777 -7.080 1.00 0.00 C ATOM 56 C ASN A 5 -1.090 17.548 -6.230 1.00 0.00 C ATOM 57 O ASN A 5 0.059 17.111 -6.187 1.00 0.00 O ATOM 58 CB ASN A 5 -1.229 18.401 -8.550 1.00 0.00 C ATOM 59 CG ASN A 5 -2.419 18.862 -9.394 1.00 0.00 C ATOM 60 OD1 ASN A 5 -3.448 19.279 -8.888 1.00 0.00 O ATOM 61 ND2 ASN A 5 -2.221 18.765 -10.706 1.00 0.00 N ATOM 0 H ASN A 5 0.063 19.679 -5.906 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.449 19.099 -6.921 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -0.313 18.854 -8.929 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -1.111 17.321 -8.640 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -2.955 19.049 -11.355 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -1.335 18.407 -11.063 1.00 0.00 H new ATOM 67 N THR A 6 -2.118 17.025 -5.576 1.00 0.00 N ATOM 68 CA THR A 6 -1.949 15.857 -4.730 1.00 0.00 C ATOM 69 C THR A 6 -2.766 14.683 -5.276 1.00 0.00 C ATOM 70 O THR A 6 -3.713 14.879 -6.034 1.00 0.00 O ATOM 71 CB THR A 6 -2.331 16.249 -3.301 1.00 0.00 C ATOM 72 OG1 THR A 6 -2.529 17.658 -3.369 1.00 0.00 O ATOM 73 CG2 THR A 6 -1.170 16.083 -2.319 1.00 0.00 C ATOM 0 H THR A 6 -3.070 17.389 -5.616 1.00 0.00 H new ATOM 0 HA THR A 6 -0.913 15.519 -4.724 1.00 0.00 H new ATOM 0 HB THR A 6 -3.175 15.643 -2.971 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.680 18.098 -3.583 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.494 16.375 -1.320 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.850 15.041 -2.307 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.338 16.715 -2.629 1.00 0.00 H new ATOM 81 N TYR A 7 -2.366 13.486 -4.868 1.00 0.00 N ATOM 82 CA TYR A 7 -3.048 12.281 -5.308 1.00 0.00 C ATOM 83 C TYR A 7 -3.396 11.384 -4.117 1.00 0.00 C ATOM 84 O TYR A 7 -3.172 11.758 -2.967 1.00 0.00 O ATOM 85 CB TYR A 7 -2.059 11.543 -6.214 1.00 0.00 C ATOM 86 CG TYR A 7 -1.802 12.241 -7.551 1.00 0.00 C ATOM 87 CD1 TYR A 7 -2.856 12.514 -8.401 1.00 0.00 C ATOM 88 CD2 TYR A 7 -0.518 12.596 -7.908 1.00 0.00 C ATOM 89 CE1 TYR A 7 -2.613 13.171 -9.659 1.00 0.00 C ATOM 90 CE2 TYR A 7 -0.276 13.252 -9.167 1.00 0.00 C ATOM 91 CZ TYR A 7 -1.335 13.507 -9.981 1.00 0.00 C ATOM 92 OH TYR A 7 -1.107 14.126 -11.170 1.00 0.00 O ATOM 0 H TYR A 7 -1.579 13.326 -4.239 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.978 12.531 -5.820 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.112 11.431 -5.686 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.437 10.539 -6.406 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.861 12.235 -8.122 1.00 0.00 H new ATOM 0 HD2 TYR A 7 0.306 12.382 -7.243 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -3.428 13.392 -10.332 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.725 13.535 -9.458 1.00 0.00 H new ATOM 0 HH TYR A 7 -1.892 14.658 -11.418 1.00 0.00 H new ATOM 101 N ARG A 8 -3.939 10.217 -4.436 1.00 0.00 N ATOM 102 CA ARG A 8 -4.321 9.265 -3.407 1.00 0.00 C ATOM 103 C ARG A 8 -3.838 7.861 -3.778 1.00 0.00 C ATOM 104 O ARG A 8 -3.737 7.527 -4.957 1.00 0.00 O ATOM 105 CB ARG A 8 -5.839 9.241 -3.216 1.00 0.00 C ATOM 106 CG ARG A 8 -6.548 8.829 -4.507 1.00 0.00 C ATOM 107 CD ARG A 8 -7.270 7.491 -4.333 1.00 0.00 C ATOM 108 NE ARG A 8 -7.613 6.925 -5.657 1.00 0.00 N ATOM 109 CZ ARG A 8 -8.513 5.951 -5.848 1.00 0.00 C ATOM 110 NH1 ARG A 8 -9.166 5.428 -4.801 1.00 0.00 N ATOM 111 NH2 ARG A 8 -8.761 5.499 -7.085 1.00 0.00 N ATOM 0 H ARG A 8 -4.123 9.910 -5.391 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.854 9.579 -2.474 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.098 8.546 -2.417 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -6.186 10.227 -2.905 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.265 9.598 -4.794 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.822 8.752 -5.316 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.636 6.795 -3.784 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.175 7.631 -3.743 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.134 7.300 -6.476 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.978 5.771 -3.859 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.851 4.687 -4.946 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.264 5.896 -7.882 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.446 4.757 -7.229 1.00 0.00 H new ATOM 122 N MET A 9 -3.552 7.078 -2.748 1.00 0.00 N ATOM 123 CA MET A 9 -3.082 5.718 -2.951 1.00 0.00 C ATOM 124 C MET A 9 -4.067 4.704 -2.365 1.00 0.00 C ATOM 125 O MET A 9 -4.519 4.857 -1.231 1.00 0.00 O ATOM 126 CB MET A 9 -1.715 5.546 -2.286 1.00 0.00 C ATOM 127 CG MET A 9 -1.352 4.065 -2.157 1.00 0.00 C ATOM 128 SD MET A 9 0.377 3.896 -1.741 1.00 0.00 S ATOM 129 CE MET A 9 0.916 2.846 -3.082 1.00 0.00 C ATOM 0 H MET A 9 -3.637 7.359 -1.771 1.00 0.00 H new ATOM 0 HA MET A 9 -3.000 5.538 -4.023 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.954 6.061 -2.872 1.00 0.00 H new ATOM 0 HB3 MET A 9 -1.725 6.009 -1.299 1.00 0.00 H new ATOM 0 HG2 MET A 9 -1.967 3.597 -1.389 1.00 0.00 H new ATOM 0 HG3 MET A 9 -1.562 3.547 -3.093 1.00 0.00 H new ATOM 0 HE1 MET A 9 1.889 3.183 -3.439 1.00 0.00 H new ATOM 0 HE2 MET A 9 0.995 1.818 -2.730 1.00 0.00 H new ATOM 0 HE3 MET A 9 0.193 2.896 -3.896 1.00 0.00 H new ATOM 137 N LEU A 10 -4.372 3.693 -3.163 1.00 0.00 N ATOM 138 CA LEU A 10 -5.295 2.654 -2.739 1.00 0.00 C ATOM 139 C LEU A 10 -4.510 1.381 -2.416 1.00 0.00 C ATOM 140 O LEU A 10 -3.685 0.938 -3.214 1.00 0.00 O ATOM 141 CB LEU A 10 -6.393 2.453 -3.785 1.00 0.00 C ATOM 142 CG LEU A 10 -5.928 2.395 -5.242 1.00 0.00 C ATOM 143 CD1 LEU A 10 -6.820 1.465 -6.066 1.00 0.00 C ATOM 144 CD2 LEU A 10 -5.849 3.798 -5.848 1.00 0.00 C ATOM 0 H LEU A 10 -3.996 3.570 -4.103 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.810 2.951 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.921 1.527 -3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.114 3.264 -3.686 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.921 1.977 -5.263 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.468 1.442 -7.097 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.782 0.459 -5.647 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.847 1.830 -6.042 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.516 3.729 -6.884 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.833 4.265 -5.814 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.141 4.401 -5.279 1.00 0.00 H new ATOM 155 N VAL A 11 -4.798 0.827 -1.248 1.00 0.00 N ATOM 156 CA VAL A 11 -4.130 -0.387 -0.811 1.00 0.00 C ATOM 157 C VAL A 11 -5.085 -1.572 -0.962 1.00 0.00 C ATOM 158 O VAL A 11 -6.216 -1.528 -0.481 1.00 0.00 O ATOM 159 CB VAL A 11 -3.615 -0.215 0.620 1.00 0.00 C ATOM 160 CG1 VAL A 11 -4.774 -0.063 1.607 1.00 0.00 C ATOM 161 CG2 VAL A 11 -2.704 -1.379 1.018 1.00 0.00 C ATOM 0 H VAL A 11 -5.485 1.196 -0.591 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.259 -0.589 -1.435 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.024 0.700 0.655 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.379 0.058 2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.365 0.813 1.342 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.404 -0.951 1.568 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.352 -1.233 2.039 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.261 -2.314 0.957 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.850 -1.420 0.342 1.00 0.00 H new ATOM 171 N LEU A 12 -4.595 -2.603 -1.635 1.00 0.00 N ATOM 172 CA LEU A 12 -5.392 -3.799 -1.858 1.00 0.00 C ATOM 173 C LEU A 12 -4.714 -4.991 -1.182 1.00 0.00 C ATOM 174 O LEU A 12 -3.501 -5.166 -1.293 1.00 0.00 O ATOM 175 CB LEU A 12 -5.647 -4.001 -3.352 1.00 0.00 C ATOM 176 CG LEU A 12 -4.454 -3.749 -4.276 1.00 0.00 C ATOM 177 CD1 LEU A 12 -4.513 -4.657 -5.506 1.00 0.00 C ATOM 178 CD2 LEU A 12 -4.360 -2.271 -4.659 1.00 0.00 C ATOM 0 H LEU A 12 -3.657 -2.635 -2.033 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.376 -3.692 -1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.991 -5.024 -3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.461 -3.342 -3.654 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.542 -4.000 -3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.654 -4.458 -6.147 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.496 -5.700 -5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.431 -4.461 -6.059 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.504 -2.119 -5.316 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.272 -1.970 -5.176 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.238 -1.669 -3.759 1.00 0.00 H new ATOM 189 N LEU A 13 -5.526 -5.782 -0.495 1.00 0.00 N ATOM 190 CA LEU A 13 -5.020 -6.954 0.198 1.00 0.00 C ATOM 191 C LEU A 13 -5.925 -8.151 -0.105 1.00 0.00 C ATOM 192 O LEU A 13 -7.144 -8.008 -0.176 1.00 0.00 O ATOM 193 CB LEU A 13 -4.859 -6.667 1.691 1.00 0.00 C ATOM 194 CG LEU A 13 -4.776 -7.891 2.605 1.00 0.00 C ATOM 195 CD1 LEU A 13 -3.348 -8.101 3.113 1.00 0.00 C ATOM 196 CD2 LEU A 13 -5.784 -7.788 3.753 1.00 0.00 C ATOM 0 H LEU A 13 -6.531 -5.634 -0.404 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.023 -7.208 -0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.956 -6.072 1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.699 -6.053 2.015 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.042 -8.772 2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.317 -8.977 3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.679 -8.252 2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.029 -7.223 3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.704 -8.671 4.388 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.573 -6.896 4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.793 -7.724 3.346 1.00 0.00 H new ATOM 207 N GLU A 14 -5.293 -9.302 -0.273 1.00 0.00 N ATOM 208 CA GLU A 14 -6.026 -10.522 -0.567 1.00 0.00 C ATOM 209 C GLU A 14 -6.476 -11.196 0.732 1.00 0.00 C ATOM 210 O GLU A 14 -5.802 -11.091 1.755 1.00 0.00 O ATOM 211 CB GLU A 14 -5.185 -11.477 -1.418 1.00 0.00 C ATOM 212 CG GLU A 14 -3.932 -11.926 -0.662 1.00 0.00 C ATOM 213 CD GLU A 14 -3.592 -13.383 -0.982 1.00 0.00 C ATOM 214 OE1 GLU A 14 -3.485 -13.688 -2.188 1.00 0.00 O ATOM 215 OE2 GLU A 14 -3.449 -14.157 -0.011 1.00 0.00 O ATOM 0 H GLU A 14 -4.281 -9.416 -0.211 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.913 -10.260 -1.144 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.781 -12.348 -1.691 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.897 -10.984 -2.347 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.092 -11.285 -0.930 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.090 -11.813 0.411 1.00 0.00 H new ATOM 220 N ASP A 15 -7.611 -11.874 0.645 1.00 0.00 N ATOM 221 CA ASP A 15 -8.158 -12.565 1.801 1.00 0.00 C ATOM 222 C ASP A 15 -8.038 -14.075 1.591 1.00 0.00 C ATOM 223 O ASP A 15 -8.300 -14.576 0.499 1.00 0.00 O ATOM 224 CB ASP A 15 -9.639 -12.230 1.992 1.00 0.00 C ATOM 225 CG ASP A 15 -9.917 -10.911 2.718 1.00 0.00 C ATOM 226 OD1 ASP A 15 -9.997 -10.957 3.965 1.00 0.00 O ATOM 227 OD2 ASP A 15 -10.041 -9.890 2.010 1.00 0.00 O ATOM 0 H ASP A 15 -8.166 -11.960 -0.206 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.599 -12.246 2.681 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.117 -12.196 1.013 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -10.110 -13.040 2.549 1.00 0.00 H new ATOM 231 N ASP A 16 -7.642 -14.758 2.655 1.00 0.00 N ATOM 232 CA ASP A 16 -7.484 -16.202 2.602 1.00 0.00 C ATOM 233 C ASP A 16 -8.575 -16.861 3.447 1.00 0.00 C ATOM 234 O ASP A 16 -9.087 -16.257 4.388 1.00 0.00 O ATOM 235 CB ASP A 16 -6.126 -16.627 3.163 1.00 0.00 C ATOM 236 CG ASP A 16 -5.548 -17.908 2.557 1.00 0.00 C ATOM 237 OD1 ASP A 16 -6.130 -18.979 2.832 1.00 0.00 O ATOM 238 OD2 ASP A 16 -4.538 -17.786 1.831 1.00 0.00 O ATOM 0 H ASP A 16 -7.426 -14.338 3.559 1.00 0.00 H new ATOM 0 HA ASP A 16 -7.556 -16.512 1.560 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.415 -15.816 3.006 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.221 -16.763 4.240 1.00 0.00 H new ATOM 242 N THR A 17 -8.897 -18.093 3.082 1.00 0.00 N ATOM 243 CA THR A 17 -9.918 -18.842 3.795 1.00 0.00 C ATOM 244 C THR A 17 -11.146 -17.965 4.045 1.00 0.00 C ATOM 245 O THR A 17 -11.319 -16.935 3.395 1.00 0.00 O ATOM 246 CB THR A 17 -9.292 -19.392 5.079 1.00 0.00 C ATOM 247 OG1 THR A 17 -10.324 -20.189 5.655 1.00 0.00 O ATOM 248 CG2 THR A 17 -9.039 -18.299 6.120 1.00 0.00 C ATOM 0 H THR A 17 -8.469 -18.592 2.302 1.00 0.00 H new ATOM 0 HA THR A 17 -10.275 -19.685 3.204 1.00 0.00 H new ATOM 0 HB THR A 17 -8.353 -19.891 4.841 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.003 -20.586 6.491 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.594 -18.741 7.011 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.359 -17.554 5.707 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.983 -17.822 6.384 1.00 0.00 H new ATOM 256 N LYS A 18 -11.965 -18.405 4.988 1.00 0.00 N ATOM 257 CA LYS A 18 -13.173 -17.673 5.331 1.00 0.00 C ATOM 258 C LYS A 18 -12.840 -16.615 6.385 1.00 0.00 C ATOM 259 O LYS A 18 -11.931 -16.802 7.193 1.00 0.00 O ATOM 260 CB LYS A 18 -14.283 -18.637 5.756 1.00 0.00 C ATOM 261 CG LYS A 18 -13.897 -19.389 7.031 1.00 0.00 C ATOM 262 CD LYS A 18 -14.183 -20.886 6.893 1.00 0.00 C ATOM 263 CE LYS A 18 -14.288 -21.554 8.265 1.00 0.00 C ATOM 264 NZ LYS A 18 -15.323 -22.612 8.249 1.00 0.00 N ATOM 0 H LYS A 18 -11.816 -19.259 5.526 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.559 -17.145 4.459 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -15.207 -18.083 5.922 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.478 -19.349 4.954 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.839 -19.235 7.242 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.452 -18.986 7.878 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.112 -21.033 6.341 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.390 -21.359 6.314 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.325 -21.983 8.542 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.534 -20.808 9.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.381 -23.055 9.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.244 -22.193 8.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.073 -23.332 7.541 1.00 0.00 H new ATOM 274 N ILE A 19 -13.595 -15.527 6.345 1.00 0.00 N ATOM 275 CA ILE A 19 -13.392 -14.439 7.286 1.00 0.00 C ATOM 276 C ILE A 19 -14.379 -14.584 8.446 1.00 0.00 C ATOM 277 O ILE A 19 -15.558 -14.868 8.231 1.00 0.00 O ATOM 278 CB ILE A 19 -13.475 -13.089 6.572 1.00 0.00 C ATOM 279 CG1 ILE A 19 -12.342 -12.937 5.556 1.00 0.00 C ATOM 280 CG2 ILE A 19 -13.499 -11.937 7.578 1.00 0.00 C ATOM 281 CD1 ILE A 19 -10.975 -13.015 6.240 1.00 0.00 C ATOM 0 H ILE A 19 -14.349 -15.376 5.675 1.00 0.00 H new ATOM 0 HA ILE A 19 -12.390 -14.486 7.712 1.00 0.00 H new ATOM 0 HB ILE A 19 -14.413 -13.053 6.018 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.419 -13.719 4.801 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -12.439 -11.983 5.038 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.558 -10.989 7.044 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -14.366 -12.041 8.230 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -12.589 -11.959 8.178 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -10.188 -12.904 5.494 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.891 -12.217 6.978 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.871 -13.980 6.736 1.00 0.00 H new ATOM 292 N ASN A 20 -13.865 -14.382 9.650 1.00 0.00 N ATOM 293 CA ASN A 20 -14.687 -14.486 10.843 1.00 0.00 C ATOM 294 C ASN A 20 -15.740 -13.376 10.831 1.00 0.00 C ATOM 295 O ASN A 20 -16.079 -12.850 9.771 1.00 0.00 O ATOM 296 CB ASN A 20 -13.845 -14.323 12.109 1.00 0.00 C ATOM 297 CG ASN A 20 -12.481 -15.000 11.952 1.00 0.00 C ATOM 298 OD1 ASN A 20 -11.737 -14.744 11.018 1.00 0.00 O ATOM 299 ND2 ASN A 20 -12.196 -15.874 12.911 1.00 0.00 N ATOM 0 H ASN A 20 -12.888 -14.147 9.825 1.00 0.00 H new ATOM 0 HA ASN A 20 -15.154 -15.471 10.844 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -13.706 -13.263 12.324 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -14.373 -14.754 12.959 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -11.310 -16.378 12.894 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -12.864 -16.041 13.664 1.00 0.00 H new ATOM 305 N LYS A 21 -16.227 -13.051 12.019 1.00 0.00 N ATOM 306 CA LYS A 21 -17.234 -12.013 12.158 1.00 0.00 C ATOM 307 C LYS A 21 -16.609 -10.655 11.835 1.00 0.00 C ATOM 308 O LYS A 21 -17.312 -9.651 11.739 1.00 0.00 O ATOM 309 CB LYS A 21 -17.882 -12.078 13.541 1.00 0.00 C ATOM 310 CG LYS A 21 -19.357 -11.674 13.476 1.00 0.00 C ATOM 311 CD LYS A 21 -20.006 -11.738 14.860 1.00 0.00 C ATOM 312 CE LYS A 21 -21.331 -10.973 14.881 1.00 0.00 C ATOM 313 NZ LYS A 21 -22.397 -11.800 15.491 1.00 0.00 N ATOM 0 H LYS A 21 -15.943 -13.489 12.895 1.00 0.00 H new ATOM 0 HA LYS A 21 -18.043 -12.169 11.444 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -17.795 -13.089 13.940 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -17.351 -11.418 14.227 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -19.443 -10.664 13.077 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -19.888 -12.334 12.791 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -20.178 -12.778 15.137 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -19.328 -11.318 15.603 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -21.214 -10.047 15.444 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -21.614 -10.696 13.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -23.290 -11.266 15.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -22.519 -12.672 14.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -22.132 -12.043 16.467 1.00 0.00 H new ATOM 323 N GLU A 22 -15.293 -10.668 11.677 1.00 0.00 N ATOM 324 CA GLU A 22 -14.564 -9.450 11.369 1.00 0.00 C ATOM 325 C GLU A 22 -15.093 -8.828 10.074 1.00 0.00 C ATOM 326 O GLU A 22 -14.891 -7.640 9.824 1.00 0.00 O ATOM 327 CB GLU A 22 -13.061 -9.718 11.275 1.00 0.00 C ATOM 328 CG GLU A 22 -12.319 -8.496 10.728 1.00 0.00 C ATOM 329 CD GLU A 22 -11.004 -8.273 11.479 1.00 0.00 C ATOM 330 OE1 GLU A 22 -11.061 -8.255 12.727 1.00 0.00 O ATOM 331 OE2 GLU A 22 -9.974 -8.123 10.788 1.00 0.00 O ATOM 0 H GLU A 22 -14.713 -11.503 11.757 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.722 -8.740 12.181 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.671 -9.974 12.260 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.881 -10.577 10.628 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.117 -8.634 9.666 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.949 -7.612 10.820 1.00 0.00 H new ATOM 336 N ASP A 23 -15.757 -9.658 9.285 1.00 0.00 N ATOM 337 CA ASP A 23 -16.317 -9.206 8.023 1.00 0.00 C ATOM 338 C ASP A 23 -17.667 -9.887 7.794 1.00 0.00 C ATOM 339 O ASP A 23 -18.707 -9.231 7.798 1.00 0.00 O ATOM 340 CB ASP A 23 -15.401 -9.568 6.852 1.00 0.00 C ATOM 341 CG ASP A 23 -15.447 -8.597 5.670 1.00 0.00 C ATOM 342 OD1 ASP A 23 -16.577 -8.209 5.300 1.00 0.00 O ATOM 343 OD2 ASP A 23 -14.354 -8.265 5.164 1.00 0.00 O ATOM 0 H ASP A 23 -15.920 -10.643 9.495 1.00 0.00 H new ATOM 0 HA ASP A 23 -16.428 -8.123 8.074 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -14.375 -9.624 7.217 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -15.668 -10.563 6.496 1.00 0.00 H new ATOM 347 N GLU A 24 -17.608 -11.196 7.601 1.00 0.00 N ATOM 348 CA GLU A 24 -18.812 -11.976 7.373 1.00 0.00 C ATOM 349 C GLU A 24 -18.551 -13.456 7.660 1.00 0.00 C ATOM 350 O GLU A 24 -17.989 -14.163 6.825 1.00 0.00 O ATOM 351 CB GLU A 24 -19.332 -11.777 5.948 1.00 0.00 C ATOM 352 CG GLU A 24 -20.762 -11.230 5.957 1.00 0.00 C ATOM 353 CD GLU A 24 -21.183 -10.773 4.559 1.00 0.00 C ATOM 354 OE1 GLU A 24 -21.606 -11.652 3.778 1.00 0.00 O ATOM 355 OE2 GLU A 24 -21.073 -9.555 4.303 1.00 0.00 O ATOM 0 H GLU A 24 -16.743 -11.737 7.598 1.00 0.00 H new ATOM 0 HA GLU A 24 -19.583 -11.625 8.059 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -18.679 -11.089 5.412 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -19.305 -12.725 5.411 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -21.447 -11.999 6.314 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -20.831 -10.394 6.653 1.00 0.00 H new ATOM 360 N LYS A 25 -18.972 -13.880 8.842 1.00 0.00 N ATOM 361 CA LYS A 25 -18.790 -15.264 9.249 1.00 0.00 C ATOM 362 C LYS A 25 -19.997 -16.086 8.795 1.00 0.00 C ATOM 363 O LYS A 25 -19.846 -17.216 8.333 1.00 0.00 O ATOM 364 CB LYS A 25 -18.517 -15.349 10.752 1.00 0.00 C ATOM 365 CG LYS A 25 -18.595 -16.797 11.242 1.00 0.00 C ATOM 366 CD LYS A 25 -17.441 -17.116 12.195 1.00 0.00 C ATOM 367 CE LYS A 25 -17.859 -18.161 13.231 1.00 0.00 C ATOM 368 NZ LYS A 25 -18.913 -17.618 14.117 1.00 0.00 N ATOM 0 H LYS A 25 -19.439 -13.290 9.531 1.00 0.00 H new ATOM 0 HA LYS A 25 -17.912 -15.692 8.765 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -17.530 -14.940 10.970 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -19.241 -14.739 11.292 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -19.546 -16.963 11.748 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -18.565 -17.475 10.389 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -16.586 -17.483 11.627 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -17.120 -16.205 12.701 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -18.224 -19.056 12.727 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.995 -18.460 13.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -18.838 -18.059 15.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -18.794 -16.589 14.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -19.848 -17.824 13.711 1.00 0.00 H new ATOM 378 N PHE A 26 -21.170 -15.489 8.943 1.00 0.00 N ATOM 379 CA PHE A 26 -22.404 -16.151 8.554 1.00 0.00 C ATOM 380 C PHE A 26 -22.298 -16.717 7.137 1.00 0.00 C ATOM 381 O PHE A 26 -22.583 -17.893 6.912 1.00 0.00 O ATOM 382 CB PHE A 26 -23.509 -15.094 8.587 1.00 0.00 C ATOM 383 CG PHE A 26 -24.568 -15.334 9.666 1.00 0.00 C ATOM 384 CD1 PHE A 26 -25.267 -16.500 9.685 1.00 0.00 C ATOM 385 CD2 PHE A 26 -24.809 -14.381 10.605 1.00 0.00 C ATOM 386 CE1 PHE A 26 -26.249 -16.724 10.685 1.00 0.00 C ATOM 387 CE2 PHE A 26 -25.792 -14.603 11.606 1.00 0.00 C ATOM 388 CZ PHE A 26 -26.491 -15.770 11.626 1.00 0.00 C ATOM 0 H PHE A 26 -21.292 -14.552 9.328 1.00 0.00 H new ATOM 0 HA PHE A 26 -22.613 -16.978 9.233 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -23.057 -14.115 8.748 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -23.998 -15.063 7.613 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -25.075 -17.256 8.938 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -24.253 -13.455 10.590 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -26.804 -17.650 10.700 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -25.985 -13.845 12.351 1.00 0.00 H new ATOM 0 HZ PHE A 26 -27.237 -15.940 12.388 1.00 0.00 H new ATOM 397 N LEU A 27 -21.888 -15.855 6.219 1.00 0.00 N ATOM 398 CA LEU A 27 -21.741 -16.255 4.829 1.00 0.00 C ATOM 399 C LEU A 27 -20.738 -17.407 4.738 1.00 0.00 C ATOM 400 O LEU A 27 -19.840 -17.519 5.570 1.00 0.00 O ATOM 401 CB LEU A 27 -21.376 -15.050 3.960 1.00 0.00 C ATOM 402 CG LEU A 27 -19.933 -15.000 3.455 1.00 0.00 C ATOM 403 CD1 LEU A 27 -18.947 -15.328 4.578 1.00 0.00 C ATOM 404 CD2 LEU A 27 -19.744 -15.915 2.243 1.00 0.00 C ATOM 0 H LEU A 27 -21.653 -14.881 6.410 1.00 0.00 H new ATOM 0 HA LEU A 27 -22.688 -16.625 4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -22.043 -15.034 3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -21.572 -14.143 4.531 1.00 0.00 H new ATOM 0 HG LEU A 27 -19.722 -13.982 3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -17.929 -15.285 4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -19.060 -14.603 5.384 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -19.149 -16.329 4.959 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -18.710 -15.861 1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -19.981 -16.942 2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -20.407 -15.595 1.439 1.00 0.00 H new ATOM 415 N LYS A 28 -20.924 -18.232 3.718 1.00 0.00 N ATOM 416 CA LYS A 28 -20.045 -19.370 3.505 1.00 0.00 C ATOM 417 C LYS A 28 -18.636 -19.016 3.985 1.00 0.00 C ATOM 418 O LYS A 28 -18.306 -19.214 5.153 1.00 0.00 O ATOM 419 CB LYS A 28 -20.101 -19.825 2.047 1.00 0.00 C ATOM 420 CG LYS A 28 -19.178 -21.021 1.808 1.00 0.00 C ATOM 421 CD LYS A 28 -19.717 -21.919 0.693 1.00 0.00 C ATOM 422 CE LYS A 28 -20.567 -23.055 1.266 1.00 0.00 C ATOM 423 NZ LYS A 28 -21.871 -23.130 0.570 1.00 0.00 N ATOM 0 H LYS A 28 -21.671 -18.135 3.030 1.00 0.00 H new ATOM 0 HA LYS A 28 -20.378 -20.225 4.094 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -21.125 -20.094 1.786 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -19.811 -19.002 1.394 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -18.181 -20.668 1.545 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -19.079 -21.598 2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -20.315 -21.326 0.001 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.886 -22.334 0.122 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -20.037 -24.002 1.161 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -20.726 -22.895 2.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -22.435 -23.906 0.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -22.382 -22.232 0.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -21.714 -23.304 -0.443 1.00 0.00 H new ATOM 433 N GLY A 29 -17.842 -18.501 3.058 1.00 0.00 N ATOM 434 CA GLY A 29 -16.476 -18.117 3.370 1.00 0.00 C ATOM 435 C GLY A 29 -15.848 -17.332 2.216 1.00 0.00 C ATOM 436 O GLY A 29 -14.783 -17.697 1.720 1.00 0.00 O ATOM 0 H GLY A 29 -18.119 -18.341 2.090 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.463 -17.511 4.276 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.882 -19.008 3.574 1.00 0.00 H new ATOM 440 N LYS A 30 -16.535 -16.271 1.821 1.00 0.00 N ATOM 441 CA LYS A 30 -16.059 -15.433 0.733 1.00 0.00 C ATOM 442 C LYS A 30 -15.727 -14.042 1.274 1.00 0.00 C ATOM 443 O LYS A 30 -16.595 -13.361 1.819 1.00 0.00 O ATOM 444 CB LYS A 30 -17.069 -15.424 -0.415 1.00 0.00 C ATOM 445 CG LYS A 30 -16.557 -16.239 -1.604 1.00 0.00 C ATOM 446 CD LYS A 30 -17.561 -17.325 -1.997 1.00 0.00 C ATOM 447 CE LYS A 30 -17.018 -18.717 -1.667 1.00 0.00 C ATOM 448 NZ LYS A 30 -17.375 -19.679 -2.733 1.00 0.00 N ATOM 0 H LYS A 30 -17.418 -15.972 2.235 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.138 -15.838 0.313 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -18.019 -15.834 -0.071 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -17.259 -14.397 -0.728 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.379 -15.579 -2.453 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.601 -16.697 -1.351 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -18.502 -17.163 -1.471 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -17.776 -17.258 -3.063 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.935 -18.674 -1.556 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -17.423 -19.055 -0.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.999 -20.618 -2.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -18.410 -19.732 -2.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -16.967 -19.363 -3.636 1.00 0.00 H new ATOM 458 N PRO A 31 -14.438 -13.649 1.099 1.00 0.00 N ATOM 459 CA PRO A 31 -13.981 -12.351 1.566 1.00 0.00 C ATOM 460 C PRO A 31 -14.480 -11.233 0.647 1.00 0.00 C ATOM 461 O PRO A 31 -14.619 -10.088 1.077 1.00 0.00 O ATOM 462 CB PRO A 31 -12.464 -12.457 1.601 1.00 0.00 C ATOM 463 CG PRO A 31 -12.108 -13.642 0.718 1.00 0.00 C ATOM 464 CD PRO A 31 -13.383 -14.429 0.459 1.00 0.00 C ATOM 0 HA PRO A 31 -14.372 -12.096 2.551 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -12.000 -11.542 1.232 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -12.106 -12.608 2.620 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.672 -13.301 -0.221 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -11.363 -14.271 1.205 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -13.568 -14.543 -0.609 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -13.321 -15.432 0.881 1.00 0.00 H new ATOM 469 N GLY A 32 -14.736 -11.604 -0.599 1.00 0.00 N ATOM 470 CA GLY A 32 -15.218 -10.647 -1.581 1.00 0.00 C ATOM 471 C GLY A 32 -14.447 -10.776 -2.895 1.00 0.00 C ATOM 472 O GLY A 32 -14.696 -11.694 -3.677 1.00 0.00 O ATOM 0 H GLY A 32 -14.619 -12.554 -0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -16.281 -10.809 -1.761 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -15.112 -9.635 -1.191 1.00 0.00 H new ATOM 476 N LYS A 33 -13.527 -9.846 -3.100 1.00 0.00 N ATOM 477 CA LYS A 33 -12.718 -9.844 -4.307 1.00 0.00 C ATOM 478 C LYS A 33 -11.241 -9.965 -3.928 1.00 0.00 C ATOM 479 O LYS A 33 -10.865 -9.690 -2.788 1.00 0.00 O ATOM 480 CB LYS A 33 -13.035 -8.616 -5.163 1.00 0.00 C ATOM 481 CG LYS A 33 -13.405 -9.023 -6.591 1.00 0.00 C ATOM 482 CD LYS A 33 -14.920 -9.179 -6.741 1.00 0.00 C ATOM 483 CE LYS A 33 -15.276 -9.805 -8.090 1.00 0.00 C ATOM 484 NZ LYS A 33 -16.453 -9.132 -8.680 1.00 0.00 N ATOM 0 H LYS A 33 -13.323 -9.087 -2.450 1.00 0.00 H new ATOM 0 HA LYS A 33 -12.959 -10.707 -4.927 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.858 -8.059 -4.715 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.173 -7.950 -5.183 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -13.042 -8.272 -7.293 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.912 -9.961 -6.845 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -15.307 -9.801 -5.934 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -15.400 -8.205 -6.650 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -14.427 -9.727 -8.769 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -15.484 -10.867 -7.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -16.681 -9.570 -9.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -17.266 -9.228 -8.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -16.242 -8.124 -8.822 1.00 0.00 H new ATOM 494 N MET A 34 -10.444 -10.376 -4.902 1.00 0.00 N ATOM 495 CA MET A 34 -9.016 -10.537 -4.684 1.00 0.00 C ATOM 496 C MET A 34 -8.259 -9.259 -5.053 1.00 0.00 C ATOM 497 O MET A 34 -8.459 -8.703 -6.133 1.00 0.00 O ATOM 498 CB MET A 34 -8.498 -11.701 -5.532 1.00 0.00 C ATOM 499 CG MET A 34 -7.639 -12.650 -4.692 1.00 0.00 C ATOM 500 SD MET A 34 -8.456 -14.228 -4.528 1.00 0.00 S ATOM 501 CE MET A 34 -8.098 -14.587 -2.817 1.00 0.00 C ATOM 0 H MET A 34 -10.759 -10.603 -5.845 1.00 0.00 H new ATOM 0 HA MET A 34 -8.849 -10.744 -3.627 1.00 0.00 H new ATOM 0 HB2 MET A 34 -9.339 -12.247 -5.959 1.00 0.00 H new ATOM 0 HB3 MET A 34 -7.912 -11.316 -6.366 1.00 0.00 H new ATOM 0 HG2 MET A 34 -6.664 -12.783 -5.161 1.00 0.00 H new ATOM 0 HG3 MET A 34 -7.463 -12.218 -3.707 1.00 0.00 H new ATOM 0 HE1 MET A 34 -8.539 -15.546 -2.546 1.00 0.00 H new ATOM 0 HE2 MET A 34 -7.018 -14.630 -2.672 1.00 0.00 H new ATOM 0 HE3 MET A 34 -8.517 -13.804 -2.185 1.00 0.00 H new ATOM 509 N HIS A 35 -7.404 -8.830 -4.137 1.00 0.00 N ATOM 510 CA HIS A 35 -6.616 -7.629 -4.352 1.00 0.00 C ATOM 511 C HIS A 35 -7.533 -6.484 -4.782 1.00 0.00 C ATOM 512 O HIS A 35 -7.533 -6.087 -5.947 1.00 0.00 O ATOM 513 CB HIS A 35 -5.486 -7.892 -5.350 1.00 0.00 C ATOM 514 CG HIS A 35 -4.126 -8.047 -4.712 1.00 0.00 C ATOM 515 ND1 HIS A 35 -3.039 -8.578 -5.385 1.00 0.00 N ATOM 516 CD2 HIS A 35 -3.689 -7.735 -3.459 1.00 0.00 C ATOM 517 CE1 HIS A 35 -2.000 -8.581 -4.563 1.00 0.00 C ATOM 518 NE2 HIS A 35 -2.405 -8.059 -3.369 1.00 0.00 N ATOM 0 H HIS A 35 -7.240 -9.293 -3.243 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.136 -7.332 -3.419 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.716 -8.796 -5.914 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -5.449 -7.071 -6.066 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -4.286 -7.298 -2.673 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -1.007 -8.935 -4.797 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -1.818 -7.938 -2.544 1.00 0.00 H new ATOM 525 N GLU A 36 -8.293 -5.983 -3.819 1.00 0.00 N ATOM 526 CA GLU A 36 -9.214 -4.890 -4.085 1.00 0.00 C ATOM 527 C GLU A 36 -8.930 -3.718 -3.144 1.00 0.00 C ATOM 528 O GLU A 36 -8.415 -3.911 -2.044 1.00 0.00 O ATOM 529 CB GLU A 36 -10.667 -5.354 -3.960 1.00 0.00 C ATOM 530 CG GLU A 36 -11.368 -5.331 -5.320 1.00 0.00 C ATOM 531 CD GLU A 36 -11.508 -3.899 -5.841 1.00 0.00 C ATOM 532 OE1 GLU A 36 -10.457 -3.316 -6.184 1.00 0.00 O ATOM 533 OE2 GLU A 36 -12.661 -3.420 -5.882 1.00 0.00 O ATOM 0 H GLU A 36 -8.290 -6.313 -2.854 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.062 -4.553 -5.111 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.696 -6.363 -3.549 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.200 -4.709 -3.261 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.802 -5.928 -6.035 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.354 -5.788 -5.233 1.00 0.00 H new ATOM 538 N PHE A 37 -9.279 -2.528 -3.611 1.00 0.00 N ATOM 539 CA PHE A 37 -9.068 -1.325 -2.825 1.00 0.00 C ATOM 540 C PHE A 37 -9.875 -1.370 -1.526 1.00 0.00 C ATOM 541 O PHE A 37 -11.092 -1.543 -1.554 1.00 0.00 O ATOM 542 CB PHE A 37 -9.553 -0.147 -3.671 1.00 0.00 C ATOM 543 CG PHE A 37 -11.074 0.013 -3.704 1.00 0.00 C ATOM 544 CD1 PHE A 37 -11.706 0.702 -2.717 1.00 0.00 C ATOM 545 CD2 PHE A 37 -11.795 -0.535 -4.719 1.00 0.00 C ATOM 546 CE1 PHE A 37 -13.119 0.849 -2.746 1.00 0.00 C ATOM 547 CE2 PHE A 37 -13.206 -0.387 -4.749 1.00 0.00 C ATOM 548 CZ PHE A 37 -13.839 0.302 -3.761 1.00 0.00 C ATOM 0 H PHE A 37 -9.706 -2.372 -4.524 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.014 -1.232 -2.564 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -9.110 0.771 -3.285 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -9.189 -0.272 -4.691 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -11.134 1.138 -1.911 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -11.293 -1.083 -5.503 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -13.621 1.395 -1.961 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -13.777 -0.821 -5.556 1.00 0.00 H new ATOM 0 HZ PHE A 37 -14.913 0.414 -3.783 1.00 0.00 H new ATOM 557 N VAL A 38 -9.165 -1.212 -0.419 1.00 0.00 N ATOM 558 CA VAL A 38 -9.800 -1.234 0.887 1.00 0.00 C ATOM 559 C VAL A 38 -10.012 0.202 1.370 1.00 0.00 C ATOM 560 O VAL A 38 -10.974 0.487 2.083 1.00 0.00 O ATOM 561 CB VAL A 38 -8.970 -2.075 1.859 1.00 0.00 C ATOM 562 CG1 VAL A 38 -7.576 -1.474 2.054 1.00 0.00 C ATOM 563 CG2 VAL A 38 -9.691 -2.234 3.200 1.00 0.00 C ATOM 0 H VAL A 38 -8.155 -1.068 -0.400 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.781 -1.705 0.827 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.849 -3.067 1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.008 -2.092 2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.059 -1.437 1.095 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.668 -0.465 2.456 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.080 -2.836 3.873 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.858 -1.252 3.642 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.650 -2.728 3.041 1.00 0.00 H new ATOM 573 N ASP A 39 -9.097 1.070 0.963 1.00 0.00 N ATOM 574 CA ASP A 39 -9.171 2.471 1.347 1.00 0.00 C ATOM 575 C ASP A 39 -8.125 3.265 0.562 1.00 0.00 C ATOM 576 O ASP A 39 -7.192 2.689 0.005 1.00 0.00 O ATOM 577 CB ASP A 39 -8.879 2.651 2.838 1.00 0.00 C ATOM 578 CG ASP A 39 -7.881 1.652 3.426 1.00 0.00 C ATOM 579 OD1 ASP A 39 -6.679 1.801 3.117 1.00 0.00 O ATOM 580 OD2 ASP A 39 -8.342 0.761 4.173 1.00 0.00 O ATOM 0 H ASP A 39 -8.301 0.831 0.372 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.179 2.827 1.132 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.498 3.660 2.999 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.816 2.572 3.389 1.00 0.00 H new ATOM 584 N GLU A 40 -8.319 4.576 0.540 1.00 0.00 N ATOM 585 CA GLU A 40 -7.404 5.455 -0.169 1.00 0.00 C ATOM 586 C GLU A 40 -6.879 6.542 0.772 1.00 0.00 C ATOM 587 O GLU A 40 -7.613 7.038 1.625 1.00 0.00 O ATOM 588 CB GLU A 40 -8.078 6.071 -1.397 1.00 0.00 C ATOM 589 CG GLU A 40 -9.342 6.835 -1.004 1.00 0.00 C ATOM 590 CD GLU A 40 -10.581 5.944 -1.124 1.00 0.00 C ATOM 591 OE1 GLU A 40 -10.612 5.143 -2.083 1.00 0.00 O ATOM 592 OE2 GLU A 40 -11.468 6.086 -0.255 1.00 0.00 O ATOM 0 H GLU A 40 -9.095 5.050 1.001 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.558 4.864 -0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.383 6.745 -1.898 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.330 5.286 -2.110 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.248 7.198 0.020 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.456 7.710 -1.643 1.00 0.00 H new ATOM 597 N LEU A 41 -5.613 6.883 0.582 1.00 0.00 N ATOM 598 CA LEU A 41 -4.980 7.900 1.403 1.00 0.00 C ATOM 599 C LEU A 41 -4.281 8.918 0.498 1.00 0.00 C ATOM 600 O LEU A 41 -3.764 8.561 -0.560 1.00 0.00 O ATOM 601 CB LEU A 41 -4.053 7.257 2.436 1.00 0.00 C ATOM 602 CG LEU A 41 -4.668 6.145 3.288 1.00 0.00 C ATOM 603 CD1 LEU A 41 -4.633 4.806 2.549 1.00 0.00 C ATOM 604 CD2 LEU A 41 -3.988 6.063 4.656 1.00 0.00 C ATOM 0 H LEU A 41 -5.008 6.472 -0.129 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.729 8.445 1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.186 6.851 1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.687 8.038 3.102 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.716 6.389 3.464 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.076 4.033 3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.198 4.888 1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.600 4.542 2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.444 5.265 5.242 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.926 5.854 4.523 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.108 7.011 5.180 1.00 0.00 H new ATOM 615 N ILE A 42 -4.288 10.165 0.948 1.00 0.00 N ATOM 616 CA ILE A 42 -3.661 11.235 0.191 1.00 0.00 C ATOM 617 C ILE A 42 -2.188 11.340 0.588 1.00 0.00 C ATOM 618 O ILE A 42 -1.871 11.582 1.751 1.00 0.00 O ATOM 619 CB ILE A 42 -4.440 12.540 0.366 1.00 0.00 C ATOM 620 CG1 ILE A 42 -5.948 12.296 0.275 1.00 0.00 C ATOM 621 CG2 ILE A 42 -3.970 13.598 -0.635 1.00 0.00 C ATOM 622 CD1 ILE A 42 -6.331 11.741 -1.098 1.00 0.00 C ATOM 0 H ILE A 42 -4.717 10.457 1.826 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.688 11.014 -0.876 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.236 12.927 1.364 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.254 11.596 1.053 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.483 13.228 0.456 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.540 14.516 -0.489 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.910 13.800 -0.480 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.125 13.233 -1.650 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.408 11.576 -1.136 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.045 12.454 -1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.813 10.797 -1.266 1.00 0.00 H new ATOM 633 N LEU A 43 -1.326 11.153 -0.400 1.00 0.00 N ATOM 634 CA LEU A 43 0.106 11.225 -0.170 1.00 0.00 C ATOM 635 C LEU A 43 0.654 12.516 -0.784 1.00 0.00 C ATOM 636 O LEU A 43 0.097 13.033 -1.751 1.00 0.00 O ATOM 637 CB LEU A 43 0.797 9.960 -0.684 1.00 0.00 C ATOM 638 CG LEU A 43 0.010 9.134 -1.703 1.00 0.00 C ATOM 639 CD1 LEU A 43 0.948 8.271 -2.549 1.00 0.00 C ATOM 640 CD2 LEU A 43 -1.072 8.300 -1.016 1.00 0.00 C ATOM 0 H LEU A 43 -1.593 10.951 -1.364 1.00 0.00 H new ATOM 0 HA LEU A 43 0.317 11.264 0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.748 10.246 -1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.028 9.323 0.170 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.496 9.821 -2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.364 7.694 -3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.648 8.912 -3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.501 7.592 -1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.616 7.723 -1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.608 7.621 -0.300 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.764 8.961 -0.494 1.00 0.00 H new ATOM 651 N PRO A 44 1.766 13.013 -0.179 1.00 0.00 N ATOM 652 CA PRO A 44 2.394 14.234 -0.657 1.00 0.00 C ATOM 653 C PRO A 44 3.167 13.983 -1.952 1.00 0.00 C ATOM 654 O PRO A 44 4.284 14.471 -2.118 1.00 0.00 O ATOM 655 CB PRO A 44 3.284 14.690 0.488 1.00 0.00 C ATOM 656 CG PRO A 44 3.480 13.472 1.376 1.00 0.00 C ATOM 657 CD PRO A 44 2.454 12.428 0.968 1.00 0.00 C ATOM 0 HA PRO A 44 1.670 15.007 -0.915 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.240 15.060 0.116 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.820 15.506 1.042 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.490 13.078 1.266 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.355 13.740 2.425 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.932 11.485 0.704 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.759 12.217 1.781 1.00 0.00 H new ATOM 662 N PHE A 45 2.541 13.222 -2.839 1.00 0.00 N ATOM 663 CA PHE A 45 3.158 12.900 -4.115 1.00 0.00 C ATOM 664 C PHE A 45 2.711 13.878 -5.202 1.00 0.00 C ATOM 665 O PHE A 45 1.522 14.161 -5.337 1.00 0.00 O ATOM 666 CB PHE A 45 2.694 11.491 -4.492 1.00 0.00 C ATOM 667 CG PHE A 45 2.844 11.163 -5.979 1.00 0.00 C ATOM 668 CD1 PHE A 45 4.032 11.381 -6.606 1.00 0.00 C ATOM 669 CD2 PHE A 45 1.792 10.656 -6.673 1.00 0.00 C ATOM 670 CE1 PHE A 45 4.172 11.077 -7.986 1.00 0.00 C ATOM 671 CE2 PHE A 45 1.931 10.352 -8.053 1.00 0.00 C ATOM 672 CZ PHE A 45 3.119 10.568 -8.680 1.00 0.00 C ATOM 0 H PHE A 45 1.614 12.820 -2.699 1.00 0.00 H new ATOM 0 HA PHE A 45 4.243 12.963 -4.031 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.263 10.765 -3.911 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.648 11.376 -4.209 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.868 11.785 -6.054 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.849 10.484 -6.175 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.114 11.250 -8.484 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.094 9.950 -8.605 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.226 10.335 -9.729 1.00 0.00 H new ATOM 681 N ASN A 46 3.689 14.370 -5.948 1.00 0.00 N ATOM 682 CA ASN A 46 3.411 15.311 -7.021 1.00 0.00 C ATOM 683 C ASN A 46 3.927 14.738 -8.343 1.00 0.00 C ATOM 684 O ASN A 46 4.756 13.829 -8.349 1.00 0.00 O ATOM 685 CB ASN A 46 4.117 16.646 -6.777 1.00 0.00 C ATOM 686 CG ASN A 46 3.122 17.718 -6.330 1.00 0.00 C ATOM 687 OD1 ASN A 46 2.197 18.012 -7.240 1.00 0.00 O flip ATOM 688 ND2 ASN A 46 3.188 18.243 -5.231 1.00 0.00 N flip ATOM 0 H ASN A 46 4.675 14.135 -5.831 1.00 0.00 H new ATOM 0 HA ASN A 46 2.334 15.473 -7.058 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.888 16.520 -6.017 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.619 16.968 -7.689 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.924 17.971 -4.579 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.507 18.954 -4.964 1.00 0.00 H new ATOM 694 N VAL A 47 3.415 15.292 -9.432 1.00 0.00 N ATOM 695 CA VAL A 47 3.814 14.849 -10.756 1.00 0.00 C ATOM 696 C VAL A 47 5.225 15.356 -11.057 1.00 0.00 C ATOM 697 O VAL A 47 5.904 14.832 -11.939 1.00 0.00 O ATOM 698 CB VAL A 47 2.782 15.300 -11.793 1.00 0.00 C ATOM 699 CG1 VAL A 47 3.133 14.768 -13.183 1.00 0.00 C ATOM 700 CG2 VAL A 47 1.371 14.877 -11.381 1.00 0.00 C ATOM 0 H VAL A 47 2.727 16.045 -9.424 1.00 0.00 H new ATOM 0 HA VAL A 47 3.845 13.760 -10.800 1.00 0.00 H new ATOM 0 HB VAL A 47 2.804 16.389 -11.838 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.384 15.103 -13.901 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.113 15.143 -13.479 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.153 13.678 -13.161 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.657 15.209 -12.134 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.327 13.791 -11.294 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.122 15.328 -10.421 1.00 0.00 H new ATOM 710 N ASP A 48 5.626 16.372 -10.305 1.00 0.00 N ATOM 711 CA ASP A 48 6.945 16.956 -10.480 1.00 0.00 C ATOM 712 C ASP A 48 7.824 16.585 -9.284 1.00 0.00 C ATOM 713 O ASP A 48 8.626 17.396 -8.823 1.00 0.00 O ATOM 714 CB ASP A 48 6.866 18.483 -10.552 1.00 0.00 C ATOM 715 CG ASP A 48 8.064 19.161 -11.219 1.00 0.00 C ATOM 716 OD1 ASP A 48 9.134 19.189 -10.573 1.00 0.00 O ATOM 717 OD2 ASP A 48 7.883 19.638 -12.360 1.00 0.00 O ATOM 0 H ASP A 48 5.061 16.805 -9.574 1.00 0.00 H new ATOM 0 HA ASP A 48 7.364 16.572 -11.410 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.962 18.760 -11.095 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.763 18.875 -9.540 1.00 0.00 H new ATOM 721 N GLU A 49 7.645 15.359 -8.816 1.00 0.00 N ATOM 722 CA GLU A 49 8.412 14.869 -7.684 1.00 0.00 C ATOM 723 C GLU A 49 8.563 13.348 -7.762 1.00 0.00 C ATOM 724 O GLU A 49 8.575 12.668 -6.737 1.00 0.00 O ATOM 725 CB GLU A 49 7.768 15.288 -6.362 1.00 0.00 C ATOM 726 CG GLU A 49 8.510 16.474 -5.742 1.00 0.00 C ATOM 727 CD GLU A 49 7.868 16.890 -4.416 1.00 0.00 C ATOM 728 OE1 GLU A 49 6.632 16.738 -4.311 1.00 0.00 O ATOM 729 OE2 GLU A 49 8.628 17.352 -3.539 1.00 0.00 O ATOM 0 H GLU A 49 6.979 14.689 -9.201 1.00 0.00 H new ATOM 0 HA GLU A 49 9.405 15.316 -7.724 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.725 15.555 -6.530 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.774 14.448 -5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.554 16.208 -5.577 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.501 17.316 -6.435 1.00 0.00 H new ATOM 734 N LEU A 50 8.675 12.859 -8.988 1.00 0.00 N ATOM 735 CA LEU A 50 8.826 11.432 -9.215 1.00 0.00 C ATOM 736 C LEU A 50 10.210 10.987 -8.738 1.00 0.00 C ATOM 737 O LEU A 50 10.345 9.948 -8.096 1.00 0.00 O ATOM 738 CB LEU A 50 8.538 11.086 -10.677 1.00 0.00 C ATOM 739 CG LEU A 50 7.067 11.120 -11.097 1.00 0.00 C ATOM 740 CD1 LEU A 50 6.287 9.974 -10.449 1.00 0.00 C ATOM 741 CD2 LEU A 50 6.442 12.482 -10.795 1.00 0.00 C ATOM 0 H LEU A 50 8.664 13.426 -9.836 1.00 0.00 H new ATOM 0 HA LEU A 50 8.093 10.875 -8.631 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.092 11.779 -11.310 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.930 10.089 -10.878 1.00 0.00 H new ATOM 0 HG LEU A 50 7.015 10.976 -12.176 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.244 10.020 -10.763 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.717 9.021 -10.757 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.343 10.063 -9.364 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.396 12.479 -11.103 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.504 12.682 -9.725 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.979 13.258 -11.341 1.00 0.00 H new ATOM 752 N ASP A 51 11.204 11.798 -9.073 1.00 0.00 N ATOM 753 CA ASP A 51 12.573 11.504 -8.687 1.00 0.00 C ATOM 754 C ASP A 51 12.692 11.558 -7.163 1.00 0.00 C ATOM 755 O ASP A 51 13.248 10.651 -6.546 1.00 0.00 O ATOM 756 CB ASP A 51 13.544 12.529 -9.274 1.00 0.00 C ATOM 757 CG ASP A 51 13.728 12.450 -10.791 1.00 0.00 C ATOM 758 OD1 ASP A 51 12.925 13.101 -11.494 1.00 0.00 O ATOM 759 OD2 ASP A 51 14.668 11.741 -11.213 1.00 0.00 O ATOM 0 H ASP A 51 11.087 12.659 -9.608 1.00 0.00 H new ATOM 0 HA ASP A 51 12.824 10.513 -9.065 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.193 13.528 -9.017 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.516 12.401 -8.798 1.00 0.00 H new ATOM 763 N GLU A 52 12.160 12.633 -6.598 1.00 0.00 N ATOM 764 CA GLU A 52 12.200 12.820 -5.157 1.00 0.00 C ATOM 765 C GLU A 52 11.319 11.779 -4.462 1.00 0.00 C ATOM 766 O GLU A 52 11.645 11.314 -3.371 1.00 0.00 O ATOM 767 CB GLU A 52 11.775 14.239 -4.777 1.00 0.00 C ATOM 768 CG GLU A 52 12.632 14.777 -3.629 1.00 0.00 C ATOM 769 CD GLU A 52 11.925 15.931 -2.913 1.00 0.00 C ATOM 770 OE1 GLU A 52 10.679 15.887 -2.859 1.00 0.00 O ATOM 771 OE2 GLU A 52 12.651 16.831 -2.435 1.00 0.00 O ATOM 0 H GLU A 52 11.699 13.383 -7.112 1.00 0.00 H new ATOM 0 HA GLU A 52 13.227 12.681 -4.820 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.867 14.895 -5.643 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.725 14.242 -4.485 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.840 13.976 -2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.592 15.118 -4.016 1.00 0.00 H new ATOM 776 N LEU A 53 10.221 11.443 -5.123 1.00 0.00 N ATOM 777 CA LEU A 53 9.292 10.467 -4.581 1.00 0.00 C ATOM 778 C LEU A 53 9.906 9.070 -4.687 1.00 0.00 C ATOM 779 O LEU A 53 9.772 8.258 -3.773 1.00 0.00 O ATOM 780 CB LEU A 53 7.927 10.591 -5.261 1.00 0.00 C ATOM 781 CG LEU A 53 6.873 9.564 -4.844 1.00 0.00 C ATOM 782 CD1 LEU A 53 5.820 10.199 -3.934 1.00 0.00 C ATOM 783 CD2 LEU A 53 6.243 8.896 -6.069 1.00 0.00 C ATOM 0 H LEU A 53 9.954 11.829 -6.029 1.00 0.00 H new ATOM 0 HA LEU A 53 9.114 10.658 -3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.533 11.588 -5.061 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.072 10.516 -6.339 1.00 0.00 H new ATOM 0 HG LEU A 53 7.367 8.781 -4.269 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.082 9.448 -3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.302 10.589 -3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.325 11.013 -4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.497 8.170 -5.744 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.766 9.653 -6.691 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.017 8.388 -6.645 1.00 0.00 H new ATOM 794 N ASN A 54 10.566 8.833 -5.811 1.00 0.00 N ATOM 795 CA ASN A 54 11.201 7.548 -6.049 1.00 0.00 C ATOM 796 C ASN A 54 12.330 7.346 -5.035 1.00 0.00 C ATOM 797 O ASN A 54 12.571 6.228 -4.584 1.00 0.00 O ATOM 798 CB ASN A 54 11.810 7.485 -7.451 1.00 0.00 C ATOM 799 CG ASN A 54 10.877 6.754 -8.422 1.00 0.00 C ATOM 800 OD1 ASN A 54 10.902 5.541 -8.551 1.00 0.00 O ATOM 801 ND2 ASN A 54 10.056 7.558 -9.090 1.00 0.00 N ATOM 0 H ASN A 54 10.675 9.509 -6.567 1.00 0.00 H new ATOM 0 HA ASN A 54 10.440 6.773 -5.951 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.000 8.495 -7.815 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.772 6.974 -7.411 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.393 7.168 -9.760 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.089 8.565 -8.933 1.00 0.00 H new ATOM 807 N THR A 55 12.991 8.446 -4.707 1.00 0.00 N ATOM 808 CA THR A 55 14.088 8.406 -3.755 1.00 0.00 C ATOM 809 C THR A 55 13.554 8.220 -2.334 1.00 0.00 C ATOM 810 O THR A 55 14.095 7.429 -1.563 1.00 0.00 O ATOM 811 CB THR A 55 14.915 9.679 -3.933 1.00 0.00 C ATOM 812 OG1 THR A 55 16.263 9.244 -3.774 1.00 0.00 O ATOM 813 CG2 THR A 55 14.709 10.676 -2.789 1.00 0.00 C ATOM 0 H THR A 55 12.788 9.372 -5.084 1.00 0.00 H new ATOM 0 HA THR A 55 14.739 7.551 -3.937 1.00 0.00 H new ATOM 0 HB THR A 55 14.653 10.152 -4.879 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.868 10.008 -3.876 1.00 0.00 H new ATOM 0 HG21 THR A 55 15.319 11.562 -2.964 1.00 0.00 H new ATOM 0 HG22 THR A 55 13.658 10.962 -2.741 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.003 10.214 -1.846 1.00 0.00 H new ATOM 821 N TRP A 56 12.499 8.962 -2.031 1.00 0.00 N ATOM 822 CA TRP A 56 11.886 8.889 -0.715 1.00 0.00 C ATOM 823 C TRP A 56 11.226 7.516 -0.578 1.00 0.00 C ATOM 824 O TRP A 56 11.383 6.848 0.444 1.00 0.00 O ATOM 825 CB TRP A 56 10.909 10.047 -0.501 1.00 0.00 C ATOM 826 CG TRP A 56 9.465 9.604 -0.255 1.00 0.00 C ATOM 827 CD1 TRP A 56 8.534 9.282 -1.162 1.00 0.00 C ATOM 828 CD2 TRP A 56 8.821 9.447 1.028 1.00 0.00 C ATOM 829 NE1 TRP A 56 7.342 8.930 -0.563 1.00 0.00 N ATOM 830 CE2 TRP A 56 7.522 9.034 0.812 1.00 0.00 C ATOM 831 CE3 TRP A 56 9.319 9.648 2.327 1.00 0.00 C ATOM 832 CZ2 TRP A 56 6.615 8.786 1.848 1.00 0.00 C ATOM 833 CZ3 TRP A 56 8.400 9.395 3.351 1.00 0.00 C ATOM 834 CH2 TRP A 56 7.089 8.980 3.151 1.00 0.00 C ATOM 0 H TRP A 56 12.053 9.617 -2.674 1.00 0.00 H new ATOM 0 HA TRP A 56 12.637 8.994 0.068 1.00 0.00 H new ATOM 0 HB2 TRP A 56 11.246 10.641 0.348 1.00 0.00 H new ATOM 0 HB3 TRP A 56 10.935 10.697 -1.375 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.696 9.296 -2.230 1.00 0.00 H new ATOM 0 HE1 TRP A 56 6.487 8.646 -1.041 1.00 0.00 H new ATOM 0 HE3 TRP A 56 10.331 9.972 2.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 5.603 8.462 1.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 8.733 9.532 4.369 1.00 0.00 H new ATOM 0 HH2 TRP A 56 6.439 8.808 3.996 1.00 0.00 H new ATOM 844 N PHE A 57 10.501 7.135 -1.619 1.00 0.00 N ATOM 845 CA PHE A 57 9.816 5.854 -1.627 1.00 0.00 C ATOM 846 C PHE A 57 10.817 4.697 -1.644 1.00 0.00 C ATOM 847 O PHE A 57 10.573 3.649 -1.049 1.00 0.00 O ATOM 848 CB PHE A 57 8.974 5.804 -2.902 1.00 0.00 C ATOM 849 CG PHE A 57 8.214 4.489 -3.096 1.00 0.00 C ATOM 850 CD1 PHE A 57 7.415 4.014 -2.103 1.00 0.00 C ATOM 851 CD2 PHE A 57 8.339 3.797 -4.259 1.00 0.00 C ATOM 852 CE1 PHE A 57 6.710 2.795 -2.283 1.00 0.00 C ATOM 853 CE2 PHE A 57 7.633 2.577 -4.438 1.00 0.00 C ATOM 854 CZ PHE A 57 6.833 2.102 -3.447 1.00 0.00 C ATOM 0 H PHE A 57 10.373 7.692 -2.464 1.00 0.00 H new ATOM 0 HA PHE A 57 9.203 5.755 -0.731 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.258 6.626 -2.885 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.625 5.966 -3.761 1.00 0.00 H new ATOM 0 HD1 PHE A 57 7.317 4.564 -1.179 1.00 0.00 H new ATOM 0 HD2 PHE A 57 8.975 4.174 -5.047 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.075 2.417 -1.495 1.00 0.00 H new ATOM 0 HE2 PHE A 57 7.732 2.027 -5.362 1.00 0.00 H new ATOM 0 HZ PHE A 57 6.296 1.175 -3.584 1.00 0.00 H new ATOM 863 N ASP A 58 11.925 4.926 -2.335 1.00 0.00 N ATOM 864 CA ASP A 58 12.965 3.916 -2.439 1.00 0.00 C ATOM 865 C ASP A 58 13.492 3.587 -1.041 1.00 0.00 C ATOM 866 O ASP A 58 13.680 2.419 -0.703 1.00 0.00 O ATOM 867 CB ASP A 58 14.139 4.419 -3.280 1.00 0.00 C ATOM 868 CG ASP A 58 15.397 3.551 -3.220 1.00 0.00 C ATOM 869 OD1 ASP A 58 15.381 2.481 -3.870 1.00 0.00 O ATOM 870 OD2 ASP A 58 16.346 3.974 -2.527 1.00 0.00 O ATOM 0 H ASP A 58 12.125 5.796 -2.828 1.00 0.00 H new ATOM 0 HA ASP A 58 12.533 3.035 -2.913 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.817 4.494 -4.319 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.395 5.427 -2.953 1.00 0.00 H new ATOM 874 N LYS A 59 13.717 4.638 -0.265 1.00 0.00 N ATOM 875 CA LYS A 59 14.220 4.476 1.088 1.00 0.00 C ATOM 876 C LYS A 59 13.116 3.890 1.970 1.00 0.00 C ATOM 877 O LYS A 59 13.335 2.901 2.670 1.00 0.00 O ATOM 878 CB LYS A 59 14.789 5.795 1.610 1.00 0.00 C ATOM 879 CG LYS A 59 15.385 5.621 3.009 1.00 0.00 C ATOM 880 CD LYS A 59 14.283 5.444 4.056 1.00 0.00 C ATOM 881 CE LYS A 59 14.739 5.958 5.423 1.00 0.00 C ATOM 882 NZ LYS A 59 14.955 7.422 5.382 1.00 0.00 N ATOM 0 H LYS A 59 13.560 5.605 -0.548 1.00 0.00 H new ATOM 0 HA LYS A 59 15.050 3.770 1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.556 6.160 0.927 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.002 6.549 1.637 1.00 0.00 H new ATOM 0 HG2 LYS A 59 16.046 4.754 3.021 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.994 6.490 3.260 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.388 5.981 3.742 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.013 4.391 4.131 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.990 5.716 6.177 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.661 5.457 5.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.762 7.828 6.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.940 7.620 5.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.314 7.848 4.682 1.00 0.00 H new ATOM 892 N PHE A 60 11.954 4.522 1.909 1.00 0.00 N ATOM 893 CA PHE A 60 10.816 4.077 2.694 1.00 0.00 C ATOM 894 C PHE A 60 10.391 2.663 2.288 1.00 0.00 C ATOM 895 O PHE A 60 9.898 1.898 3.117 1.00 0.00 O ATOM 896 CB PHE A 60 9.666 5.043 2.404 1.00 0.00 C ATOM 897 CG PHE A 60 9.315 5.961 3.577 1.00 0.00 C ATOM 898 CD1 PHE A 60 10.245 6.825 4.066 1.00 0.00 C ATOM 899 CD2 PHE A 60 8.074 5.914 4.130 1.00 0.00 C ATOM 900 CE1 PHE A 60 9.920 7.678 5.154 1.00 0.00 C ATOM 901 CE2 PHE A 60 7.748 6.766 5.219 1.00 0.00 C ATOM 902 CZ PHE A 60 8.678 7.630 5.707 1.00 0.00 C ATOM 0 H PHE A 60 11.776 5.340 1.327 1.00 0.00 H new ATOM 0 HA PHE A 60 11.077 4.062 3.752 1.00 0.00 H new ATOM 0 HB2 PHE A 60 9.928 5.656 1.542 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.782 4.468 2.129 1.00 0.00 H new ATOM 0 HD1 PHE A 60 11.231 6.862 3.627 1.00 0.00 H new ATOM 0 HD2 PHE A 60 7.336 5.229 3.741 1.00 0.00 H new ATOM 0 HE1 PHE A 60 10.658 8.364 5.542 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.762 6.728 5.659 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.430 8.279 6.534 1.00 0.00 H new ATOM 911 N ASP A 61 10.599 2.359 1.016 1.00 0.00 N ATOM 912 CA ASP A 61 10.244 1.051 0.491 1.00 0.00 C ATOM 913 C ASP A 61 10.984 -0.029 1.285 1.00 0.00 C ATOM 914 O ASP A 61 10.395 -1.043 1.656 1.00 0.00 O ATOM 915 CB ASP A 61 10.649 0.918 -0.977 1.00 0.00 C ATOM 916 CG ASP A 61 10.530 -0.493 -1.557 1.00 0.00 C ATOM 917 OD1 ASP A 61 9.677 -1.247 -1.041 1.00 0.00 O ATOM 918 OD2 ASP A 61 11.291 -0.785 -2.504 1.00 0.00 O ATOM 0 H ASP A 61 11.009 2.996 0.333 1.00 0.00 H new ATOM 0 HA ASP A 61 9.164 0.934 0.579 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.031 1.592 -1.571 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.681 1.253 -1.085 1.00 0.00 H new ATOM 922 N ALA A 62 12.262 0.226 1.520 1.00 0.00 N ATOM 923 CA ALA A 62 13.088 -0.711 2.264 1.00 0.00 C ATOM 924 C ALA A 62 12.658 -0.709 3.731 1.00 0.00 C ATOM 925 O ALA A 62 12.560 -1.766 4.355 1.00 0.00 O ATOM 926 CB ALA A 62 14.562 -0.345 2.087 1.00 0.00 C ATOM 0 H ALA A 62 12.747 1.068 1.209 1.00 0.00 H new ATOM 0 HA ALA A 62 12.957 -1.724 1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 62 15.181 -1.048 2.645 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.824 -0.391 1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.733 0.665 2.460 1.00 0.00 H new ATOM 932 N GLU A 63 12.412 0.488 4.242 1.00 0.00 N ATOM 933 CA GLU A 63 11.996 0.641 5.626 1.00 0.00 C ATOM 934 C GLU A 63 10.661 -0.070 5.860 1.00 0.00 C ATOM 935 O GLU A 63 10.371 -0.500 6.975 1.00 0.00 O ATOM 936 CB GLU A 63 11.904 2.119 6.011 1.00 0.00 C ATOM 937 CG GLU A 63 13.155 2.564 6.774 1.00 0.00 C ATOM 938 CD GLU A 63 12.832 3.717 7.727 1.00 0.00 C ATOM 939 OE1 GLU A 63 12.289 4.728 7.232 1.00 0.00 O ATOM 940 OE2 GLU A 63 13.138 3.563 8.929 1.00 0.00 O ATOM 0 H GLU A 63 12.493 1.362 3.722 1.00 0.00 H new ATOM 0 HA GLU A 63 12.749 0.179 6.265 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.786 2.726 5.113 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.020 2.284 6.627 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.560 1.724 7.338 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.925 2.875 6.068 1.00 0.00 H new ATOM 945 N ILE A 64 9.885 -0.170 4.790 1.00 0.00 N ATOM 946 CA ILE A 64 8.588 -0.822 4.866 1.00 0.00 C ATOM 947 C ILE A 64 8.752 -2.311 4.553 1.00 0.00 C ATOM 948 O ILE A 64 8.001 -3.142 5.062 1.00 0.00 O ATOM 949 CB ILE A 64 7.578 -0.110 3.963 1.00 0.00 C ATOM 950 CG1 ILE A 64 7.007 1.130 4.651 1.00 0.00 C ATOM 951 CG2 ILE A 64 6.478 -1.071 3.507 1.00 0.00 C ATOM 952 CD1 ILE A 64 5.609 0.855 5.209 1.00 0.00 C ATOM 0 H ILE A 64 10.129 0.189 3.867 1.00 0.00 H new ATOM 0 HA ILE A 64 8.183 -0.751 5.876 1.00 0.00 H new ATOM 0 HB ILE A 64 8.099 0.230 3.068 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.670 1.439 5.459 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.963 1.956 3.941 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.773 -0.540 2.867 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.923 -1.896 2.951 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.953 -1.462 4.378 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.227 1.754 5.693 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.942 0.570 4.395 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.661 0.045 5.937 1.00 0.00 H new ATOM 963 N CYS A 65 9.737 -2.602 3.717 1.00 0.00 N ATOM 964 CA CYS A 65 10.008 -3.976 3.331 1.00 0.00 C ATOM 965 C CYS A 65 10.757 -4.660 4.476 1.00 0.00 C ATOM 966 O CYS A 65 10.641 -5.869 4.666 1.00 0.00 O ATOM 967 CB CYS A 65 10.787 -4.052 2.016 1.00 0.00 C ATOM 968 SG CYS A 65 12.580 -4.185 2.357 1.00 0.00 S ATOM 0 H CYS A 65 10.357 -1.910 3.296 1.00 0.00 H new ATOM 0 HA CYS A 65 9.067 -4.496 3.151 1.00 0.00 H new ATOM 0 HB2 CYS A 65 10.454 -4.913 1.436 1.00 0.00 H new ATOM 0 HB3 CYS A 65 10.588 -3.165 1.414 1.00 0.00 H new ATOM 0 HG CYS A 65 12.955 -3.189 3.104 1.00 0.00 H new ATOM 973 N ILE A 66 11.508 -3.853 5.214 1.00 0.00 N ATOM 974 CA ILE A 66 12.275 -4.364 6.337 1.00 0.00 C ATOM 975 C ILE A 66 11.333 -5.075 7.310 1.00 0.00 C ATOM 976 O ILE A 66 11.557 -6.233 7.663 1.00 0.00 O ATOM 977 CB ILE A 66 13.094 -3.244 6.980 1.00 0.00 C ATOM 978 CG1 ILE A 66 14.546 -3.280 6.501 1.00 0.00 C ATOM 979 CG2 ILE A 66 12.991 -3.297 8.506 1.00 0.00 C ATOM 980 CD1 ILE A 66 14.623 -3.171 4.977 1.00 0.00 C ATOM 0 H ILE A 66 11.601 -2.850 5.055 1.00 0.00 H new ATOM 0 HA ILE A 66 13.001 -5.103 5.999 1.00 0.00 H new ATOM 0 HB ILE A 66 12.675 -2.289 6.662 1.00 0.00 H new ATOM 0 HG12 ILE A 66 15.103 -2.461 6.956 1.00 0.00 H new ATOM 0 HG13 ILE A 66 15.018 -4.207 6.827 1.00 0.00 H new ATOM 0 HG21 ILE A 66 13.582 -2.490 8.939 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.949 -3.184 8.804 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.368 -4.255 8.863 1.00 0.00 H new ATOM 0 HD11 ILE A 66 15.666 -3.199 4.662 1.00 0.00 H new ATOM 0 HD12 ILE A 66 14.085 -4.004 4.525 1.00 0.00 H new ATOM 0 HD13 ILE A 66 14.172 -2.232 4.656 1.00 0.00 H new ATOM 991 N PRO A 67 10.273 -4.334 7.729 1.00 0.00 N ATOM 992 CA PRO A 67 9.297 -4.881 8.657 1.00 0.00 C ATOM 993 C PRO A 67 8.370 -5.875 7.954 1.00 0.00 C ATOM 994 O PRO A 67 7.449 -6.411 8.567 1.00 0.00 O ATOM 995 CB PRO A 67 8.562 -3.673 9.211 1.00 0.00 C ATOM 996 CG PRO A 67 8.830 -2.539 8.238 1.00 0.00 C ATOM 997 CD PRO A 67 9.976 -2.962 7.332 1.00 0.00 C ATOM 0 HA PRO A 67 9.756 -5.454 9.462 1.00 0.00 H new ATOM 0 HB2 PRO A 67 7.493 -3.871 9.295 1.00 0.00 H new ATOM 0 HB3 PRO A 67 8.919 -3.423 10.210 1.00 0.00 H new ATOM 0 HG2 PRO A 67 7.938 -2.322 7.650 1.00 0.00 H new ATOM 0 HG3 PRO A 67 9.086 -1.627 8.777 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.692 -2.906 6.281 1.00 0.00 H new ATOM 0 HD3 PRO A 67 10.844 -2.315 7.462 1.00 0.00 H new ATOM 1002 N ASN A 68 8.646 -6.092 6.676 1.00 0.00 N ATOM 1003 CA ASN A 68 7.849 -7.011 5.883 1.00 0.00 C ATOM 1004 C ASN A 68 8.534 -8.378 5.852 1.00 0.00 C ATOM 1005 O ASN A 68 9.761 -8.461 5.828 1.00 0.00 O ATOM 1006 CB ASN A 68 7.710 -6.517 4.442 1.00 0.00 C ATOM 1007 CG ASN A 68 6.672 -5.398 4.342 1.00 0.00 C ATOM 1008 OD1 ASN A 68 6.185 -5.061 3.277 1.00 0.00 O ATOM 1009 ND2 ASN A 68 6.365 -4.840 5.511 1.00 0.00 N ATOM 0 H ASN A 68 9.411 -5.646 6.170 1.00 0.00 H new ATOM 0 HA ASN A 68 6.860 -7.079 6.337 1.00 0.00 H new ATOM 0 HB2 ASN A 68 8.674 -6.156 4.083 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.419 -7.346 3.796 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.684 -4.082 5.551 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.811 -5.171 6.367 1.00 0.00 H new ATOM 1015 N GLU A 69 7.712 -9.418 5.851 1.00 0.00 N ATOM 1016 CA GLU A 69 8.224 -10.777 5.822 1.00 0.00 C ATOM 1017 C GLU A 69 7.650 -11.534 4.623 1.00 0.00 C ATOM 1018 O GLU A 69 6.992 -12.561 4.790 1.00 0.00 O ATOM 1019 CB GLU A 69 7.916 -11.507 7.130 1.00 0.00 C ATOM 1020 CG GLU A 69 9.168 -11.618 8.004 1.00 0.00 C ATOM 1021 CD GLU A 69 9.415 -13.066 8.427 1.00 0.00 C ATOM 1022 OE1 GLU A 69 9.733 -13.874 7.527 1.00 0.00 O ATOM 1023 OE2 GLU A 69 9.282 -13.334 9.640 1.00 0.00 O ATOM 0 H GLU A 69 6.695 -9.346 5.870 1.00 0.00 H new ATOM 0 HA GLU A 69 9.308 -10.734 5.715 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.135 -10.974 7.673 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.530 -12.503 6.913 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.033 -11.243 7.456 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.055 -10.991 8.889 1.00 0.00 H new ATOM 1028 N GLY A 70 7.919 -11.000 3.441 1.00 0.00 N ATOM 1029 CA GLY A 70 7.438 -11.613 2.214 1.00 0.00 C ATOM 1030 C GLY A 70 7.689 -10.702 1.012 1.00 0.00 C ATOM 1031 O GLY A 70 8.555 -9.831 1.058 1.00 0.00 O ATOM 0 H GLY A 70 8.464 -10.149 3.306 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.938 -12.569 2.061 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.372 -11.821 2.301 1.00 0.00 H new ATOM 1035 N HIS A 71 6.915 -10.936 -0.038 1.00 0.00 N ATOM 1036 CA HIS A 71 7.040 -10.146 -1.251 1.00 0.00 C ATOM 1037 C HIS A 71 5.999 -9.026 -1.246 1.00 0.00 C ATOM 1038 O HIS A 71 4.895 -9.201 -0.730 1.00 0.00 O ATOM 1039 CB HIS A 71 6.947 -11.037 -2.491 1.00 0.00 C ATOM 1040 CG HIS A 71 7.999 -12.120 -2.550 1.00 0.00 C ATOM 1041 ND1 HIS A 71 9.323 -11.863 -2.859 1.00 0.00 N ATOM 1042 CD2 HIS A 71 7.907 -13.464 -2.336 1.00 0.00 C ATOM 1043 CE1 HIS A 71 9.989 -13.007 -2.830 1.00 0.00 C ATOM 1044 NE2 HIS A 71 9.110 -13.998 -2.505 1.00 0.00 N ATOM 0 H HIS A 71 6.199 -11.662 -0.074 1.00 0.00 H new ATOM 0 HA HIS A 71 8.024 -9.678 -1.284 1.00 0.00 H new ATOM 0 HB2 HIS A 71 5.961 -11.501 -2.519 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.032 -10.413 -3.381 1.00 0.00 H new ATOM 0 HD2 HIS A 71 7.008 -14.002 -2.074 1.00 0.00 H new ATOM 0 HE1 HIS A 71 11.043 -13.133 -3.029 1.00 0.00 H new ATOM 0 HE2 HIS A 71 9.340 -14.987 -2.408 1.00 0.00 H new ATOM 1051 N ILE A 72 6.383 -7.900 -1.828 1.00 0.00 N ATOM 1052 CA ILE A 72 5.494 -6.752 -1.899 1.00 0.00 C ATOM 1053 C ILE A 72 5.663 -6.063 -3.254 1.00 0.00 C ATOM 1054 O ILE A 72 6.777 -5.952 -3.764 1.00 0.00 O ATOM 1055 CB ILE A 72 5.725 -5.823 -0.705 1.00 0.00 C ATOM 1056 CG1 ILE A 72 6.723 -4.717 -1.055 1.00 0.00 C ATOM 1057 CG2 ILE A 72 6.159 -6.615 0.531 1.00 0.00 C ATOM 1058 CD1 ILE A 72 6.902 -3.750 0.116 1.00 0.00 C ATOM 0 H ILE A 72 7.298 -7.757 -2.255 1.00 0.00 H new ATOM 0 HA ILE A 72 4.454 -7.071 -1.831 1.00 0.00 H new ATOM 0 HB ILE A 72 4.779 -5.339 -0.462 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.684 -5.159 -1.316 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.374 -4.171 -1.932 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.316 -5.931 1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.383 -7.334 0.793 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.087 -7.145 0.316 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.616 -2.974 -0.159 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.943 -3.291 0.359 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.274 -4.294 0.984 1.00 0.00 H new ATOM 1069 N LYS A 73 4.540 -5.622 -3.801 1.00 0.00 N ATOM 1070 CA LYS A 73 4.549 -4.948 -5.089 1.00 0.00 C ATOM 1071 C LYS A 73 3.630 -3.727 -5.028 1.00 0.00 C ATOM 1072 O LYS A 73 2.662 -3.711 -4.270 1.00 0.00 O ATOM 1073 CB LYS A 73 4.194 -5.928 -6.210 1.00 0.00 C ATOM 1074 CG LYS A 73 2.687 -5.936 -6.474 1.00 0.00 C ATOM 1075 CD LYS A 73 2.327 -4.987 -7.619 1.00 0.00 C ATOM 1076 CE LYS A 73 1.297 -5.623 -8.555 1.00 0.00 C ATOM 1077 NZ LYS A 73 1.970 -6.268 -9.705 1.00 0.00 N ATOM 0 H LYS A 73 3.618 -5.718 -3.376 1.00 0.00 H new ATOM 0 HA LYS A 73 5.550 -4.583 -5.320 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.725 -5.652 -7.121 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.525 -6.931 -5.940 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.362 -6.947 -6.719 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.154 -5.640 -5.570 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.930 -4.057 -7.214 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.226 -4.732 -8.181 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.708 -6.361 -8.010 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.603 -4.862 -8.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.257 -6.695 -10.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.512 -5.556 -10.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.614 -7.008 -9.360 1.00 0.00 H new ATOM 1087 N TYR A 74 3.967 -2.732 -5.836 1.00 0.00 N ATOM 1088 CA TYR A 74 3.184 -1.508 -5.881 1.00 0.00 C ATOM 1089 C TYR A 74 3.024 -1.014 -7.320 1.00 0.00 C ATOM 1090 O TYR A 74 3.767 -1.427 -8.209 1.00 0.00 O ATOM 1091 CB TYR A 74 3.977 -0.471 -5.085 1.00 0.00 C ATOM 1092 CG TYR A 74 5.482 -0.492 -5.358 1.00 0.00 C ATOM 1093 CD1 TYR A 74 5.982 0.084 -6.509 1.00 0.00 C ATOM 1094 CD2 TYR A 74 6.339 -1.086 -4.456 1.00 0.00 C ATOM 1095 CE1 TYR A 74 7.399 0.063 -6.766 1.00 0.00 C ATOM 1096 CE2 TYR A 74 7.755 -1.107 -4.712 1.00 0.00 C ATOM 1097 CZ TYR A 74 8.215 -0.530 -5.855 1.00 0.00 C ATOM 1098 OH TYR A 74 9.553 -0.550 -6.098 1.00 0.00 O ATOM 0 H TYR A 74 4.771 -2.748 -6.464 1.00 0.00 H new ATOM 0 HA TYR A 74 2.187 -1.675 -5.474 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.591 0.522 -5.316 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.809 -0.639 -4.021 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.311 0.550 -7.216 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.947 -1.536 -3.556 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.804 0.508 -7.663 1.00 0.00 H new ATOM 0 HE2 TYR A 74 8.436 -1.570 -4.013 1.00 0.00 H new ATOM 0 HH TYR A 74 10.012 -1.005 -5.362 1.00 0.00 H new ATOM 1107 N GLU A 75 2.047 -0.139 -7.506 1.00 0.00 N ATOM 1108 CA GLU A 75 1.779 0.415 -8.822 1.00 0.00 C ATOM 1109 C GLU A 75 1.585 1.930 -8.731 1.00 0.00 C ATOM 1110 O GLU A 75 0.626 2.401 -8.121 1.00 0.00 O ATOM 1111 CB GLU A 75 0.562 -0.256 -9.463 1.00 0.00 C ATOM 1112 CG GLU A 75 0.889 -0.754 -10.872 1.00 0.00 C ATOM 1113 CD GLU A 75 1.091 -2.271 -10.885 1.00 0.00 C ATOM 1114 OE1 GLU A 75 0.069 -2.978 -11.025 1.00 0.00 O ATOM 1115 OE2 GLU A 75 2.263 -2.687 -10.756 1.00 0.00 O ATOM 0 H GLU A 75 1.431 0.200 -6.767 1.00 0.00 H new ATOM 0 HA GLU A 75 2.640 0.216 -9.460 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.236 -1.092 -8.845 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.267 0.451 -9.506 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.081 -0.485 -11.553 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.790 -0.260 -11.236 1.00 0.00 H new ATOM 1120 N ILE A 76 2.509 2.652 -9.348 1.00 0.00 N ATOM 1121 CA ILE A 76 2.450 4.103 -9.345 1.00 0.00 C ATOM 1122 C ILE A 76 2.379 4.610 -10.787 1.00 0.00 C ATOM 1123 O ILE A 76 3.345 4.491 -11.539 1.00 0.00 O ATOM 1124 CB ILE A 76 3.618 4.685 -8.546 1.00 0.00 C ATOM 1125 CG1 ILE A 76 3.608 4.168 -7.106 1.00 0.00 C ATOM 1126 CG2 ILE A 76 3.618 6.213 -8.607 1.00 0.00 C ATOM 1127 CD1 ILE A 76 4.438 5.074 -6.193 1.00 0.00 C ATOM 0 H ILE A 76 3.303 2.259 -9.853 1.00 0.00 H new ATOM 0 HA ILE A 76 1.546 4.446 -8.841 1.00 0.00 H new ATOM 0 HB ILE A 76 4.547 4.346 -9.004 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.582 4.119 -6.741 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.006 3.154 -7.077 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.458 6.600 -8.031 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.710 6.536 -9.644 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.686 6.594 -8.190 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.415 4.685 -5.175 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.468 5.102 -6.547 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.023 6.082 -6.205 1.00 0.00 H new ATOM 1138 N SER A 77 1.226 5.166 -11.129 1.00 0.00 N ATOM 1139 CA SER A 77 1.017 5.691 -12.467 1.00 0.00 C ATOM 1140 C SER A 77 1.276 7.197 -12.486 1.00 0.00 C ATOM 1141 O SER A 77 0.612 7.954 -11.779 1.00 0.00 O ATOM 1142 CB SER A 77 -0.401 5.390 -12.960 1.00 0.00 C ATOM 1143 OG SER A 77 -0.451 4.206 -13.753 1.00 0.00 O ATOM 0 H SER A 77 0.427 5.264 -10.502 1.00 0.00 H new ATOM 0 HA SER A 77 1.720 5.201 -13.140 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.067 5.281 -12.104 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.768 6.234 -13.544 1.00 0.00 H new ATOM 0 HG SER A 77 -1.372 4.048 -14.047 1.00 0.00 H new ATOM 1148 N SER A 78 2.244 7.590 -13.301 1.00 0.00 N ATOM 1149 CA SER A 78 2.600 8.993 -13.421 1.00 0.00 C ATOM 1150 C SER A 78 1.340 9.837 -13.624 1.00 0.00 C ATOM 1151 O SER A 78 1.312 11.014 -13.270 1.00 0.00 O ATOM 1152 CB SER A 78 3.580 9.216 -14.574 1.00 0.00 C ATOM 1153 OG SER A 78 4.793 8.490 -14.391 1.00 0.00 O ATOM 0 H SER A 78 2.793 6.960 -13.885 1.00 0.00 H new ATOM 0 HA SER A 78 3.091 9.301 -12.498 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.113 8.912 -15.511 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.803 10.279 -14.660 1.00 0.00 H new ATOM 0 HG SER A 78 5.392 8.657 -15.149 1.00 0.00 H new ATOM 1158 N ASP A 79 0.326 9.201 -14.196 1.00 0.00 N ATOM 1159 CA ASP A 79 -0.933 9.879 -14.452 1.00 0.00 C ATOM 1160 C ASP A 79 -1.471 10.459 -13.142 1.00 0.00 C ATOM 1161 O ASP A 79 -2.274 11.389 -13.156 1.00 0.00 O ATOM 1162 CB ASP A 79 -1.978 8.907 -15.004 1.00 0.00 C ATOM 1163 CG ASP A 79 -2.783 9.432 -16.194 1.00 0.00 C ATOM 1164 OD1 ASP A 79 -3.161 10.623 -16.144 1.00 0.00 O ATOM 1165 OD2 ASP A 79 -3.004 8.630 -17.127 1.00 0.00 O ATOM 0 H ASP A 79 0.352 8.224 -14.489 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.750 10.666 -15.183 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.475 7.987 -15.302 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.670 8.647 -14.203 1.00 0.00 H new ATOM 1169 N GLY A 80 -1.005 9.885 -12.043 1.00 0.00 N ATOM 1170 CA GLY A 80 -1.428 10.333 -10.727 1.00 0.00 C ATOM 1171 C GLY A 80 -2.263 9.260 -10.026 1.00 0.00 C ATOM 1172 O GLY A 80 -3.267 9.569 -9.384 1.00 0.00 O ATOM 0 H GLY A 80 -0.338 9.113 -12.037 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.554 10.572 -10.122 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.011 11.249 -10.821 1.00 0.00 H new ATOM 1176 N LEU A 81 -1.817 8.020 -10.169 1.00 0.00 N ATOM 1177 CA LEU A 81 -2.509 6.900 -9.556 1.00 0.00 C ATOM 1178 C LEU A 81 -1.496 6.018 -8.824 1.00 0.00 C ATOM 1179 O LEU A 81 -0.528 5.550 -9.422 1.00 0.00 O ATOM 1180 CB LEU A 81 -3.337 6.147 -10.600 1.00 0.00 C ATOM 1181 CG LEU A 81 -4.755 5.755 -10.175 1.00 0.00 C ATOM 1182 CD1 LEU A 81 -4.732 4.918 -8.895 1.00 0.00 C ATOM 1183 CD2 LEU A 81 -5.647 6.990 -10.037 1.00 0.00 C ATOM 0 H LEU A 81 -0.984 7.767 -10.701 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.221 7.254 -8.811 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.405 6.765 -11.496 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.798 5.241 -10.878 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.187 5.132 -10.959 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.752 4.653 -8.615 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.155 4.009 -9.065 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.273 5.494 -8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.648 6.684 -9.734 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.229 7.658 -9.284 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.700 7.509 -10.994 1.00 0.00 H new ATOM 1194 N ILE A 82 -1.754 5.818 -7.540 1.00 0.00 N ATOM 1195 CA ILE A 82 -0.875 5.001 -6.718 1.00 0.00 C ATOM 1196 C ILE A 82 -1.680 3.850 -6.109 1.00 0.00 C ATOM 1197 O ILE A 82 -2.720 4.075 -5.492 1.00 0.00 O ATOM 1198 CB ILE A 82 -0.154 5.865 -5.683 1.00 0.00 C ATOM 1199 CG1 ILE A 82 0.319 7.183 -6.301 1.00 0.00 C ATOM 1200 CG2 ILE A 82 0.994 5.093 -5.029 1.00 0.00 C ATOM 1201 CD1 ILE A 82 -0.587 8.341 -5.880 1.00 0.00 C ATOM 0 H ILE A 82 -2.558 6.207 -7.048 1.00 0.00 H new ATOM 0 HA ILE A 82 -0.089 4.553 -7.326 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.863 6.117 -4.894 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.344 7.387 -5.991 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.325 7.098 -7.388 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.490 5.730 -4.297 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.600 4.207 -4.531 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.711 4.791 -5.793 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.229 9.266 -6.332 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.606 8.145 -6.213 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.572 8.439 -4.794 1.00 0.00 H new ATOM 1212 N VAL A 83 -1.166 2.645 -6.302 1.00 0.00 N ATOM 1213 CA VAL A 83 -1.822 1.459 -5.779 1.00 0.00 C ATOM 1214 C VAL A 83 -0.791 0.582 -5.068 1.00 0.00 C ATOM 1215 O VAL A 83 0.359 0.500 -5.493 1.00 0.00 O ATOM 1216 CB VAL A 83 -2.554 0.727 -6.906 1.00 0.00 C ATOM 1217 CG1 VAL A 83 -1.662 -0.347 -7.532 1.00 0.00 C ATOM 1218 CG2 VAL A 83 -3.870 0.126 -6.407 1.00 0.00 C ATOM 0 H VAL A 83 -0.302 2.464 -6.814 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.577 1.734 -5.043 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.793 1.457 -7.680 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.206 -0.852 -8.330 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.766 0.118 -7.942 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.378 -1.073 -6.770 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.370 -0.388 -7.228 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.665 -0.584 -5.605 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.514 0.921 -6.032 1.00 0.00 H new ATOM 1228 N LEU A 84 -1.242 -0.053 -3.994 1.00 0.00 N ATOM 1229 CA LEU A 84 -0.373 -0.920 -3.220 1.00 0.00 C ATOM 1230 C LEU A 84 -0.989 -2.319 -3.146 1.00 0.00 C ATOM 1231 O LEU A 84 -2.170 -2.465 -2.834 1.00 0.00 O ATOM 1232 CB LEU A 84 -0.084 -0.303 -1.849 1.00 0.00 C ATOM 1233 CG LEU A 84 1.267 -0.659 -1.225 1.00 0.00 C ATOM 1234 CD1 LEU A 84 1.384 -2.166 -0.990 1.00 0.00 C ATOM 1235 CD2 LEU A 84 2.421 -0.121 -2.074 1.00 0.00 C ATOM 0 H LEU A 84 -2.197 0.017 -3.644 1.00 0.00 H new ATOM 0 HA LEU A 84 0.596 -1.023 -3.709 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.145 0.781 -1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.872 -0.610 -1.161 1.00 0.00 H new ATOM 0 HG LEU A 84 1.330 -0.176 -0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.354 -2.391 -0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.592 -2.492 -0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.290 -2.691 -1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.370 -0.387 -1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.372 -0.556 -3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.344 0.964 -2.146 1.00 0.00 H new ATOM 1246 N MET A 85 -0.162 -3.311 -3.438 1.00 0.00 N ATOM 1247 CA MET A 85 -0.611 -4.694 -3.409 1.00 0.00 C ATOM 1248 C MET A 85 0.240 -5.527 -2.450 1.00 0.00 C ATOM 1249 O MET A 85 1.442 -5.684 -2.659 1.00 0.00 O ATOM 1250 CB MET A 85 -0.526 -5.289 -4.817 1.00 0.00 C ATOM 1251 CG MET A 85 -1.626 -4.722 -5.718 1.00 0.00 C ATOM 1252 SD MET A 85 -0.898 -3.849 -7.093 1.00 0.00 S ATOM 1253 CE MET A 85 -0.060 -2.536 -6.218 1.00 0.00 C ATOM 0 H MET A 85 0.817 -3.186 -3.696 1.00 0.00 H new ATOM 0 HA MET A 85 -1.643 -4.714 -3.059 1.00 0.00 H new ATOM 0 HB2 MET A 85 0.451 -5.072 -5.249 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.617 -6.374 -4.764 1.00 0.00 H new ATOM 0 HG2 MET A 85 -2.260 -5.530 -6.084 1.00 0.00 H new ATOM 0 HG3 MET A 85 -2.265 -4.049 -5.146 1.00 0.00 H new ATOM 0 HE1 MET A 85 0.377 -1.841 -6.936 1.00 0.00 H new ATOM 0 HE2 MET A 85 -0.774 -2.005 -5.588 1.00 0.00 H new ATOM 0 HE3 MET A 85 0.729 -2.959 -5.596 1.00 0.00 H new ATOM 1261 N LEU A 86 -0.415 -6.039 -1.419 1.00 0.00 N ATOM 1262 CA LEU A 86 0.266 -6.855 -0.429 1.00 0.00 C ATOM 1263 C LEU A 86 -0.476 -8.183 -0.269 1.00 0.00 C ATOM 1264 O LEU A 86 -1.698 -8.234 -0.395 1.00 0.00 O ATOM 1265 CB LEU A 86 0.432 -6.080 0.881 1.00 0.00 C ATOM 1266 CG LEU A 86 0.935 -4.641 0.751 1.00 0.00 C ATOM 1267 CD1 LEU A 86 0.811 -3.895 2.080 1.00 0.00 C ATOM 1268 CD2 LEU A 86 2.364 -4.608 0.206 1.00 0.00 C ATOM 0 H LEU A 86 -1.411 -5.904 -1.248 1.00 0.00 H new ATOM 0 HA LEU A 86 1.276 -7.094 -0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.530 -6.063 1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.124 -6.629 1.520 1.00 0.00 H new ATOM 0 HG LEU A 86 0.303 -4.121 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.175 -2.875 1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.234 -3.873 2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.403 -4.405 2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.698 -3.574 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.024 -5.149 0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.389 -5.077 -0.777 1.00 0.00 H new ATOM 1279 N ASP A 87 0.294 -9.225 0.007 1.00 0.00 N ATOM 1280 CA ASP A 87 -0.275 -10.550 0.188 1.00 0.00 C ATOM 1281 C ASP A 87 -0.750 -10.703 1.634 1.00 0.00 C ATOM 1282 O ASP A 87 -0.242 -10.033 2.532 1.00 0.00 O ATOM 1283 CB ASP A 87 0.764 -11.638 -0.087 1.00 0.00 C ATOM 1284 CG ASP A 87 0.669 -12.289 -1.468 1.00 0.00 C ATOM 1285 OD1 ASP A 87 0.457 -11.531 -2.439 1.00 0.00 O ATOM 1286 OD2 ASP A 87 0.811 -13.530 -1.523 1.00 0.00 O ATOM 0 H ASP A 87 1.308 -9.179 0.110 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.104 -10.659 -0.511 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.758 -11.207 0.027 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.664 -12.414 0.672 1.00 0.00 H new ATOM 1290 N LYS A 88 -1.717 -11.591 1.814 1.00 0.00 N ATOM 1291 CA LYS A 88 -2.266 -11.841 3.137 1.00 0.00 C ATOM 1292 C LYS A 88 -1.146 -12.312 4.068 1.00 0.00 C ATOM 1293 O LYS A 88 -1.198 -12.078 5.274 1.00 0.00 O ATOM 1294 CB LYS A 88 -3.445 -12.812 3.052 1.00 0.00 C ATOM 1295 CG LYS A 88 -4.050 -13.061 4.436 1.00 0.00 C ATOM 1296 CD LYS A 88 -5.344 -12.266 4.619 1.00 0.00 C ATOM 1297 CE LYS A 88 -5.859 -12.379 6.056 1.00 0.00 C ATOM 1298 NZ LYS A 88 -6.505 -13.693 6.273 1.00 0.00 N ATOM 0 H LYS A 88 -2.134 -12.146 1.067 1.00 0.00 H new ATOM 0 HA LYS A 88 -2.670 -10.922 3.563 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.207 -12.408 2.385 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.113 -13.756 2.621 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.251 -14.125 4.563 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.333 -12.778 5.207 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.169 -11.219 4.373 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -6.102 -12.634 3.927 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.033 -12.253 6.756 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.572 -11.579 6.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.849 -13.753 7.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -7.306 -13.799 5.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.815 -14.452 6.101 1.00 0.00 H new ATOM 1308 N GLU A 89 -0.160 -12.966 3.471 1.00 0.00 N ATOM 1309 CA GLU A 89 0.971 -13.471 4.232 1.00 0.00 C ATOM 1310 C GLU A 89 1.823 -12.311 4.747 1.00 0.00 C ATOM 1311 O GLU A 89 2.690 -12.504 5.600 1.00 0.00 O ATOM 1312 CB GLU A 89 1.808 -14.438 3.392 1.00 0.00 C ATOM 1313 CG GLU A 89 2.560 -13.693 2.286 1.00 0.00 C ATOM 1314 CD GLU A 89 3.987 -14.223 2.139 1.00 0.00 C ATOM 1315 OE1 GLU A 89 4.146 -15.233 1.421 1.00 0.00 O ATOM 1316 OE2 GLU A 89 4.886 -13.606 2.749 1.00 0.00 O ATOM 0 H GLU A 89 -0.121 -13.158 2.470 1.00 0.00 H new ATOM 0 HA GLU A 89 0.590 -14.024 5.090 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.519 -14.960 4.032 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.161 -15.196 2.950 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.028 -13.804 1.341 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.586 -12.627 2.513 1.00 0.00 H new ATOM 1321 N ILE A 90 1.550 -11.131 4.210 1.00 0.00 N ATOM 1322 CA ILE A 90 2.282 -9.941 4.605 1.00 0.00 C ATOM 1323 C ILE A 90 1.290 -8.835 4.971 1.00 0.00 C ATOM 1324 O ILE A 90 1.562 -7.656 4.754 1.00 0.00 O ATOM 1325 CB ILE A 90 3.277 -9.539 3.515 1.00 0.00 C ATOM 1326 CG1 ILE A 90 2.557 -8.917 2.316 1.00 0.00 C ATOM 1327 CG2 ILE A 90 4.152 -10.724 3.106 1.00 0.00 C ATOM 1328 CD1 ILE A 90 3.558 -8.348 1.310 1.00 0.00 C ATOM 0 H ILE A 90 0.831 -10.974 3.504 1.00 0.00 H new ATOM 0 HA ILE A 90 2.881 -10.139 5.494 1.00 0.00 H new ATOM 0 HB ILE A 90 3.940 -8.776 3.924 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.936 -9.669 1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.890 -8.126 2.658 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.850 -10.410 2.330 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.709 -11.081 3.972 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.522 -11.527 2.724 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.020 -7.912 0.468 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.161 -7.579 1.792 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.207 -9.147 0.951 1.00 0.00 H new ATOM 1339 N GLU A 91 0.160 -9.254 5.520 1.00 0.00 N ATOM 1340 CA GLU A 91 -0.873 -8.315 5.917 1.00 0.00 C ATOM 1341 C GLU A 91 -0.284 -7.228 6.820 1.00 0.00 C ATOM 1342 O GLU A 91 -0.840 -6.137 6.925 1.00 0.00 O ATOM 1343 CB GLU A 91 -2.033 -9.035 6.609 1.00 0.00 C ATOM 1344 CG GLU A 91 -3.189 -8.072 6.888 1.00 0.00 C ATOM 1345 CD GLU A 91 -4.057 -8.577 8.041 1.00 0.00 C ATOM 1346 OE1 GLU A 91 -3.465 -8.972 9.068 1.00 0.00 O ATOM 1347 OE2 GLU A 91 -5.296 -8.557 7.870 1.00 0.00 O ATOM 0 H GLU A 91 -0.063 -10.233 5.699 1.00 0.00 H new ATOM 0 HA GLU A 91 -1.268 -7.839 5.020 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.382 -9.856 5.982 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.687 -9.474 7.545 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.794 -7.085 7.130 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.798 -7.960 5.991 1.00 0.00 H new ATOM 1352 N GLU A 92 0.832 -7.568 7.448 1.00 0.00 N ATOM 1353 CA GLU A 92 1.501 -6.634 8.340 1.00 0.00 C ATOM 1354 C GLU A 92 1.841 -5.341 7.596 1.00 0.00 C ATOM 1355 O GLU A 92 1.586 -4.247 8.097 1.00 0.00 O ATOM 1356 CB GLU A 92 2.755 -7.263 8.949 1.00 0.00 C ATOM 1357 CG GLU A 92 3.832 -6.206 9.199 1.00 0.00 C ATOM 1358 CD GLU A 92 3.452 -5.306 10.377 1.00 0.00 C ATOM 1359 OE1 GLU A 92 2.352 -4.717 10.309 1.00 0.00 O ATOM 1360 OE2 GLU A 92 4.272 -5.226 11.317 1.00 0.00 O ATOM 0 H GLU A 92 1.290 -8.475 7.358 1.00 0.00 H new ATOM 0 HA GLU A 92 0.822 -6.391 9.158 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.500 -7.756 9.887 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.143 -8.031 8.280 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.785 -6.694 9.402 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.968 -5.601 8.303 1.00 0.00 H new ATOM 1365 N VAL A 93 2.410 -5.509 6.411 1.00 0.00 N ATOM 1366 CA VAL A 93 2.788 -4.368 5.594 1.00 0.00 C ATOM 1367 C VAL A 93 1.537 -3.554 5.255 1.00 0.00 C ATOM 1368 O VAL A 93 1.602 -2.331 5.140 1.00 0.00 O ATOM 1369 CB VAL A 93 3.547 -4.843 4.353 1.00 0.00 C ATOM 1370 CG1 VAL A 93 2.664 -5.737 3.479 1.00 0.00 C ATOM 1371 CG2 VAL A 93 4.086 -3.655 3.553 1.00 0.00 C ATOM 0 H VAL A 93 2.618 -6.418 5.997 1.00 0.00 H new ATOM 0 HA VAL A 93 3.465 -3.712 6.141 1.00 0.00 H new ATOM 0 HB VAL A 93 4.398 -5.437 4.687 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.227 -6.061 2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.350 -6.610 4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.785 -5.178 3.158 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.621 -4.020 2.676 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.256 -3.024 3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.765 -3.074 4.177 1.00 0.00 H new ATOM 1381 N VAL A 94 0.429 -4.265 5.107 1.00 0.00 N ATOM 1382 CA VAL A 94 -0.833 -3.624 4.783 1.00 0.00 C ATOM 1383 C VAL A 94 -1.106 -2.504 5.790 1.00 0.00 C ATOM 1384 O VAL A 94 -1.401 -1.375 5.404 1.00 0.00 O ATOM 1385 CB VAL A 94 -1.953 -4.666 4.731 1.00 0.00 C ATOM 1386 CG1 VAL A 94 -2.977 -4.425 5.841 1.00 0.00 C ATOM 1387 CG2 VAL A 94 -2.625 -4.681 3.357 1.00 0.00 C ATOM 0 H VAL A 94 0.379 -5.279 5.206 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.785 -3.168 3.794 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.507 -5.647 4.895 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.762 -5.179 5.782 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.484 -4.490 6.811 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.416 -3.434 5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.417 -5.430 3.347 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.051 -3.700 3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.886 -4.924 2.593 1.00 0.00 H new ATOM 1397 N GLU A 95 -0.997 -2.858 7.063 1.00 0.00 N ATOM 1398 CA GLU A 95 -1.226 -1.897 8.129 1.00 0.00 C ATOM 1399 C GLU A 95 -0.074 -0.893 8.197 1.00 0.00 C ATOM 1400 O GLU A 95 -0.281 0.275 8.519 1.00 0.00 O ATOM 1401 CB GLU A 95 -1.417 -2.604 9.472 1.00 0.00 C ATOM 1402 CG GLU A 95 -2.250 -3.878 9.307 1.00 0.00 C ATOM 1403 CD GLU A 95 -2.981 -4.227 10.606 1.00 0.00 C ATOM 1404 OE1 GLU A 95 -2.318 -4.167 11.664 1.00 0.00 O ATOM 1405 OE2 GLU A 95 -4.186 -4.545 10.510 1.00 0.00 O ATOM 0 H GLU A 95 -0.753 -3.796 7.380 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.144 -1.352 7.908 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.445 -2.853 9.897 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.909 -1.932 10.174 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.974 -3.742 8.503 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.602 -4.705 9.016 1.00 0.00 H new ATOM 1410 N LYS A 96 1.116 -1.387 7.886 1.00 0.00 N ATOM 1411 CA LYS A 96 2.303 -0.547 7.908 1.00 0.00 C ATOM 1412 C LYS A 96 2.245 0.441 6.742 1.00 0.00 C ATOM 1413 O LYS A 96 2.790 1.540 6.828 1.00 0.00 O ATOM 1414 CB LYS A 96 3.567 -1.408 7.922 1.00 0.00 C ATOM 1415 CG LYS A 96 3.483 -2.492 8.999 1.00 0.00 C ATOM 1416 CD LYS A 96 4.560 -2.288 10.067 1.00 0.00 C ATOM 1417 CE LYS A 96 4.143 -1.208 11.067 1.00 0.00 C ATOM 1418 NZ LYS A 96 4.231 -1.722 12.452 1.00 0.00 N ATOM 0 H LYS A 96 1.284 -2.357 7.618 1.00 0.00 H new ATOM 0 HA LYS A 96 2.336 0.043 8.824 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.706 -1.871 6.945 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.438 -0.778 8.103 1.00 0.00 H new ATOM 0 HG2 LYS A 96 2.497 -2.473 9.463 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.601 -3.474 8.541 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.738 -3.226 10.593 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.499 -2.005 9.592 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.785 -0.334 10.956 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.124 -0.884 10.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.945 -0.976 13.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.601 -2.542 12.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.210 -2.009 12.654 1.00 0.00 H new ATOM 1428 N VAL A 97 1.578 0.014 5.679 1.00 0.00 N ATOM 1429 CA VAL A 97 1.441 0.848 4.497 1.00 0.00 C ATOM 1430 C VAL A 97 0.412 1.948 4.771 1.00 0.00 C ATOM 1431 O VAL A 97 0.637 3.110 4.440 1.00 0.00 O ATOM 1432 CB VAL A 97 1.086 -0.015 3.285 1.00 0.00 C ATOM 1433 CG1 VAL A 97 0.255 0.775 2.273 1.00 0.00 C ATOM 1434 CG2 VAL A 97 2.346 -0.589 2.632 1.00 0.00 C ATOM 0 H VAL A 97 1.127 -0.898 5.612 1.00 0.00 H new ATOM 0 HA VAL A 97 2.386 1.338 4.263 1.00 0.00 H new ATOM 0 HB VAL A 97 0.480 -0.851 3.635 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.017 0.138 1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.668 1.112 2.744 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.824 1.640 1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.065 -1.198 1.773 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.989 0.227 2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.882 -1.205 3.354 1.00 0.00 H new ATOM 1444 N LYS A 98 -0.697 1.539 5.370 1.00 0.00 N ATOM 1445 CA LYS A 98 -1.762 2.473 5.689 1.00 0.00 C ATOM 1446 C LYS A 98 -1.219 3.560 6.621 1.00 0.00 C ATOM 1447 O LYS A 98 -1.467 4.746 6.408 1.00 0.00 O ATOM 1448 CB LYS A 98 -2.975 1.731 6.253 1.00 0.00 C ATOM 1449 CG LYS A 98 -3.970 1.385 5.143 1.00 0.00 C ATOM 1450 CD LYS A 98 -5.394 1.284 5.695 1.00 0.00 C ATOM 1451 CE LYS A 98 -5.950 2.669 6.033 1.00 0.00 C ATOM 1452 NZ LYS A 98 -6.788 2.608 7.251 1.00 0.00 N ATOM 0 H LYS A 98 -0.880 0.573 5.643 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.114 2.972 4.786 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.648 0.818 6.751 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.465 2.347 7.007 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.931 2.147 4.364 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.688 0.440 4.679 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.038 0.798 4.962 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.398 0.659 6.588 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.129 3.370 6.184 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.540 3.044 5.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.157 3.556 7.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.582 1.955 7.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.215 2.270 8.050 1.00 0.00 H new ATOM 1462 N LYS A 99 -0.489 3.116 7.633 1.00 0.00 N ATOM 1463 CA LYS A 99 0.091 4.036 8.598 1.00 0.00 C ATOM 1464 C LYS A 99 1.203 4.841 7.923 1.00 0.00 C ATOM 1465 O LYS A 99 1.381 6.023 8.211 1.00 0.00 O ATOM 1466 CB LYS A 99 0.549 3.281 9.848 1.00 0.00 C ATOM 1467 CG LYS A 99 1.603 2.229 9.498 1.00 0.00 C ATOM 1468 CD LYS A 99 3.015 2.804 9.619 1.00 0.00 C ATOM 1469 CE LYS A 99 3.711 2.292 10.880 1.00 0.00 C ATOM 1470 NZ LYS A 99 3.871 3.385 11.865 1.00 0.00 N ATOM 0 H LYS A 99 -0.285 2.132 7.806 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.657 4.751 8.941 1.00 0.00 H new ATOM 0 HB2 LYS A 99 0.959 3.985 10.572 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.307 2.800 10.321 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.499 1.370 10.161 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.439 1.869 8.482 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.599 2.530 8.741 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.967 3.893 9.643 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.130 1.481 11.319 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.687 1.881 10.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.345 3.019 12.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.444 4.146 11.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.936 3.758 12.124 1.00 0.00 H new ATOM 1480 N PHE A 100 1.922 4.169 7.037 1.00 0.00 N ATOM 1481 CA PHE A 100 3.012 4.806 6.319 1.00 0.00 C ATOM 1482 C PHE A 100 2.504 5.979 5.477 1.00 0.00 C ATOM 1483 O PHE A 100 3.005 7.096 5.595 1.00 0.00 O ATOM 1484 CB PHE A 100 3.615 3.751 5.389 1.00 0.00 C ATOM 1485 CG PHE A 100 3.978 4.278 4.000 1.00 0.00 C ATOM 1486 CD1 PHE A 100 4.825 5.336 3.873 1.00 0.00 C ATOM 1487 CD2 PHE A 100 3.452 3.693 2.891 1.00 0.00 C ATOM 1488 CE1 PHE A 100 5.160 5.825 2.583 1.00 0.00 C ATOM 1489 CE2 PHE A 100 3.788 4.182 1.602 1.00 0.00 C ATOM 1490 CZ PHE A 100 4.636 5.237 1.475 1.00 0.00 C ATOM 0 H PHE A 100 1.771 3.189 6.800 1.00 0.00 H new ATOM 0 HA PHE A 100 3.746 5.192 7.027 1.00 0.00 H new ATOM 0 HB2 PHE A 100 4.510 3.340 5.855 1.00 0.00 H new ATOM 0 HB3 PHE A 100 2.906 2.930 5.281 1.00 0.00 H new ATOM 0 HD1 PHE A 100 5.242 5.803 4.753 1.00 0.00 H new ATOM 0 HD2 PHE A 100 2.778 2.855 2.991 1.00 0.00 H new ATOM 0 HE1 PHE A 100 5.832 6.665 2.482 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.370 3.716 0.722 1.00 0.00 H new ATOM 0 HZ PHE A 100 4.893 5.608 0.494 1.00 0.00 H new ATOM 1499 N VAL A 101 1.513 5.684 4.647 1.00 0.00 N ATOM 1500 CA VAL A 101 0.931 6.700 3.787 1.00 0.00 C ATOM 1501 C VAL A 101 0.346 7.819 4.651 1.00 0.00 C ATOM 1502 O VAL A 101 0.640 8.993 4.432 1.00 0.00 O ATOM 1503 CB VAL A 101 -0.101 6.064 2.854 1.00 0.00 C ATOM 1504 CG1 VAL A 101 -0.821 7.130 2.024 1.00 0.00 C ATOM 1505 CG2 VAL A 101 0.547 5.013 1.951 1.00 0.00 C ATOM 0 H VAL A 101 1.099 4.757 4.552 1.00 0.00 H new ATOM 0 HA VAL A 101 1.695 7.147 3.151 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.844 5.561 3.473 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.549 6.651 1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.333 7.825 2.690 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.094 7.674 1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.210 4.577 1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.322 5.482 1.345 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.991 4.230 2.565 1.00 0.00 H new ATOM 1515 N GLU A 102 -0.469 7.416 5.614 1.00 0.00 N ATOM 1516 CA GLU A 102 -1.099 8.372 6.509 1.00 0.00 C ATOM 1517 C GLU A 102 -0.045 9.039 7.398 1.00 0.00 C ATOM 1518 O GLU A 102 -0.278 10.120 7.938 1.00 0.00 O ATOM 1519 CB GLU A 102 -2.181 7.699 7.356 1.00 0.00 C ATOM 1520 CG GLU A 102 -1.584 7.085 8.623 1.00 0.00 C ATOM 1521 CD GLU A 102 -1.752 8.024 9.819 1.00 0.00 C ATOM 1522 OE1 GLU A 102 -2.889 8.510 10.004 1.00 0.00 O ATOM 1523 OE2 GLU A 102 -0.740 8.236 10.520 1.00 0.00 O ATOM 0 H GLU A 102 -0.708 6.441 5.794 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.581 9.142 5.907 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.943 8.430 7.626 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.676 6.924 6.771 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.070 6.132 8.833 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.526 6.876 8.466 1.00 0.00 H new ATOM 1528 N GLU A 103 1.089 8.367 7.521 1.00 0.00 N ATOM 1529 CA GLU A 103 2.179 8.882 8.333 1.00 0.00 C ATOM 1530 C GLU A 103 2.830 10.085 7.647 1.00 0.00 C ATOM 1531 O GLU A 103 3.185 11.063 8.305 1.00 0.00 O ATOM 1532 CB GLU A 103 3.212 7.789 8.620 1.00 0.00 C ATOM 1533 CG GLU A 103 2.911 7.087 9.947 1.00 0.00 C ATOM 1534 CD GLU A 103 3.608 7.794 11.112 1.00 0.00 C ATOM 1535 OE1 GLU A 103 2.987 8.729 11.661 1.00 0.00 O ATOM 1536 OE2 GLU A 103 4.745 7.382 11.427 1.00 0.00 O ATOM 0 H GLU A 103 1.278 7.471 7.072 1.00 0.00 H new ATOM 0 HA GLU A 103 1.771 9.211 9.289 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.210 7.060 7.810 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.210 8.226 8.653 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.835 7.071 10.118 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.241 6.049 9.897 1.00 0.00 H new ATOM 1541 N ASN A 104 2.968 9.973 6.334 1.00 0.00 N ATOM 1542 CA ASN A 104 3.570 11.040 5.551 1.00 0.00 C ATOM 1543 C ASN A 104 2.481 12.023 5.116 1.00 0.00 C ATOM 1544 O ASN A 104 2.776 13.159 4.750 1.00 0.00 O ATOM 1545 CB ASN A 104 4.240 10.489 4.292 1.00 0.00 C ATOM 1546 CG ASN A 104 5.641 11.077 4.114 1.00 0.00 C ATOM 1547 OD1 ASN A 104 5.942 11.749 3.141 1.00 0.00 O ATOM 1548 ND2 ASN A 104 6.480 10.786 5.105 1.00 0.00 N ATOM 0 H ASN A 104 2.674 9.160 5.792 1.00 0.00 H new ATOM 0 HA ASN A 104 4.319 11.532 6.171 1.00 0.00 H new ATOM 0 HB2 ASN A 104 4.303 9.403 4.355 1.00 0.00 H new ATOM 0 HB3 ASN A 104 3.630 10.723 3.419 1.00 0.00 H new ATOM 0 HD21 ASN A 104 7.440 11.131 5.079 1.00 0.00 H new ATOM 0 HD22 ASN A 104 6.164 10.218 5.891 1.00 0.00 H new ATOM 1554 N ASN A 105 1.245 11.549 5.169 1.00 0.00 N ATOM 1555 CA ASN A 105 0.110 12.372 4.786 1.00 0.00 C ATOM 1556 C ASN A 105 0.324 13.798 5.298 1.00 0.00 C ATOM 1557 O ASN A 105 -0.594 14.617 5.266 1.00 0.00 O ATOM 1558 CB ASN A 105 -1.189 11.840 5.395 1.00 0.00 C ATOM 1559 CG ASN A 105 -2.128 11.314 4.309 1.00 0.00 C ATOM 1560 OD1 ASN A 105 -1.752 10.150 3.786 1.00 0.00 O flip ATOM 1561 ND2 ASN A 105 -3.127 11.925 3.968 1.00 0.00 N flip ATOM 0 H ASN A 105 1.004 10.605 5.471 1.00 0.00 H new ATOM 0 HA ASN A 105 0.032 12.352 3.699 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -0.963 11.043 6.103 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -1.684 12.633 5.956 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -3.357 12.814 4.411 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -3.732 11.547 3.239 1.00 0.00 H new TER 1567 ASN A 105