USER MOD reduce.3.24.130724 H: found=0, std=0, add=1012, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1007 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 113 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Set 1.2: A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 68 LYS NZ :NH3+ -175:sc= 0.511 (180deg=0.444) USER MOD Set 2.2: A 70 TYR OH : rot 180:sc= -0.816 USER MOD Set 3.1: A 54 THR OG1 : rot 23:sc= -0.0899! USER MOD Set 3.2: A 57 SER OG : rot -53:sc= 0.745 USER MOD Single : A 1 GLY N :NH3+ -144:sc= 0.0152 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 37:sc= 0.698 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.254 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0145 X(o=-0.014,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -7.62! C(o=-7.6!,f=-14!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.38) USER MOD Single : A 35 TYR OH : rot 150:sc= -0.103 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 42 HIS : no HD1:sc= 0.801 K(o=0.8,f=-3.9!) USER MOD Single : A 43 GLN : amide:sc= -0.108 K(o=-0.11,f=-1) USER MOD Single : A 46 THR OG1 : rot -27:sc= 0.596 USER MOD Single : A 48 ASN : amide:sc= -3.11! C(o=-3.1!,f=-3!) USER MOD Single : A 50 GLN : amide:sc= -0.175 K(o=-0.18,f=-1.3) USER MOD Single : A 52 HIS : no HE2:sc= -0.0225 K(o=-0.022,f=-0.77) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.548 X(o=-0.55,f=-0.13) USER MOD Single : A 69 SER OG : rot 180:sc= 0.116 USER MOD Single : A 71 SER OG : rot -57:sc= 1.22 USER MOD Single : A 72 MET CE :methyl -139:sc= -8.63! (180deg=-12.7!) USER MOD Single : A 75 ASN : amide:sc= -0.0185 X(o=-0.018,f=0) USER MOD Single : A 76 ASN : amide:sc= -3.47! C(o=-3.5!,f=-3!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 140:sc= -0.883 USER MOD Single : A 86 SER OG : rot 55:sc= 0.979 USER MOD Single : A 87 SER OG : rot 180:sc= -0.0199 USER MOD Single : A 88 LYS NZ :NH3+ 135:sc= -0.791 (180deg=-2.79) USER MOD Single : A 89 LYS NZ :NH3+ 161:sc= -0.236 (180deg=-0.878) USER MOD Single : A 91 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.409) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.00427 USER MOD Single : A 94 THR OG1 : rot -5:sc= 0.351! USER MOD Single : A 99 CYS SG : rot 180:sc= -0.591 USER MOD Single : A 101 LYS NZ :NH3+ -145:sc= 0.477 (180deg=0.0157) USER MOD Single : A 102 LYS NZ :NH3+ -148:sc= -0.123 (180deg=-0.784) USER MOD Single : A 105 ASN : amide:sc= -0.121 K(o=-0.12,f=-2.5!) USER MOD Single : A 106 THR OG1 : rot 19:sc= 0.481 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 CYS SG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 155:sc= -0.153 (180deg=-0.537) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 42:sc= 0.459 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.167 15.581 40.160 1.00 0.00 N ATOM 2 CA GLY A 1 1.143 15.089 39.254 1.00 0.00 C ATOM 3 C GLY A 1 0.668 13.695 39.668 1.00 0.00 C ATOM 4 O GLY A 1 0.497 13.420 40.855 1.00 0.00 O ATOM 0 H1 GLY A 1 2.053 16.607 40.288 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.074 15.105 41.080 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.107 15.384 39.761 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.298 15.778 39.246 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.537 15.056 38.238 1.00 0.00 H new ATOM 8 N SER A 2 0.470 12.850 38.666 1.00 0.00 N ATOM 9 CA SER A 2 0.019 11.491 38.911 1.00 0.00 C ATOM 10 C SER A 2 -1.404 11.505 39.475 1.00 0.00 C ATOM 11 O SER A 2 -1.596 11.659 40.680 1.00 0.00 O ATOM 12 CB SER A 2 0.962 10.762 39.870 1.00 0.00 C ATOM 13 OG SER A 2 2.298 10.719 39.376 1.00 0.00 O ATOM 0 H SER A 2 0.614 13.081 37.683 1.00 0.00 H new ATOM 0 HA SER A 2 0.022 10.954 37.963 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.950 11.261 40.839 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.602 9.746 40.030 1.00 0.00 H new ATOM 0 HG SER A 2 2.869 10.247 40.018 1.00 0.00 H new ATOM 19 N SER A 3 -2.363 11.343 38.576 1.00 0.00 N ATOM 20 CA SER A 3 -3.762 11.335 38.968 1.00 0.00 C ATOM 21 C SER A 3 -4.637 10.931 37.780 1.00 0.00 C ATOM 22 O SER A 3 -4.554 11.532 36.711 1.00 0.00 O ATOM 23 CB SER A 3 -4.192 12.703 39.502 1.00 0.00 C ATOM 24 OG SER A 3 -4.152 13.707 38.492 1.00 0.00 O ATOM 0 H SER A 3 -2.199 11.216 37.577 1.00 0.00 H new ATOM 0 HA SER A 3 -3.888 10.606 39.768 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.203 12.634 39.904 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.540 12.992 40.326 1.00 0.00 H new ATOM 0 HG SER A 3 -4.435 14.565 38.872 1.00 0.00 H new ATOM 30 N GLY A 4 -5.455 9.914 38.008 1.00 0.00 N ATOM 31 CA GLY A 4 -6.344 9.422 36.969 1.00 0.00 C ATOM 32 C GLY A 4 -7.022 8.119 37.399 1.00 0.00 C ATOM 33 O GLY A 4 -6.555 7.446 38.317 1.00 0.00 O ATOM 0 H GLY A 4 -5.521 9.417 38.896 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.101 10.174 36.747 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.780 9.257 36.051 1.00 0.00 H new ATOM 37 N SER A 5 -8.112 7.803 36.716 1.00 0.00 N ATOM 38 CA SER A 5 -8.859 6.593 37.016 1.00 0.00 C ATOM 39 C SER A 5 -10.118 6.527 36.149 1.00 0.00 C ATOM 40 O SER A 5 -10.822 7.524 35.993 1.00 0.00 O ATOM 41 CB SER A 5 -9.231 6.529 38.498 1.00 0.00 C ATOM 42 OG SER A 5 -10.306 5.625 38.740 1.00 0.00 O ATOM 0 H SER A 5 -8.496 8.364 35.956 1.00 0.00 H new ATOM 0 HA SER A 5 -8.225 5.735 36.791 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.361 6.221 39.077 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.509 7.524 38.845 1.00 0.00 H new ATOM 0 HG SER A 5 -10.513 5.611 39.698 1.00 0.00 H new ATOM 48 N SER A 6 -10.364 5.343 35.608 1.00 0.00 N ATOM 49 CA SER A 6 -11.526 5.134 34.761 1.00 0.00 C ATOM 50 C SER A 6 -11.542 3.696 34.240 1.00 0.00 C ATOM 51 O SER A 6 -10.509 3.028 34.218 1.00 0.00 O ATOM 52 CB SER A 6 -11.542 6.122 33.594 1.00 0.00 C ATOM 53 OG SER A 6 -12.865 6.532 33.259 1.00 0.00 O ATOM 0 H SER A 6 -9.778 4.518 35.740 1.00 0.00 H new ATOM 0 HA SER A 6 -12.421 5.307 35.359 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.946 6.997 33.852 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.074 5.662 32.724 1.00 0.00 H new ATOM 0 HG SER A 6 -12.832 7.164 32.511 1.00 0.00 H new ATOM 59 N GLY A 7 -12.725 3.260 33.833 1.00 0.00 N ATOM 60 CA GLY A 7 -12.888 1.913 33.313 1.00 0.00 C ATOM 61 C GLY A 7 -14.275 1.730 32.692 1.00 0.00 C ATOM 62 O GLY A 7 -15.282 1.749 33.398 1.00 0.00 O ATOM 0 H GLY A 7 -13.580 3.816 33.853 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.121 1.713 32.565 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.747 1.190 34.116 1.00 0.00 H new ATOM 66 N VAL A 8 -14.282 1.555 31.379 1.00 0.00 N ATOM 67 CA VAL A 8 -15.528 1.368 30.656 1.00 0.00 C ATOM 68 C VAL A 8 -15.403 0.150 29.738 1.00 0.00 C ATOM 69 O VAL A 8 -14.308 -0.181 29.287 1.00 0.00 O ATOM 70 CB VAL A 8 -15.894 2.649 29.902 1.00 0.00 C ATOM 71 CG1 VAL A 8 -14.938 2.888 28.732 1.00 0.00 C ATOM 72 CG2 VAL A 8 -17.346 2.609 29.425 1.00 0.00 C ATOM 0 H VAL A 8 -13.444 1.539 30.797 1.00 0.00 H new ATOM 0 HA VAL A 8 -16.345 1.170 31.350 1.00 0.00 H new ATOM 0 HB VAL A 8 -15.793 3.485 30.594 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -15.220 3.804 28.213 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.919 2.983 29.108 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.993 2.048 28.040 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -17.580 3.531 28.893 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -17.486 1.759 28.757 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -18.009 2.509 30.285 1.00 0.00 H new ATOM 82 N VAL A 9 -16.540 -0.483 29.490 1.00 0.00 N ATOM 83 CA VAL A 9 -16.571 -1.657 28.635 1.00 0.00 C ATOM 84 C VAL A 9 -16.531 -1.217 27.170 1.00 0.00 C ATOM 85 O VAL A 9 -17.089 -0.180 26.814 1.00 0.00 O ATOM 86 CB VAL A 9 -17.793 -2.516 28.968 1.00 0.00 C ATOM 87 CG1 VAL A 9 -17.743 -3.000 30.419 1.00 0.00 C ATOM 88 CG2 VAL A 9 -19.090 -1.755 28.689 1.00 0.00 C ATOM 0 H VAL A 9 -17.446 -0.205 29.866 1.00 0.00 H new ATOM 0 HA VAL A 9 -15.695 -2.281 28.811 1.00 0.00 H new ATOM 0 HB VAL A 9 -17.773 -3.393 28.321 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -18.623 -3.608 30.630 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -16.844 -3.597 30.573 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -17.727 -2.140 31.089 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -19.943 -2.388 28.934 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -19.121 -0.852 29.299 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -19.132 -1.482 27.635 1.00 0.00 H new ATOM 98 N ALA A 10 -15.866 -2.028 26.359 1.00 0.00 N ATOM 99 CA ALA A 10 -15.747 -1.735 24.941 1.00 0.00 C ATOM 100 C ALA A 10 -16.197 -2.954 24.133 1.00 0.00 C ATOM 101 O ALA A 10 -15.624 -4.034 24.262 1.00 0.00 O ATOM 102 CB ALA A 10 -14.307 -1.325 24.624 1.00 0.00 C ATOM 0 H ALA A 10 -15.404 -2.887 26.657 1.00 0.00 H new ATOM 0 HA ALA A 10 -16.392 -0.901 24.666 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -14.217 -1.105 23.560 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -14.046 -0.438 25.201 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -13.631 -2.139 24.884 1.00 0.00 H new ATOM 108 N PRO A 11 -17.246 -2.733 23.297 1.00 0.00 N ATOM 109 CA PRO A 11 -17.780 -3.801 22.468 1.00 0.00 C ATOM 110 C PRO A 11 -16.854 -4.092 21.286 1.00 0.00 C ATOM 111 O PRO A 11 -15.792 -3.483 21.159 1.00 0.00 O ATOM 112 CB PRO A 11 -19.156 -3.316 22.040 1.00 0.00 C ATOM 113 CG PRO A 11 -19.153 -1.811 22.256 1.00 0.00 C ATOM 114 CD PRO A 11 -17.950 -1.466 23.118 1.00 0.00 C ATOM 0 HA PRO A 11 -17.854 -4.750 23.000 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -19.349 -3.560 20.995 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -19.939 -3.794 22.629 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -19.101 -1.288 21.301 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -20.075 -1.493 22.743 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -17.315 -0.725 22.633 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -18.257 -1.045 24.075 1.00 0.00 H new ATOM 122 N ILE A 12 -17.289 -5.023 20.450 1.00 0.00 N ATOM 123 CA ILE A 12 -16.512 -5.403 19.282 1.00 0.00 C ATOM 124 C ILE A 12 -16.429 -4.214 18.322 1.00 0.00 C ATOM 125 O ILE A 12 -17.403 -3.887 17.647 1.00 0.00 O ATOM 126 CB ILE A 12 -17.088 -6.669 18.644 1.00 0.00 C ATOM 127 CG1 ILE A 12 -18.611 -6.582 18.530 1.00 0.00 C ATOM 128 CG2 ILE A 12 -16.641 -7.918 19.406 1.00 0.00 C ATOM 129 CD1 ILE A 12 -19.076 -6.935 17.115 1.00 0.00 C ATOM 0 H ILE A 12 -18.170 -5.526 20.558 1.00 0.00 H new ATOM 0 HA ILE A 12 -15.491 -5.655 19.569 1.00 0.00 H new ATOM 0 HB ILE A 12 -16.694 -6.751 17.631 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -19.072 -7.260 19.248 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -18.941 -5.575 18.785 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -17.064 -8.804 18.932 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -15.553 -7.983 19.392 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -16.987 -7.858 20.438 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -20.162 -6.865 17.061 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -18.632 -6.240 16.402 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -18.765 -7.951 16.873 1.00 0.00 H new ATOM 141 N THR A 13 -15.255 -3.601 18.292 1.00 0.00 N ATOM 142 CA THR A 13 -15.031 -2.456 17.426 1.00 0.00 C ATOM 143 C THR A 13 -13.808 -2.690 16.537 1.00 0.00 C ATOM 144 O THR A 13 -12.688 -2.798 17.033 1.00 0.00 O ATOM 145 CB THR A 13 -14.912 -1.212 18.309 1.00 0.00 C ATOM 146 OG1 THR A 13 -13.814 -1.501 19.170 1.00 0.00 O ATOM 147 CG2 THR A 13 -16.100 -1.052 19.259 1.00 0.00 C ATOM 0 H THR A 13 -14.449 -3.876 18.853 1.00 0.00 H new ATOM 0 HA THR A 13 -15.867 -2.308 16.742 1.00 0.00 H new ATOM 0 HB THR A 13 -14.830 -0.326 17.679 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.134 -2.004 18.675 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.965 -0.154 19.862 1.00 0.00 H new ATOM 0 HG22 THR A 13 -17.020 -0.966 18.680 1.00 0.00 H new ATOM 0 HG23 THR A 13 -16.163 -1.922 19.912 1.00 0.00 H new ATOM 155 N THR A 14 -14.064 -2.761 15.239 1.00 0.00 N ATOM 156 CA THR A 14 -12.998 -2.980 14.277 1.00 0.00 C ATOM 157 C THR A 14 -11.977 -3.976 14.830 1.00 0.00 C ATOM 158 O THR A 14 -12.314 -4.820 15.660 1.00 0.00 O ATOM 159 CB THR A 14 -12.392 -1.620 13.925 1.00 0.00 C ATOM 160 OG1 THR A 14 -11.590 -1.294 15.057 1.00 0.00 O ATOM 161 CG2 THR A 14 -13.439 -0.507 13.876 1.00 0.00 C ATOM 0 H THR A 14 -14.995 -2.671 14.831 1.00 0.00 H new ATOM 0 HA THR A 14 -13.379 -3.429 13.360 1.00 0.00 H new ATOM 0 HB THR A 14 -11.888 -1.686 12.961 1.00 0.00 H new ATOM 0 HG1 THR A 14 -11.158 -0.426 14.913 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.956 0.436 13.622 1.00 0.00 H new ATOM 0 HG22 THR A 14 -14.188 -0.745 13.121 1.00 0.00 H new ATOM 0 HG23 THR A 14 -13.921 -0.417 14.850 1.00 0.00 H new ATOM 169 N GLY A 15 -10.750 -3.846 14.348 1.00 0.00 N ATOM 170 CA GLY A 15 -9.677 -4.724 14.784 1.00 0.00 C ATOM 171 C GLY A 15 -8.942 -5.328 13.586 1.00 0.00 C ATOM 172 O GLY A 15 -7.829 -4.916 13.263 1.00 0.00 O ATOM 0 H GLY A 15 -10.475 -3.146 13.659 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.974 -4.166 15.403 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.085 -5.522 15.405 1.00 0.00 H new ATOM 176 N TYR A 16 -9.595 -6.296 12.958 1.00 0.00 N ATOM 177 CA TYR A 16 -9.017 -6.961 11.802 1.00 0.00 C ATOM 178 C TYR A 16 -8.894 -5.997 10.620 1.00 0.00 C ATOM 179 O TYR A 16 -9.598 -4.990 10.559 1.00 0.00 O ATOM 180 CB TYR A 16 -9.989 -8.083 11.432 1.00 0.00 C ATOM 181 CG TYR A 16 -10.989 -7.703 10.338 1.00 0.00 C ATOM 182 CD1 TYR A 16 -10.584 -7.653 9.020 1.00 0.00 C ATOM 183 CD2 TYR A 16 -12.297 -7.412 10.669 1.00 0.00 C ATOM 184 CE1 TYR A 16 -11.525 -7.296 7.990 1.00 0.00 C ATOM 185 CE2 TYR A 16 -13.238 -7.055 9.640 1.00 0.00 C ATOM 186 CZ TYR A 16 -12.806 -7.015 8.351 1.00 0.00 C ATOM 187 OH TYR A 16 -13.695 -6.678 7.378 1.00 0.00 O ATOM 0 H TYR A 16 -10.518 -6.635 13.228 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.018 -7.332 12.032 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -9.418 -8.951 11.103 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -10.539 -8.383 12.324 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -9.561 -7.882 8.761 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -12.615 -7.452 11.700 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -11.221 -7.252 6.955 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -14.264 -6.824 9.886 1.00 0.00 H new ATOM 0 HH TYR A 16 -14.571 -6.505 7.781 1.00 0.00 H new ATOM 197 N THR A 17 -7.995 -6.340 9.709 1.00 0.00 N ATOM 198 CA THR A 17 -7.771 -5.519 8.532 1.00 0.00 C ATOM 199 C THR A 17 -7.670 -6.394 7.282 1.00 0.00 C ATOM 200 O THR A 17 -7.201 -7.529 7.351 1.00 0.00 O ATOM 201 CB THR A 17 -6.524 -4.668 8.780 1.00 0.00 C ATOM 202 OG1 THR A 17 -6.429 -4.596 10.200 1.00 0.00 O ATOM 203 CG2 THR A 17 -6.712 -3.213 8.346 1.00 0.00 C ATOM 0 H THR A 17 -7.413 -7.176 9.763 1.00 0.00 H new ATOM 0 HA THR A 17 -8.611 -4.848 8.353 1.00 0.00 H new ATOM 0 HB THR A 17 -5.678 -5.100 8.245 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.645 -4.063 10.449 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.798 -2.653 8.544 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.936 -3.177 7.280 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.537 -2.770 8.905 1.00 0.00 H new ATOM 211 N VAL A 18 -8.118 -5.834 6.168 1.00 0.00 N ATOM 212 CA VAL A 18 -8.085 -6.550 4.904 1.00 0.00 C ATOM 213 C VAL A 18 -6.650 -6.568 4.371 1.00 0.00 C ATOM 214 O VAL A 18 -5.878 -5.645 4.626 1.00 0.00 O ATOM 215 CB VAL A 18 -9.079 -5.926 3.923 1.00 0.00 C ATOM 216 CG1 VAL A 18 -8.825 -6.420 2.497 1.00 0.00 C ATOM 217 CG2 VAL A 18 -10.521 -6.204 4.351 1.00 0.00 C ATOM 0 H VAL A 18 -8.506 -4.892 6.114 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.394 -7.586 5.043 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.929 -4.846 3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.545 -5.961 1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.815 -6.147 2.192 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.934 -7.504 2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.207 -5.749 3.636 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.690 -7.280 4.382 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.695 -5.781 5.340 1.00 0.00 H new ATOM 227 N LYS A 19 -6.338 -7.628 3.642 1.00 0.00 N ATOM 228 CA LYS A 19 -5.010 -7.779 3.071 1.00 0.00 C ATOM 229 C LYS A 19 -5.050 -7.396 1.590 1.00 0.00 C ATOM 230 O LYS A 19 -5.733 -8.042 0.797 1.00 0.00 O ATOM 231 CB LYS A 19 -4.473 -9.188 3.328 1.00 0.00 C ATOM 232 CG LYS A 19 -3.228 -9.148 4.216 1.00 0.00 C ATOM 233 CD LYS A 19 -2.553 -10.519 4.277 1.00 0.00 C ATOM 234 CE LYS A 19 -1.119 -10.450 3.747 1.00 0.00 C ATOM 235 NZ LYS A 19 -0.403 -11.716 4.021 1.00 0.00 N ATOM 0 H LYS A 19 -6.982 -8.391 3.433 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.307 -7.102 3.557 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.244 -9.793 3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.232 -9.668 2.379 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.525 -8.410 3.830 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.504 -8.830 5.221 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.547 -10.880 5.306 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.127 -11.237 3.691 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.131 -10.257 2.674 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.592 -9.619 4.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.568 -11.652 3.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.376 -11.884 5.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.898 -12.503 3.554 1.00 0.00 H new ATOM 249 N ILE A 20 -4.308 -6.348 1.263 1.00 0.00 N ATOM 250 CA ILE A 20 -4.250 -5.872 -0.109 1.00 0.00 C ATOM 251 C ILE A 20 -3.353 -6.801 -0.929 1.00 0.00 C ATOM 252 O ILE A 20 -2.135 -6.633 -0.953 1.00 0.00 O ATOM 253 CB ILE A 20 -3.816 -4.405 -0.149 1.00 0.00 C ATOM 254 CG1 ILE A 20 -4.691 -3.549 0.768 1.00 0.00 C ATOM 255 CG2 ILE A 20 -3.801 -3.877 -1.585 1.00 0.00 C ATOM 256 CD1 ILE A 20 -4.301 -2.072 0.677 1.00 0.00 C ATOM 0 H ILE A 20 -3.742 -5.815 1.924 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.240 -5.900 -0.564 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.795 -4.340 0.228 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.739 -3.670 0.493 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.590 -3.893 1.797 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.489 -2.833 -1.585 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.103 -4.464 -2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.800 -3.957 -2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.939 -1.486 1.339 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.260 -1.952 0.976 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.426 -1.725 -0.349 1.00 0.00 H new ATOM 268 N SER A 21 -3.991 -7.762 -1.583 1.00 0.00 N ATOM 269 CA SER A 21 -3.267 -8.718 -2.402 1.00 0.00 C ATOM 270 C SER A 21 -2.920 -8.091 -3.754 1.00 0.00 C ATOM 271 O SER A 21 -1.750 -8.023 -4.129 1.00 0.00 O ATOM 272 CB SER A 21 -4.079 -9.998 -2.603 1.00 0.00 C ATOM 273 OG SER A 21 -3.520 -11.102 -1.897 1.00 0.00 O ATOM 0 H SER A 21 -5.002 -7.898 -1.562 1.00 0.00 H new ATOM 0 HA SER A 21 -2.345 -8.983 -1.884 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.103 -9.834 -2.267 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.126 -10.234 -3.666 1.00 0.00 H new ATOM 0 HG SER A 21 -4.069 -11.900 -2.050 1.00 0.00 H new ATOM 279 N ASN A 22 -3.958 -7.650 -4.450 1.00 0.00 N ATOM 280 CA ASN A 22 -3.778 -7.032 -5.752 1.00 0.00 C ATOM 281 C ASN A 22 -3.540 -5.531 -5.571 1.00 0.00 C ATOM 282 O ASN A 22 -4.388 -4.826 -5.027 1.00 0.00 O ATOM 283 CB ASN A 22 -5.022 -7.212 -6.624 1.00 0.00 C ATOM 284 CG ASN A 22 -4.660 -7.834 -7.974 1.00 0.00 C ATOM 285 OD1 ASN A 22 -4.252 -8.979 -8.070 1.00 0.00 O ATOM 286 ND2 ASN A 22 -4.832 -7.017 -9.010 1.00 0.00 N ATOM 0 H ASN A 22 -4.927 -7.709 -4.136 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.926 -7.509 -6.237 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.743 -7.847 -6.109 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.503 -6.247 -6.782 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.618 -7.339 -9.954 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.177 -6.069 -8.860 1.00 0.00 H new ATOM 293 N TYR A 23 -2.382 -5.087 -6.037 1.00 0.00 N ATOM 294 CA TYR A 23 -2.022 -3.683 -5.934 1.00 0.00 C ATOM 295 C TYR A 23 -1.126 -3.260 -7.099 1.00 0.00 C ATOM 296 O TYR A 23 -0.139 -3.929 -7.403 1.00 0.00 O ATOM 297 CB TYR A 23 -1.240 -3.544 -4.627 1.00 0.00 C ATOM 298 CG TYR A 23 -0.045 -4.493 -4.512 1.00 0.00 C ATOM 299 CD1 TYR A 23 1.154 -4.169 -5.113 1.00 0.00 C ATOM 300 CD2 TYR A 23 -0.167 -5.674 -3.809 1.00 0.00 C ATOM 301 CE1 TYR A 23 2.278 -5.062 -5.006 1.00 0.00 C ATOM 302 CE2 TYR A 23 0.958 -6.567 -3.701 1.00 0.00 C ATOM 303 CZ TYR A 23 2.125 -6.217 -4.305 1.00 0.00 C ATOM 304 OH TYR A 23 3.187 -7.061 -4.204 1.00 0.00 O ATOM 0 H TYR A 23 -1.681 -5.675 -6.487 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.913 -3.055 -5.957 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.886 -2.517 -4.535 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.915 -3.724 -3.791 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.249 -3.245 -5.664 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.106 -5.929 -3.340 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.222 -4.820 -5.472 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.877 -7.494 -3.153 1.00 0.00 H new ATOM 0 HH TYR A 23 2.932 -7.845 -3.674 1.00 0.00 H new ATOM 314 N GLY A 24 -1.500 -2.151 -7.719 1.00 0.00 N ATOM 315 CA GLY A 24 -0.742 -1.630 -8.844 1.00 0.00 C ATOM 316 C GLY A 24 0.484 -0.851 -8.365 1.00 0.00 C ATOM 317 O GLY A 24 0.404 -0.090 -7.402 1.00 0.00 O ATOM 0 H GLY A 24 -2.318 -1.598 -7.464 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.427 -2.452 -9.487 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.378 -0.981 -9.446 1.00 0.00 H new ATOM 321 N TRP A 25 1.592 -1.068 -9.059 1.00 0.00 N ATOM 322 CA TRP A 25 2.834 -0.396 -8.717 1.00 0.00 C ATOM 323 C TRP A 25 3.581 -0.093 -10.017 1.00 0.00 C ATOM 324 O TRP A 25 3.463 -0.833 -10.992 1.00 0.00 O ATOM 325 CB TRP A 25 3.657 -1.233 -7.735 1.00 0.00 C ATOM 326 CG TRP A 25 4.290 -2.479 -8.358 1.00 0.00 C ATOM 327 CD1 TRP A 25 3.739 -3.689 -8.524 1.00 0.00 C ATOM 328 CD2 TRP A 25 5.626 -2.588 -8.894 1.00 0.00 C ATOM 329 NE1 TRP A 25 4.618 -4.567 -9.125 1.00 0.00 N ATOM 330 CE2 TRP A 25 5.801 -3.876 -9.357 1.00 0.00 C ATOM 331 CE3 TRP A 25 6.651 -1.630 -8.984 1.00 0.00 C ATOM 332 CZ2 TRP A 25 6.991 -4.324 -9.943 1.00 0.00 C ATOM 333 CZ3 TRP A 25 7.834 -2.094 -9.572 1.00 0.00 C ATOM 334 CH2 TRP A 25 8.027 -3.387 -10.044 1.00 0.00 C ATOM 0 H TRP A 25 1.655 -1.700 -9.857 1.00 0.00 H new ATOM 0 HA TRP A 25 2.635 0.544 -8.203 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.446 -0.609 -7.314 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.016 -1.538 -6.908 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.733 -3.945 -8.225 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.433 -5.543 -9.356 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.535 -0.617 -8.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.104 -5.338 -10.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 8.655 -1.398 -9.665 1.00 0.00 H new ATOM 0 HH2 TRP A 25 8.971 -3.668 -10.487 1.00 0.00 H new ATOM 345 N ASP A 26 4.333 0.998 -9.989 1.00 0.00 N ATOM 346 CA ASP A 26 5.100 1.408 -11.153 1.00 0.00 C ATOM 347 C ASP A 26 6.423 2.026 -10.695 1.00 0.00 C ATOM 348 O ASP A 26 6.509 2.573 -9.597 1.00 0.00 O ATOM 349 CB ASP A 26 4.344 2.460 -11.967 1.00 0.00 C ATOM 350 CG ASP A 26 2.870 2.141 -12.225 1.00 0.00 C ATOM 351 OD1 ASP A 26 2.192 1.760 -11.246 1.00 0.00 O ATOM 352 OD2 ASP A 26 2.454 2.286 -13.395 1.00 0.00 O ATOM 0 H ASP A 26 4.427 1.610 -9.179 1.00 0.00 H new ATOM 0 HA ASP A 26 5.271 0.527 -11.772 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.408 3.415 -11.446 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.846 2.586 -12.926 1.00 0.00 H new ATOM 357 N GLN A 27 7.420 1.917 -11.561 1.00 0.00 N ATOM 358 CA GLN A 27 8.734 2.458 -11.259 1.00 0.00 C ATOM 359 C GLN A 27 9.273 3.243 -12.457 1.00 0.00 C ATOM 360 O GLN A 27 9.024 2.879 -13.605 1.00 0.00 O ATOM 361 CB GLN A 27 9.704 1.347 -10.851 1.00 0.00 C ATOM 362 CG GLN A 27 10.005 0.421 -12.031 1.00 0.00 C ATOM 363 CD GLN A 27 8.972 -0.704 -12.122 1.00 0.00 C ATOM 364 OE1 GLN A 27 7.850 -0.591 -11.655 1.00 0.00 O ATOM 365 NE2 GLN A 27 9.411 -1.793 -12.746 1.00 0.00 N ATOM 0 H GLN A 27 7.344 1.462 -12.471 1.00 0.00 H new ATOM 0 HA GLN A 27 8.639 3.141 -10.415 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.631 1.786 -10.483 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.277 0.770 -10.031 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.005 0.995 -12.958 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.002 -0.004 -11.919 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.362 -1.822 -13.114 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.797 -2.600 -12.857 1.00 0.00 H new ATOM 374 N SER A 28 10.001 4.306 -12.148 1.00 0.00 N ATOM 375 CA SER A 28 10.576 5.146 -13.185 1.00 0.00 C ATOM 376 C SER A 28 11.987 5.581 -12.783 1.00 0.00 C ATOM 377 O SER A 28 12.299 5.669 -11.596 1.00 0.00 O ATOM 378 CB SER A 28 9.700 6.371 -13.452 1.00 0.00 C ATOM 379 OG SER A 28 8.973 6.252 -14.671 1.00 0.00 O ATOM 0 H SER A 28 10.206 4.605 -11.195 1.00 0.00 H new ATOM 0 HA SER A 28 10.629 4.564 -14.105 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.002 6.505 -12.625 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.326 7.263 -13.489 1.00 0.00 H new ATOM 0 HG SER A 28 8.425 7.053 -14.804 1.00 0.00 H new ATOM 385 N ASP A 29 12.803 5.841 -13.795 1.00 0.00 N ATOM 386 CA ASP A 29 14.173 6.264 -13.562 1.00 0.00 C ATOM 387 C ASP A 29 14.170 7.620 -12.853 1.00 0.00 C ATOM 388 O ASP A 29 14.394 8.653 -13.481 1.00 0.00 O ATOM 389 CB ASP A 29 14.933 6.421 -14.880 1.00 0.00 C ATOM 390 CG ASP A 29 14.850 5.218 -15.822 1.00 0.00 C ATOM 391 OD1 ASP A 29 15.167 4.105 -15.349 1.00 0.00 O ATOM 392 OD2 ASP A 29 14.472 5.438 -16.992 1.00 0.00 O ATOM 0 H ASP A 29 12.541 5.767 -14.778 1.00 0.00 H new ATOM 0 HA ASP A 29 14.662 5.504 -12.953 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.549 7.298 -15.401 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.982 6.616 -14.656 1.00 0.00 H new ATOM 397 N LYS A 30 13.914 7.572 -11.554 1.00 0.00 N ATOM 398 CA LYS A 30 13.879 8.784 -10.753 1.00 0.00 C ATOM 399 C LYS A 30 13.334 8.455 -9.361 1.00 0.00 C ATOM 400 O LYS A 30 13.976 8.748 -8.354 1.00 0.00 O ATOM 401 CB LYS A 30 13.096 9.882 -11.476 1.00 0.00 C ATOM 402 CG LYS A 30 14.042 10.867 -12.164 1.00 0.00 C ATOM 403 CD LYS A 30 13.986 12.241 -11.493 1.00 0.00 C ATOM 404 CE LYS A 30 13.086 13.198 -12.278 1.00 0.00 C ATOM 405 NZ LYS A 30 13.496 14.601 -12.047 1.00 0.00 N ATOM 0 H LYS A 30 13.729 6.713 -11.036 1.00 0.00 H new ATOM 0 HA LYS A 30 14.886 9.179 -10.617 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.432 9.434 -12.215 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.466 10.414 -10.763 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.061 10.483 -12.129 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.773 10.961 -13.216 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.612 12.137 -10.474 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.991 12.657 -11.423 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.140 12.967 -13.342 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.048 13.062 -11.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.875 15.237 -12.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.421 14.822 -11.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.480 14.731 -12.358 1.00 0.00 H new ATOM 419 N PHE A 31 12.155 7.850 -9.350 1.00 0.00 N ATOM 420 CA PHE A 31 11.517 7.478 -8.099 1.00 0.00 C ATOM 421 C PHE A 31 10.531 6.327 -8.308 1.00 0.00 C ATOM 422 O PHE A 31 10.224 5.965 -9.443 1.00 0.00 O ATOM 423 CB PHE A 31 10.750 8.707 -7.605 1.00 0.00 C ATOM 424 CG PHE A 31 11.601 9.975 -7.513 1.00 0.00 C ATOM 425 CD1 PHE A 31 12.613 10.051 -6.607 1.00 0.00 C ATOM 426 CD2 PHE A 31 11.346 11.027 -8.337 1.00 0.00 C ATOM 427 CE1 PHE A 31 13.402 11.228 -6.521 1.00 0.00 C ATOM 428 CE2 PHE A 31 12.136 12.204 -8.251 1.00 0.00 C ATOM 429 CZ PHE A 31 13.147 12.279 -7.345 1.00 0.00 C ATOM 0 H PHE A 31 11.625 7.608 -10.187 1.00 0.00 H new ATOM 0 HA PHE A 31 12.269 7.152 -7.381 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.911 8.893 -8.275 1.00 0.00 H new ATOM 0 HB3 PHE A 31 10.331 8.491 -6.622 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.816 9.216 -5.953 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.543 10.967 -9.057 1.00 0.00 H new ATOM 0 HE1 PHE A 31 14.205 11.289 -5.801 1.00 0.00 H new ATOM 0 HE2 PHE A 31 11.934 13.039 -8.905 1.00 0.00 H new ATOM 0 HZ PHE A 31 13.748 13.174 -7.280 1.00 0.00 H new ATOM 439 N VAL A 32 10.061 5.783 -7.194 1.00 0.00 N ATOM 440 CA VAL A 32 9.116 4.680 -7.241 1.00 0.00 C ATOM 441 C VAL A 32 7.799 5.116 -6.597 1.00 0.00 C ATOM 442 O VAL A 32 7.799 5.834 -5.598 1.00 0.00 O ATOM 443 CB VAL A 32 9.724 3.442 -6.580 1.00 0.00 C ATOM 444 CG1 VAL A 32 8.651 2.390 -6.294 1.00 0.00 C ATOM 445 CG2 VAL A 32 10.849 2.859 -7.437 1.00 0.00 C ATOM 0 H VAL A 32 10.317 6.086 -6.254 1.00 0.00 H new ATOM 0 HA VAL A 32 8.898 4.406 -8.273 1.00 0.00 H new ATOM 0 HB VAL A 32 10.154 3.749 -5.627 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.110 1.520 -5.824 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.899 2.809 -5.625 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.178 2.090 -7.229 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.264 1.980 -6.944 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.454 2.575 -8.412 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.632 3.606 -7.566 1.00 0.00 H new ATOM 455 N LYS A 33 6.706 4.663 -7.195 1.00 0.00 N ATOM 456 CA LYS A 33 5.385 4.997 -6.692 1.00 0.00 C ATOM 457 C LYS A 33 4.443 3.813 -6.918 1.00 0.00 C ATOM 458 O LYS A 33 4.540 3.124 -7.933 1.00 0.00 O ATOM 459 CB LYS A 33 4.889 6.304 -7.313 1.00 0.00 C ATOM 460 CG LYS A 33 3.386 6.482 -7.090 1.00 0.00 C ATOM 461 CD LYS A 33 2.968 7.937 -7.311 1.00 0.00 C ATOM 462 CE LYS A 33 3.778 8.575 -8.441 1.00 0.00 C ATOM 463 NZ LYS A 33 3.290 9.944 -8.721 1.00 0.00 N ATOM 0 H LYS A 33 6.709 4.068 -8.023 1.00 0.00 H new ATOM 0 HA LYS A 33 5.421 5.175 -5.617 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.427 7.145 -6.876 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.105 6.308 -8.381 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.834 5.834 -7.771 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.126 6.175 -6.077 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.906 7.981 -7.551 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.111 8.504 -6.391 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.832 8.608 -8.167 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.701 7.964 -9.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.065 10.515 -9.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.508 9.901 -9.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.954 10.380 -7.839 1.00 0.00 H new ATOM 477 N ILE A 34 3.554 3.612 -5.957 1.00 0.00 N ATOM 478 CA ILE A 34 2.596 2.523 -6.039 1.00 0.00 C ATOM 479 C ILE A 34 1.178 3.097 -6.061 1.00 0.00 C ATOM 480 O ILE A 34 0.927 4.163 -5.500 1.00 0.00 O ATOM 481 CB ILE A 34 2.834 1.514 -4.914 1.00 0.00 C ATOM 482 CG1 ILE A 34 4.210 0.860 -5.046 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.709 0.478 -4.860 1.00 0.00 C ATOM 484 CD1 ILE A 34 5.193 1.440 -4.027 1.00 0.00 C ATOM 0 H ILE A 34 3.477 4.185 -5.117 1.00 0.00 H new ATOM 0 HA ILE A 34 2.730 1.967 -6.967 1.00 0.00 H new ATOM 0 HB ILE A 34 2.823 2.051 -3.965 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.121 -0.216 -4.899 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.594 1.013 -6.055 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.902 -0.227 -4.052 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.759 0.982 -4.682 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.663 -0.059 -5.807 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.164 0.958 -4.142 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.299 2.512 -4.193 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.818 1.264 -3.019 1.00 0.00 H new ATOM 496 N TYR A 35 0.287 2.366 -6.714 1.00 0.00 N ATOM 497 CA TYR A 35 -1.099 2.789 -6.816 1.00 0.00 C ATOM 498 C TYR A 35 -2.050 1.627 -6.523 1.00 0.00 C ATOM 499 O TYR A 35 -2.126 0.672 -7.295 1.00 0.00 O ATOM 500 CB TYR A 35 -1.296 3.241 -8.264 1.00 0.00 C ATOM 501 CG TYR A 35 -0.079 3.944 -8.868 1.00 0.00 C ATOM 502 CD1 TYR A 35 1.077 3.232 -9.116 1.00 0.00 C ATOM 503 CD2 TYR A 35 -0.137 5.291 -9.164 1.00 0.00 C ATOM 504 CE1 TYR A 35 2.222 3.894 -9.684 1.00 0.00 C ATOM 505 CE2 TYR A 35 1.009 5.953 -9.732 1.00 0.00 C ATOM 506 CZ TYR A 35 2.132 5.222 -9.964 1.00 0.00 C ATOM 507 OH TYR A 35 3.214 5.847 -10.501 1.00 0.00 O ATOM 0 H TYR A 35 0.498 1.483 -7.178 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.313 3.581 -6.098 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.541 2.372 -8.875 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.152 3.915 -8.310 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.122 2.178 -8.884 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.041 5.848 -8.970 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.132 3.348 -9.883 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.977 7.006 -9.968 1.00 0.00 H new ATOM 0 HH TYR A 35 2.915 6.586 -11.071 1.00 0.00 H new ATOM 517 N ILE A 36 -2.752 1.746 -5.405 1.00 0.00 N ATOM 518 CA ILE A 36 -3.695 0.717 -5.001 1.00 0.00 C ATOM 519 C ILE A 36 -5.120 1.263 -5.117 1.00 0.00 C ATOM 520 O ILE A 36 -5.347 2.458 -4.932 1.00 0.00 O ATOM 521 CB ILE A 36 -3.350 0.192 -3.606 1.00 0.00 C ATOM 522 CG1 ILE A 36 -1.963 -0.454 -3.592 1.00 0.00 C ATOM 523 CG2 ILE A 36 -4.431 -0.762 -3.096 1.00 0.00 C ATOM 524 CD1 ILE A 36 -0.967 0.403 -2.807 1.00 0.00 C ATOM 0 H ILE A 36 -2.686 2.539 -4.767 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.627 -0.144 -5.666 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.319 1.039 -2.920 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.025 -1.447 -3.146 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.609 -0.585 -4.614 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.161 -1.120 -2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.385 -0.237 -3.045 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.519 -1.609 -3.776 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.011 -0.079 -2.812 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.890 1.387 -3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.312 0.512 -1.779 1.00 0.00 H new ATOM 536 N THR A 37 -6.042 0.362 -5.422 1.00 0.00 N ATOM 537 CA THR A 37 -7.438 0.739 -5.564 1.00 0.00 C ATOM 538 C THR A 37 -8.176 0.564 -4.235 1.00 0.00 C ATOM 539 O THR A 37 -8.492 -0.557 -3.840 1.00 0.00 O ATOM 540 CB THR A 37 -8.036 -0.087 -6.705 1.00 0.00 C ATOM 541 OG1 THR A 37 -7.559 0.554 -7.885 1.00 0.00 O ATOM 542 CG2 THR A 37 -9.557 0.054 -6.794 1.00 0.00 C ATOM 0 H THR A 37 -5.850 -0.628 -5.575 1.00 0.00 H new ATOM 0 HA THR A 37 -7.539 1.794 -5.819 1.00 0.00 H new ATOM 0 HB THR A 37 -7.775 -1.137 -6.569 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.898 0.082 -8.674 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.931 -0.552 -7.619 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.009 -0.285 -5.862 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.816 1.099 -6.964 1.00 0.00 H new ATOM 550 N LEU A 38 -8.429 1.689 -3.583 1.00 0.00 N ATOM 551 CA LEU A 38 -9.124 1.674 -2.307 1.00 0.00 C ATOM 552 C LEU A 38 -10.181 2.780 -2.293 1.00 0.00 C ATOM 553 O LEU A 38 -9.853 3.955 -2.130 1.00 0.00 O ATOM 554 CB LEU A 38 -8.125 1.763 -1.152 1.00 0.00 C ATOM 555 CG LEU A 38 -8.365 0.806 0.018 1.00 0.00 C ATOM 556 CD1 LEU A 38 -9.861 0.595 0.256 1.00 0.00 C ATOM 557 CD2 LEU A 38 -7.626 -0.516 -0.196 1.00 0.00 C ATOM 0 H LEU A 38 -8.165 2.617 -3.914 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.650 0.729 -2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.126 1.579 -1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.133 2.783 -0.769 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.957 1.261 0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.003 -0.089 1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.331 1.551 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.316 0.172 -0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.813 -1.178 0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.982 -0.988 -1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.556 -0.326 -0.278 1.00 0.00 H new ATOM 569 N THR A 39 -11.427 2.367 -2.467 1.00 0.00 N ATOM 570 CA THR A 39 -12.534 3.308 -2.477 1.00 0.00 C ATOM 571 C THR A 39 -12.901 3.715 -1.048 1.00 0.00 C ATOM 572 O THR A 39 -13.449 2.914 -0.292 1.00 0.00 O ATOM 573 CB THR A 39 -13.693 2.668 -3.243 1.00 0.00 C ATOM 574 OG1 THR A 39 -13.493 3.087 -4.590 1.00 0.00 O ATOM 575 CG2 THR A 39 -15.048 3.267 -2.863 1.00 0.00 C ATOM 0 H THR A 39 -11.695 1.392 -2.602 1.00 0.00 H new ATOM 0 HA THR A 39 -12.262 4.233 -2.985 1.00 0.00 H new ATOM 0 HB THR A 39 -13.705 1.595 -3.052 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.201 2.715 -5.157 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.836 2.777 -3.435 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.226 3.117 -1.798 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.049 4.334 -3.084 1.00 0.00 H new ATOM 583 N GLY A 40 -12.583 4.959 -0.721 1.00 0.00 N ATOM 584 CA GLY A 40 -12.873 5.482 0.603 1.00 0.00 C ATOM 585 C GLY A 40 -11.601 6.000 1.278 1.00 0.00 C ATOM 586 O GLY A 40 -11.669 6.822 2.191 1.00 0.00 O ATOM 0 H GLY A 40 -12.127 5.620 -1.350 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.603 6.288 0.528 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.322 4.701 1.216 1.00 0.00 H new ATOM 590 N VAL A 41 -10.471 5.499 0.802 1.00 0.00 N ATOM 591 CA VAL A 41 -9.185 5.901 1.348 1.00 0.00 C ATOM 592 C VAL A 41 -9.020 7.414 1.190 1.00 0.00 C ATOM 593 O VAL A 41 -8.236 8.035 1.906 1.00 0.00 O ATOM 594 CB VAL A 41 -8.062 5.104 0.682 1.00 0.00 C ATOM 595 CG1 VAL A 41 -7.936 5.466 -0.799 1.00 0.00 C ATOM 596 CG2 VAL A 41 -6.734 5.314 1.413 1.00 0.00 C ATOM 0 H VAL A 41 -10.419 4.818 0.044 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.135 5.678 2.414 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.317 4.046 0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.130 4.885 -1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.873 5.242 -1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.715 6.529 -0.896 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.952 4.737 0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.471 6.372 1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.832 4.983 2.447 1.00 0.00 H new ATOM 606 N HIS A 42 -9.771 7.964 0.247 1.00 0.00 N ATOM 607 CA HIS A 42 -9.718 9.393 -0.014 1.00 0.00 C ATOM 608 C HIS A 42 -10.746 10.113 0.861 1.00 0.00 C ATOM 609 O HIS A 42 -10.903 11.329 0.767 1.00 0.00 O ATOM 610 CB HIS A 42 -9.903 9.679 -1.505 1.00 0.00 C ATOM 611 CG HIS A 42 -11.315 9.475 -1.999 1.00 0.00 C ATOM 612 ND1 HIS A 42 -11.869 8.221 -2.189 1.00 0.00 N ATOM 613 CD2 HIS A 42 -12.280 10.377 -2.339 1.00 0.00 C ATOM 614 CE1 HIS A 42 -13.111 8.373 -2.625 1.00 0.00 C ATOM 615 NE2 HIS A 42 -13.364 9.710 -2.717 1.00 0.00 N ATOM 0 H HIS A 42 -10.420 7.446 -0.346 1.00 0.00 H new ATOM 0 HA HIS A 42 -8.734 9.779 0.251 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -9.603 10.707 -1.707 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -9.233 9.034 -2.074 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.179 11.452 -2.306 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -13.801 7.578 -2.865 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -14.242 10.129 -3.025 1.00 0.00 H new ATOM 623 N GLN A 43 -11.420 9.331 1.692 1.00 0.00 N ATOM 624 CA GLN A 43 -12.428 9.879 2.583 1.00 0.00 C ATOM 625 C GLN A 43 -11.978 9.749 4.039 1.00 0.00 C ATOM 626 O GLN A 43 -12.376 10.544 4.889 1.00 0.00 O ATOM 627 CB GLN A 43 -13.781 9.199 2.364 1.00 0.00 C ATOM 628 CG GLN A 43 -14.365 9.565 0.998 1.00 0.00 C ATOM 629 CD GLN A 43 -15.880 9.758 1.084 1.00 0.00 C ATOM 630 OE1 GLN A 43 -16.542 9.287 1.995 1.00 0.00 O ATOM 631 NE2 GLN A 43 -16.392 10.474 0.087 1.00 0.00 N ATOM 0 H GLN A 43 -11.288 8.322 1.767 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.549 10.938 2.355 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.664 8.118 2.435 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -14.473 9.497 3.151 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -13.898 10.480 0.632 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -14.135 8.780 0.278 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -15.782 10.839 -0.644 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.395 10.658 0.054 1.00 0.00 H new ATOM 640 N VAL A 44 -11.153 8.741 4.282 1.00 0.00 N ATOM 641 CA VAL A 44 -10.644 8.496 5.621 1.00 0.00 C ATOM 642 C VAL A 44 -9.548 9.515 5.939 1.00 0.00 C ATOM 643 O VAL A 44 -8.883 10.020 5.035 1.00 0.00 O ATOM 644 CB VAL A 44 -10.167 7.048 5.743 1.00 0.00 C ATOM 645 CG1 VAL A 44 -11.297 6.069 5.415 1.00 0.00 C ATOM 646 CG2 VAL A 44 -8.948 6.795 4.854 1.00 0.00 C ATOM 0 H VAL A 44 -10.824 8.084 3.574 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.435 8.627 6.360 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.868 6.880 6.778 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.931 5.046 5.509 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -12.125 6.224 6.107 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.641 6.239 4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.629 5.758 4.960 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.209 6.990 3.814 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.135 7.457 5.154 1.00 0.00 H new ATOM 656 N PRO A 45 -9.388 9.795 7.260 1.00 0.00 N ATOM 657 CA PRO A 45 -8.384 10.744 7.709 1.00 0.00 C ATOM 658 C PRO A 45 -6.982 10.136 7.633 1.00 0.00 C ATOM 659 O PRO A 45 -6.834 8.933 7.426 1.00 0.00 O ATOM 660 CB PRO A 45 -8.796 11.113 9.124 1.00 0.00 C ATOM 661 CG PRO A 45 -9.742 10.015 9.583 1.00 0.00 C ATOM 662 CD PRO A 45 -10.158 9.216 8.358 1.00 0.00 C ATOM 0 HA PRO A 45 -8.333 11.632 7.079 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.927 11.179 9.779 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.287 12.086 9.147 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.252 9.369 10.312 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.616 10.444 10.074 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.936 8.156 8.482 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.230 9.298 8.177 1.00 0.00 H new ATOM 670 N THR A 46 -5.989 10.996 7.806 1.00 0.00 N ATOM 671 CA THR A 46 -4.604 10.558 7.760 1.00 0.00 C ATOM 672 C THR A 46 -4.247 9.783 9.030 1.00 0.00 C ATOM 673 O THR A 46 -3.138 9.265 9.154 1.00 0.00 O ATOM 674 CB THR A 46 -3.726 11.791 7.534 1.00 0.00 C ATOM 675 OG1 THR A 46 -2.409 11.261 7.414 1.00 0.00 O ATOM 676 CG2 THR A 46 -3.655 12.693 8.767 1.00 0.00 C ATOM 0 H THR A 46 -6.116 11.993 7.978 1.00 0.00 H new ATOM 0 HA THR A 46 -4.436 9.865 6.936 1.00 0.00 H new ATOM 0 HB THR A 46 -4.112 12.362 6.689 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.350 10.416 7.907 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.020 13.553 8.553 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.657 13.037 9.024 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.238 12.133 9.604 1.00 0.00 H new ATOM 684 N GLU A 47 -5.208 9.727 9.940 1.00 0.00 N ATOM 685 CA GLU A 47 -5.009 9.024 11.196 1.00 0.00 C ATOM 686 C GLU A 47 -5.316 7.534 11.024 1.00 0.00 C ATOM 687 O GLU A 47 -4.792 6.700 11.761 1.00 0.00 O ATOM 688 CB GLU A 47 -5.864 9.635 12.308 1.00 0.00 C ATOM 689 CG GLU A 47 -7.348 9.331 12.089 1.00 0.00 C ATOM 690 CD GLU A 47 -8.100 9.284 13.420 1.00 0.00 C ATOM 691 OE1 GLU A 47 -7.929 10.243 14.203 1.00 0.00 O ATOM 692 OE2 GLU A 47 -8.830 8.290 13.625 1.00 0.00 O ATOM 0 H GLU A 47 -6.127 10.157 9.833 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.964 9.129 11.487 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.547 9.241 13.274 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.711 10.714 12.338 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.788 10.093 11.445 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.455 8.377 11.573 1.00 0.00 H new ATOM 699 N ASN A 48 -6.163 7.246 10.048 1.00 0.00 N ATOM 700 CA ASN A 48 -6.545 5.872 9.770 1.00 0.00 C ATOM 701 C ASN A 48 -5.560 5.265 8.769 1.00 0.00 C ATOM 702 O ASN A 48 -5.567 4.057 8.540 1.00 0.00 O ATOM 703 CB ASN A 48 -7.945 5.803 9.156 1.00 0.00 C ATOM 704 CG ASN A 48 -9.023 5.985 10.227 1.00 0.00 C ATOM 705 OD1 ASN A 48 -8.769 5.919 11.418 1.00 0.00 O ATOM 706 ND2 ASN A 48 -10.237 6.218 9.737 1.00 0.00 N ATOM 0 H ASN A 48 -6.596 7.941 9.439 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.536 5.323 10.712 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.050 6.575 8.394 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.081 4.843 8.658 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.025 6.354 10.370 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.380 6.261 8.728 1.00 0.00 H new ATOM 713 N VAL A 49 -4.735 6.132 8.200 1.00 0.00 N ATOM 714 CA VAL A 49 -3.746 5.697 7.229 1.00 0.00 C ATOM 715 C VAL A 49 -2.347 5.841 7.833 1.00 0.00 C ATOM 716 O VAL A 49 -1.826 6.949 7.942 1.00 0.00 O ATOM 717 CB VAL A 49 -3.916 6.475 5.923 1.00 0.00 C ATOM 718 CG1 VAL A 49 -2.977 5.941 4.839 1.00 0.00 C ATOM 719 CG2 VAL A 49 -5.371 6.444 5.452 1.00 0.00 C ATOM 0 H VAL A 49 -4.731 7.134 8.393 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.888 4.644 6.985 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.648 7.514 6.115 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.119 6.512 3.921 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.944 6.040 5.172 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.199 4.891 4.651 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.464 7.004 4.522 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.678 5.411 5.286 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.009 6.894 6.212 1.00 0.00 H new ATOM 729 N GLN A 50 -1.780 4.704 8.209 1.00 0.00 N ATOM 730 CA GLN A 50 -0.452 4.690 8.799 1.00 0.00 C ATOM 731 C GLN A 50 0.519 3.921 7.901 1.00 0.00 C ATOM 732 O GLN A 50 0.390 2.709 7.735 1.00 0.00 O ATOM 733 CB GLN A 50 -0.485 4.094 10.208 1.00 0.00 C ATOM 734 CG GLN A 50 -0.671 5.188 11.261 1.00 0.00 C ATOM 735 CD GLN A 50 -1.755 4.800 12.269 1.00 0.00 C ATOM 736 OE1 GLN A 50 -2.737 4.152 11.945 1.00 0.00 O ATOM 737 NE2 GLN A 50 -1.523 5.231 13.506 1.00 0.00 N ATOM 0 H GLN A 50 -2.216 3.786 8.117 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.101 5.719 8.883 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.297 3.371 10.282 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.442 3.553 10.400 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.271 5.360 11.782 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.941 6.125 10.774 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.681 5.769 13.709 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.188 5.023 14.251 1.00 0.00 H new ATOM 746 N VAL A 51 1.471 4.657 7.346 1.00 0.00 N ATOM 747 CA VAL A 51 2.463 4.060 6.469 1.00 0.00 C ATOM 748 C VAL A 51 3.860 4.498 6.914 1.00 0.00 C ATOM 749 O VAL A 51 4.069 5.659 7.262 1.00 0.00 O ATOM 750 CB VAL A 51 2.160 4.419 5.013 1.00 0.00 C ATOM 751 CG1 VAL A 51 1.541 5.814 4.910 1.00 0.00 C ATOM 752 CG2 VAL A 51 3.417 4.312 4.148 1.00 0.00 C ATOM 0 H VAL A 51 1.576 5.662 7.487 1.00 0.00 H new ATOM 0 HA VAL A 51 2.426 2.973 6.536 1.00 0.00 H new ATOM 0 HB VAL A 51 1.432 3.700 4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.335 6.045 3.865 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.611 5.842 5.478 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.235 6.551 5.314 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.173 4.572 3.118 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.177 4.996 4.525 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.797 3.291 4.184 1.00 0.00 H new ATOM 762 N HIS A 52 4.780 3.545 6.888 1.00 0.00 N ATOM 763 CA HIS A 52 6.151 3.818 7.284 1.00 0.00 C ATOM 764 C HIS A 52 7.107 3.344 6.188 1.00 0.00 C ATOM 765 O HIS A 52 6.985 2.223 5.695 1.00 0.00 O ATOM 766 CB HIS A 52 6.457 3.194 8.648 1.00 0.00 C ATOM 767 CG HIS A 52 7.931 3.110 8.968 1.00 0.00 C ATOM 768 ND1 HIS A 52 8.687 4.216 9.314 1.00 0.00 N ATOM 769 CD2 HIS A 52 8.778 2.041 8.992 1.00 0.00 C ATOM 770 CE1 HIS A 52 9.932 3.819 9.533 1.00 0.00 C ATOM 771 NE2 HIS A 52 9.986 2.471 9.333 1.00 0.00 N ATOM 0 H HIS A 52 4.603 2.583 6.599 1.00 0.00 H new ATOM 0 HA HIS A 52 6.292 4.893 7.400 1.00 0.00 H new ATOM 0 HB2 HIS A 52 5.960 3.778 9.423 1.00 0.00 H new ATOM 0 HB3 HIS A 52 6.031 2.191 8.681 1.00 0.00 H new ATOM 0 HD1 HIS A 52 8.344 5.174 9.388 1.00 0.00 H new ATOM 0 HD2 HIS A 52 8.511 1.018 8.771 1.00 0.00 H new ATOM 0 HE1 HIS A 52 10.759 4.452 9.820 1.00 0.00 H new ATOM 779 N PHE A 53 8.037 4.220 5.838 1.00 0.00 N ATOM 780 CA PHE A 53 9.013 3.905 4.808 1.00 0.00 C ATOM 781 C PHE A 53 10.350 3.495 5.428 1.00 0.00 C ATOM 782 O PHE A 53 10.720 3.983 6.495 1.00 0.00 O ATOM 783 CB PHE A 53 9.216 5.176 3.981 1.00 0.00 C ATOM 784 CG PHE A 53 7.916 5.900 3.623 1.00 0.00 C ATOM 785 CD1 PHE A 53 7.043 5.337 2.746 1.00 0.00 C ATOM 786 CD2 PHE A 53 7.635 7.108 4.182 1.00 0.00 C ATOM 787 CE1 PHE A 53 5.837 6.009 2.414 1.00 0.00 C ATOM 788 CE2 PHE A 53 6.429 7.780 3.850 1.00 0.00 C ATOM 789 CZ PHE A 53 5.555 7.216 2.973 1.00 0.00 C ATOM 0 H PHE A 53 8.136 5.148 6.249 1.00 0.00 H new ATOM 0 HA PHE A 53 8.656 3.075 4.198 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.859 5.859 4.536 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.742 4.919 3.061 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.267 4.378 2.302 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.329 7.556 4.878 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.144 5.561 1.717 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.205 8.739 4.294 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.637 7.727 2.721 1.00 0.00 H new ATOM 799 N THR A 54 11.039 2.603 4.732 1.00 0.00 N ATOM 800 CA THR A 54 12.328 2.121 5.201 1.00 0.00 C ATOM 801 C THR A 54 13.373 2.227 4.088 1.00 0.00 C ATOM 802 O THR A 54 13.150 2.902 3.084 1.00 0.00 O ATOM 803 CB THR A 54 12.138 0.696 5.724 1.00 0.00 C ATOM 804 OG1 THR A 54 11.322 0.070 4.738 1.00 0.00 O ATOM 805 CG2 THR A 54 11.290 0.647 6.996 1.00 0.00 C ATOM 0 H THR A 54 10.730 2.201 3.847 1.00 0.00 H new ATOM 0 HA THR A 54 12.707 2.734 6.019 1.00 0.00 H new ATOM 0 HB THR A 54 13.112 0.249 5.921 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.415 0.546 3.886 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.186 -0.387 7.325 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.775 1.230 7.779 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.304 1.063 6.792 1.00 0.00 H new ATOM 813 N GLU A 55 14.491 1.549 4.304 1.00 0.00 N ATOM 814 CA GLU A 55 15.571 1.558 3.333 1.00 0.00 C ATOM 815 C GLU A 55 15.238 0.633 2.160 1.00 0.00 C ATOM 816 O GLU A 55 15.522 0.958 1.009 1.00 0.00 O ATOM 817 CB GLU A 55 16.898 1.162 3.984 1.00 0.00 C ATOM 818 CG GLU A 55 17.298 -0.261 3.590 1.00 0.00 C ATOM 819 CD GLU A 55 18.521 -0.727 4.384 1.00 0.00 C ATOM 820 OE1 GLU A 55 19.356 0.147 4.703 1.00 0.00 O ATOM 821 OE2 GLU A 55 18.592 -1.945 4.654 1.00 0.00 O ATOM 0 H GLU A 55 14.672 0.990 5.138 1.00 0.00 H new ATOM 0 HA GLU A 55 15.681 2.573 2.951 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.678 1.860 3.681 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.811 1.232 5.068 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.464 -0.940 3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.517 -0.299 2.523 1.00 0.00 H new ATOM 828 N ARG A 56 14.640 -0.501 2.494 1.00 0.00 N ATOM 829 CA ARG A 56 14.265 -1.475 1.483 1.00 0.00 C ATOM 830 C ARG A 56 12.926 -2.123 1.841 1.00 0.00 C ATOM 831 O ARG A 56 12.824 -3.347 1.913 1.00 0.00 O ATOM 832 CB ARG A 56 15.331 -2.565 1.347 1.00 0.00 C ATOM 833 CG ARG A 56 16.625 -1.996 0.763 1.00 0.00 C ATOM 834 CD ARG A 56 16.771 -2.366 -0.714 1.00 0.00 C ATOM 835 NE ARG A 56 17.263 -3.756 -0.841 1.00 0.00 N ATOM 836 CZ ARG A 56 18.519 -4.136 -0.568 1.00 0.00 C ATOM 837 NH1 ARG A 56 19.417 -3.233 -0.152 1.00 0.00 N ATOM 838 NH2 ARG A 56 18.877 -5.419 -0.712 1.00 0.00 N ATOM 0 H ARG A 56 14.406 -0.767 3.450 1.00 0.00 H new ATOM 0 HA ARG A 56 14.175 -0.949 0.533 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.532 -3.006 2.323 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.959 -3.364 0.706 1.00 0.00 H new ATOM 0 HG2 ARG A 56 16.631 -0.911 0.872 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.479 -2.377 1.323 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.811 -2.264 -1.220 1.00 0.00 H new ATOM 0 HD3 ARG A 56 17.463 -1.680 -1.203 1.00 0.00 H new ATOM 0 HE ARG A 56 16.605 -4.469 -1.156 1.00 0.00 H new ATOM 0 HH11 ARG A 56 19.145 -2.256 -0.043 1.00 0.00 H new ATOM 0 HH12 ARG A 56 20.373 -3.522 0.056 1.00 0.00 H new ATOM 0 HH21 ARG A 56 18.194 -6.107 -1.029 1.00 0.00 H new ATOM 0 HH22 ARG A 56 19.833 -5.708 -0.504 1.00 0.00 H new ATOM 852 N SER A 57 11.933 -1.273 2.056 1.00 0.00 N ATOM 853 CA SER A 57 10.604 -1.747 2.405 1.00 0.00 C ATOM 854 C SER A 57 9.690 -0.561 2.716 1.00 0.00 C ATOM 855 O SER A 57 10.141 0.583 2.749 1.00 0.00 O ATOM 856 CB SER A 57 10.656 -2.704 3.597 1.00 0.00 C ATOM 857 OG SER A 57 10.284 -2.062 4.814 1.00 0.00 O ATOM 0 H SER A 57 12.022 -0.259 1.995 1.00 0.00 H new ATOM 0 HA SER A 57 10.201 -2.294 1.552 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.990 -3.548 3.414 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.664 -3.108 3.694 1.00 0.00 H new ATOM 0 HG SER A 57 10.829 -1.257 4.939 1.00 0.00 H new ATOM 863 N PHE A 58 8.421 -0.874 2.936 1.00 0.00 N ATOM 864 CA PHE A 58 7.440 0.152 3.244 1.00 0.00 C ATOM 865 C PHE A 58 6.106 -0.472 3.659 1.00 0.00 C ATOM 866 O PHE A 58 5.561 -1.312 2.945 1.00 0.00 O ATOM 867 CB PHE A 58 7.232 0.969 1.967 1.00 0.00 C ATOM 868 CG PHE A 58 5.989 0.570 1.169 1.00 0.00 C ATOM 869 CD1 PHE A 58 4.750 0.797 1.681 1.00 0.00 C ATOM 870 CD2 PHE A 58 6.124 -0.011 -0.054 1.00 0.00 C ATOM 871 CE1 PHE A 58 3.597 0.427 0.939 1.00 0.00 C ATOM 872 CE2 PHE A 58 4.971 -0.381 -0.795 1.00 0.00 C ATOM 873 CZ PHE A 58 3.732 -0.154 -0.283 1.00 0.00 C ATOM 0 H PHE A 58 8.050 -1.824 2.907 1.00 0.00 H new ATOM 0 HA PHE A 58 7.794 0.770 4.069 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.159 2.024 2.231 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.110 0.860 1.331 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.643 1.258 2.652 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.108 -0.191 -0.461 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.613 0.607 1.345 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.078 -0.843 -1.765 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.855 -0.435 -0.847 1.00 0.00 H new ATOM 883 N ASP A 59 5.619 -0.037 4.812 1.00 0.00 N ATOM 884 CA ASP A 59 4.359 -0.542 5.330 1.00 0.00 C ATOM 885 C ASP A 59 3.277 0.527 5.160 1.00 0.00 C ATOM 886 O ASP A 59 3.556 1.720 5.267 1.00 0.00 O ATOM 887 CB ASP A 59 4.469 -0.871 6.820 1.00 0.00 C ATOM 888 CG ASP A 59 5.106 0.224 7.679 1.00 0.00 C ATOM 889 OD1 ASP A 59 6.347 0.352 7.606 1.00 0.00 O ATOM 890 OD2 ASP A 59 4.337 0.907 8.389 1.00 0.00 O ATOM 0 H ASP A 59 6.074 0.659 5.402 1.00 0.00 H new ATOM 0 HA ASP A 59 4.106 -1.447 4.778 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.471 -1.079 7.205 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.052 -1.785 6.933 1.00 0.00 H new ATOM 895 N LEU A 60 2.065 0.060 4.898 1.00 0.00 N ATOM 896 CA LEU A 60 0.940 0.960 4.713 1.00 0.00 C ATOM 897 C LEU A 60 -0.315 0.334 5.324 1.00 0.00 C ATOM 898 O LEU A 60 -0.778 -0.709 4.866 1.00 0.00 O ATOM 899 CB LEU A 60 0.787 1.329 3.236 1.00 0.00 C ATOM 900 CG LEU A 60 -0.189 2.466 2.926 1.00 0.00 C ATOM 901 CD1 LEU A 60 -0.940 2.203 1.620 1.00 0.00 C ATOM 902 CD2 LEU A 60 -1.143 2.705 4.098 1.00 0.00 C ATOM 0 H LEU A 60 1.838 -0.930 4.809 1.00 0.00 H new ATOM 0 HA LEU A 60 1.114 1.900 5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.768 1.603 2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.464 0.441 2.692 1.00 0.00 H new ATOM 0 HG LEU A 60 0.386 3.381 2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.627 3.026 1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.226 2.122 0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.503 1.273 1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.826 3.518 3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.715 1.798 4.293 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.569 2.970 4.986 1.00 0.00 H new ATOM 914 N LEU A 61 -0.829 0.998 6.349 1.00 0.00 N ATOM 915 CA LEU A 61 -2.022 0.519 7.027 1.00 0.00 C ATOM 916 C LEU A 61 -3.199 1.437 6.689 1.00 0.00 C ATOM 917 O LEU A 61 -3.013 2.630 6.455 1.00 0.00 O ATOM 918 CB LEU A 61 -1.764 0.378 8.529 1.00 0.00 C ATOM 919 CG LEU A 61 -3.005 0.242 9.413 1.00 0.00 C ATOM 920 CD1 LEU A 61 -3.827 1.533 9.407 1.00 0.00 C ATOM 921 CD2 LEU A 61 -3.841 -0.971 9.002 1.00 0.00 C ATOM 0 H LEU A 61 -0.442 1.863 6.726 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.285 -0.479 6.676 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.131 -0.495 8.688 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.198 1.247 8.863 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.676 0.074 10.439 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.703 1.409 10.043 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.218 2.354 9.785 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.146 1.756 8.389 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.717 -1.044 9.646 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.161 -0.858 7.966 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.242 -1.876 9.100 1.00 0.00 H new ATOM 933 N VAL A 62 -4.384 0.845 6.675 1.00 0.00 N ATOM 934 CA VAL A 62 -5.591 1.595 6.370 1.00 0.00 C ATOM 935 C VAL A 62 -6.747 1.057 7.215 1.00 0.00 C ATOM 936 O VAL A 62 -7.192 -0.073 7.017 1.00 0.00 O ATOM 937 CB VAL A 62 -5.873 1.543 4.867 1.00 0.00 C ATOM 938 CG1 VAL A 62 -7.197 2.234 4.533 1.00 0.00 C ATOM 939 CG2 VAL A 62 -4.719 2.155 4.071 1.00 0.00 C ATOM 0 H VAL A 62 -4.534 -0.145 6.870 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.463 2.647 6.627 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.960 0.495 4.579 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.373 2.183 3.459 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.011 1.734 5.058 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.151 3.278 4.844 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.945 2.105 3.006 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.586 3.196 4.365 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.803 1.600 4.274 1.00 0.00 H new ATOM 949 N LYS A 63 -7.202 1.891 8.138 1.00 0.00 N ATOM 950 CA LYS A 63 -8.298 1.513 9.014 1.00 0.00 C ATOM 951 C LYS A 63 -9.550 2.303 8.626 1.00 0.00 C ATOM 952 O LYS A 63 -9.461 3.307 7.921 1.00 0.00 O ATOM 953 CB LYS A 63 -7.895 1.681 10.480 1.00 0.00 C ATOM 954 CG LYS A 63 -7.703 0.321 11.155 1.00 0.00 C ATOM 955 CD LYS A 63 -6.391 0.279 11.940 1.00 0.00 C ATOM 956 CE LYS A 63 -5.755 -1.110 11.870 1.00 0.00 C ATOM 957 NZ LYS A 63 -6.282 -1.977 12.948 1.00 0.00 N ATOM 0 H LYS A 63 -6.832 2.828 8.298 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.536 0.456 8.892 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.971 2.256 10.543 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.661 2.249 11.009 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.539 0.123 11.826 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.705 -0.467 10.401 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.699 1.020 11.539 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.577 0.546 12.980 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.960 -1.562 10.899 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.672 -1.025 11.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.840 -2.916 12.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.065 -1.553 13.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.312 -2.072 12.844 1.00 0.00 H new ATOM 971 N ASN A 64 -10.687 1.819 9.103 1.00 0.00 N ATOM 972 CA ASN A 64 -11.956 2.467 8.816 1.00 0.00 C ATOM 973 C ASN A 64 -11.974 2.914 7.352 1.00 0.00 C ATOM 974 O ASN A 64 -11.553 4.025 7.033 1.00 0.00 O ATOM 975 CB ASN A 64 -12.152 3.707 9.691 1.00 0.00 C ATOM 976 CG ASN A 64 -13.632 3.921 10.013 1.00 0.00 C ATOM 977 OD1 ASN A 64 -14.355 4.607 9.309 1.00 0.00 O ATOM 978 ND2 ASN A 64 -14.041 3.298 11.115 1.00 0.00 N ATOM 0 H ASN A 64 -10.756 0.985 9.687 1.00 0.00 H new ATOM 0 HA ASN A 64 -12.754 1.753 9.020 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.587 3.597 10.616 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.757 4.584 9.179 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -15.012 3.379 11.416 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -13.383 2.739 11.659 1.00 0.00 H new ATOM 985 N LEU A 65 -12.467 2.026 6.502 1.00 0.00 N ATOM 986 CA LEU A 65 -12.547 2.314 5.080 1.00 0.00 C ATOM 987 C LEU A 65 -13.981 2.088 4.597 1.00 0.00 C ATOM 988 O LEU A 65 -14.929 2.585 5.203 1.00 0.00 O ATOM 989 CB LEU A 65 -11.503 1.504 4.310 1.00 0.00 C ATOM 990 CG LEU A 65 -11.155 2.016 2.910 1.00 0.00 C ATOM 991 CD1 LEU A 65 -11.851 3.348 2.625 1.00 0.00 C ATOM 992 CD2 LEU A 65 -9.640 2.108 2.721 1.00 0.00 C ATOM 0 H LEU A 65 -12.815 1.106 6.771 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.308 3.360 4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.588 1.472 4.902 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.861 0.478 4.222 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.527 1.296 2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.587 3.690 1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.931 3.215 2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.532 4.089 3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.420 2.474 1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.222 2.794 3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.196 1.121 2.852 1.00 0.00 H new ATOM 1004 N ASN A 66 -14.094 1.337 3.511 1.00 0.00 N ATOM 1005 CA ASN A 66 -15.396 1.038 2.941 1.00 0.00 C ATOM 1006 C ASN A 66 -16.067 -0.066 3.760 1.00 0.00 C ATOM 1007 O ASN A 66 -16.152 -1.210 3.315 1.00 0.00 O ATOM 1008 CB ASN A 66 -15.265 0.543 1.499 1.00 0.00 C ATOM 1009 CG ASN A 66 -16.405 1.078 0.630 1.00 0.00 C ATOM 1010 OD1 ASN A 66 -17.347 0.378 0.297 1.00 0.00 O ATOM 1011 ND2 ASN A 66 -16.267 2.354 0.281 1.00 0.00 N ATOM 0 H ASN A 66 -13.305 0.927 3.011 1.00 0.00 H new ATOM 0 HA ASN A 66 -15.988 1.953 2.957 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -14.308 0.862 1.087 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.271 -0.547 1.483 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -16.975 2.803 -0.300 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -15.453 2.883 0.594 1.00 0.00 H new ATOM 1018 N GLY A 67 -16.525 0.315 4.943 1.00 0.00 N ATOM 1019 CA GLY A 67 -17.186 -0.628 5.829 1.00 0.00 C ATOM 1020 C GLY A 67 -16.214 -1.714 6.297 1.00 0.00 C ATOM 1021 O GLY A 67 -16.635 -2.792 6.713 1.00 0.00 O ATOM 0 H GLY A 67 -16.451 1.264 5.309 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -17.590 -0.100 6.693 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -18.029 -1.087 5.313 1.00 0.00 H new ATOM 1025 N LYS A 68 -14.932 -1.391 6.213 1.00 0.00 N ATOM 1026 CA LYS A 68 -13.896 -2.325 6.622 1.00 0.00 C ATOM 1027 C LYS A 68 -12.541 -1.615 6.611 1.00 0.00 C ATOM 1028 O LYS A 68 -12.461 -0.429 6.294 1.00 0.00 O ATOM 1029 CB LYS A 68 -13.938 -3.585 5.754 1.00 0.00 C ATOM 1030 CG LYS A 68 -14.488 -3.273 4.361 1.00 0.00 C ATOM 1031 CD LYS A 68 -13.731 -4.053 3.284 1.00 0.00 C ATOM 1032 CE LYS A 68 -14.684 -4.558 2.200 1.00 0.00 C ATOM 1033 NZ LYS A 68 -15.388 -3.423 1.560 1.00 0.00 N ATOM 0 H LYS A 68 -14.587 -0.495 5.868 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.070 -2.663 7.643 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.936 -4.005 5.668 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.560 -4.341 6.234 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.548 -3.525 4.320 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.407 -2.204 4.165 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.970 -3.415 2.835 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.212 -4.897 3.739 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.127 -5.118 1.449 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.410 -5.245 2.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.092 -3.787 0.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.867 -2.856 2.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.700 -2.828 1.055 1.00 0.00 H new ATOM 1047 N SER A 69 -11.510 -2.370 6.961 1.00 0.00 N ATOM 1048 CA SER A 69 -10.163 -1.828 6.995 1.00 0.00 C ATOM 1049 C SER A 69 -9.255 -2.621 6.053 1.00 0.00 C ATOM 1050 O SER A 69 -9.503 -3.797 5.790 1.00 0.00 O ATOM 1051 CB SER A 69 -9.598 -1.847 8.417 1.00 0.00 C ATOM 1052 OG SER A 69 -10.377 -1.058 9.312 1.00 0.00 O ATOM 0 H SER A 69 -11.581 -3.353 7.224 1.00 0.00 H new ATOM 0 HA SER A 69 -10.203 -0.791 6.662 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.561 -2.875 8.778 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.573 -1.476 8.405 1.00 0.00 H new ATOM 0 HG SER A 69 -9.985 -1.098 10.209 1.00 0.00 H new ATOM 1058 N TYR A 70 -8.223 -1.945 5.570 1.00 0.00 N ATOM 1059 CA TYR A 70 -7.277 -2.572 4.662 1.00 0.00 C ATOM 1060 C TYR A 70 -5.839 -2.376 5.147 1.00 0.00 C ATOM 1061 O TYR A 70 -5.534 -1.387 5.812 1.00 0.00 O ATOM 1062 CB TYR A 70 -7.450 -1.863 3.317 1.00 0.00 C ATOM 1063 CG TYR A 70 -8.792 -2.140 2.636 1.00 0.00 C ATOM 1064 CD1 TYR A 70 -9.949 -1.579 3.137 1.00 0.00 C ATOM 1065 CD2 TYR A 70 -8.845 -2.952 1.521 1.00 0.00 C ATOM 1066 CE1 TYR A 70 -11.212 -1.839 2.495 1.00 0.00 C ATOM 1067 CE2 TYR A 70 -10.108 -3.212 0.880 1.00 0.00 C ATOM 1068 CZ TYR A 70 -11.229 -2.643 1.398 1.00 0.00 C ATOM 1069 OH TYR A 70 -12.421 -2.890 0.793 1.00 0.00 O ATOM 0 H TYR A 70 -8.021 -0.970 5.790 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.461 -3.644 4.596 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -7.346 -0.789 3.468 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.645 -2.171 2.649 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.908 -0.945 4.010 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.940 -3.392 1.130 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -12.125 -1.405 2.876 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.164 -3.845 0.007 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.281 -3.479 0.022 1.00 0.00 H new ATOM 1079 N SER A 71 -4.994 -3.334 4.796 1.00 0.00 N ATOM 1080 CA SER A 71 -3.596 -3.280 5.187 1.00 0.00 C ATOM 1081 C SER A 71 -2.707 -3.677 4.007 1.00 0.00 C ATOM 1082 O SER A 71 -3.066 -4.553 3.222 1.00 0.00 O ATOM 1083 CB SER A 71 -3.324 -4.189 6.387 1.00 0.00 C ATOM 1084 OG SER A 71 -3.717 -5.536 6.136 1.00 0.00 O ATOM 0 H SER A 71 -5.251 -4.153 4.245 1.00 0.00 H new ATOM 0 HA SER A 71 -3.362 -2.257 5.481 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.262 -4.160 6.630 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.860 -3.811 7.257 1.00 0.00 H new ATOM 0 HG SER A 71 -4.667 -5.560 5.896 1.00 0.00 H new ATOM 1090 N MET A 72 -1.563 -3.013 3.920 1.00 0.00 N ATOM 1091 CA MET A 72 -0.620 -3.286 2.849 1.00 0.00 C ATOM 1092 C MET A 72 0.815 -2.995 3.295 1.00 0.00 C ATOM 1093 O MET A 72 1.141 -1.864 3.650 1.00 0.00 O ATOM 1094 CB MET A 72 -0.962 -2.421 1.634 1.00 0.00 C ATOM 1095 CG MET A 72 0.223 -2.337 0.670 1.00 0.00 C ATOM 1096 SD MET A 72 -0.343 -1.855 -0.953 1.00 0.00 S ATOM 1097 CE MET A 72 0.130 -3.300 -1.887 1.00 0.00 C ATOM 0 H MET A 72 -1.268 -2.287 4.573 1.00 0.00 H new ATOM 0 HA MET A 72 -0.693 -4.341 2.587 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.827 -2.838 1.118 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.240 -1.420 1.963 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.952 -1.616 1.039 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.728 -3.302 0.616 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.541 -2.993 -2.849 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.882 -3.861 -1.333 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.745 -3.930 -2.051 1.00 0.00 H new ATOM 1107 N ILE A 73 1.633 -4.037 3.263 1.00 0.00 N ATOM 1108 CA ILE A 73 3.025 -3.908 3.659 1.00 0.00 C ATOM 1109 C ILE A 73 3.909 -4.636 2.645 1.00 0.00 C ATOM 1110 O ILE A 73 3.520 -5.671 2.106 1.00 0.00 O ATOM 1111 CB ILE A 73 3.219 -4.387 5.099 1.00 0.00 C ATOM 1112 CG1 ILE A 73 2.535 -3.441 6.088 1.00 0.00 C ATOM 1113 CG2 ILE A 73 4.703 -4.577 5.419 1.00 0.00 C ATOM 1114 CD1 ILE A 73 3.050 -3.670 7.511 1.00 0.00 C ATOM 0 H ILE A 73 1.358 -4.974 2.969 1.00 0.00 H new ATOM 0 HA ILE A 73 3.327 -2.861 3.652 1.00 0.00 H new ATOM 0 HB ILE A 73 2.741 -5.361 5.202 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.717 -2.407 5.793 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.456 -3.596 6.058 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.812 -4.918 6.449 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.129 -5.319 4.744 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.227 -3.629 5.293 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.548 -2.985 8.194 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.845 -4.698 7.811 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.125 -3.491 7.542 1.00 0.00 H new ATOM 1126 N VAL A 74 5.083 -4.066 2.415 1.00 0.00 N ATOM 1127 CA VAL A 74 6.026 -4.648 1.474 1.00 0.00 C ATOM 1128 C VAL A 74 7.387 -4.805 2.155 1.00 0.00 C ATOM 1129 O VAL A 74 7.975 -3.825 2.609 1.00 0.00 O ATOM 1130 CB VAL A 74 6.088 -3.799 0.203 1.00 0.00 C ATOM 1131 CG1 VAL A 74 4.769 -3.058 -0.027 1.00 0.00 C ATOM 1132 CG2 VAL A 74 7.265 -2.822 0.253 1.00 0.00 C ATOM 0 H VAL A 74 5.403 -3.208 2.864 1.00 0.00 H new ATOM 0 HA VAL A 74 5.698 -5.642 1.169 1.00 0.00 H new ATOM 0 HB VAL A 74 6.246 -4.471 -0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.840 -2.462 -0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.959 -3.780 -0.129 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.567 -2.403 0.821 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.286 -2.231 -0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.151 -2.159 1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.197 -3.380 0.346 1.00 0.00 H new ATOM 1142 N ASN A 75 7.848 -6.047 2.205 1.00 0.00 N ATOM 1143 CA ASN A 75 9.129 -6.345 2.823 1.00 0.00 C ATOM 1144 C ASN A 75 10.089 -6.885 1.761 1.00 0.00 C ATOM 1145 O ASN A 75 9.765 -7.839 1.054 1.00 0.00 O ATOM 1146 CB ASN A 75 8.980 -7.410 3.911 1.00 0.00 C ATOM 1147 CG ASN A 75 7.941 -6.988 4.953 1.00 0.00 C ATOM 1148 OD1 ASN A 75 8.066 -5.972 5.616 1.00 0.00 O ATOM 1149 ND2 ASN A 75 6.912 -7.824 5.058 1.00 0.00 N ATOM 0 H ASN A 75 7.357 -6.858 1.828 1.00 0.00 H new ATOM 0 HA ASN A 75 9.512 -5.426 3.267 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.684 -8.357 3.460 1.00 0.00 H new ATOM 0 HB3 ASN A 75 9.941 -7.575 4.397 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.165 -7.632 5.725 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.870 -8.657 4.471 1.00 0.00 H new ATOM 1156 N ASN A 76 11.250 -6.252 1.682 1.00 0.00 N ATOM 1157 CA ASN A 76 12.259 -6.658 0.718 1.00 0.00 C ATOM 1158 C ASN A 76 11.962 -6.000 -0.632 1.00 0.00 C ATOM 1159 O ASN A 76 11.134 -6.492 -1.397 1.00 0.00 O ATOM 1160 CB ASN A 76 12.251 -8.174 0.517 1.00 0.00 C ATOM 1161 CG ASN A 76 12.025 -8.902 1.844 1.00 0.00 C ATOM 1162 OD1 ASN A 76 12.606 -8.577 2.866 1.00 0.00 O ATOM 1163 ND2 ASN A 76 11.151 -9.901 1.770 1.00 0.00 N ATOM 0 H ASN A 76 11.515 -5.461 2.269 1.00 0.00 H new ATOM 0 HA ASN A 76 13.233 -6.351 1.099 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.467 -8.447 -0.190 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.198 -8.492 0.081 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.931 -10.449 2.602 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.700 -10.120 0.881 1.00 0.00 H new ATOM 1170 N LEU A 77 12.655 -4.899 -0.883 1.00 0.00 N ATOM 1171 CA LEU A 77 12.475 -4.170 -2.126 1.00 0.00 C ATOM 1172 C LEU A 77 13.700 -4.382 -3.018 1.00 0.00 C ATOM 1173 O LEU A 77 14.835 -4.283 -2.554 1.00 0.00 O ATOM 1174 CB LEU A 77 12.168 -2.697 -1.844 1.00 0.00 C ATOM 1175 CG LEU A 77 10.877 -2.418 -1.073 1.00 0.00 C ATOM 1176 CD1 LEU A 77 10.838 -0.972 -0.575 1.00 0.00 C ATOM 1177 CD2 LEU A 77 9.648 -2.767 -1.915 1.00 0.00 C ATOM 0 H LEU A 77 13.342 -4.495 -0.247 1.00 0.00 H new ATOM 0 HA LEU A 77 11.612 -4.553 -2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 77 13.001 -2.273 -1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 77 12.122 -2.167 -2.795 1.00 0.00 H new ATOM 0 HG LEU A 77 10.858 -3.063 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.910 -0.800 -0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.686 -0.792 0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.891 -0.293 -1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.744 -2.559 -1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.648 -2.167 -2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.676 -3.824 -2.178 1.00 0.00 H new ATOM 1189 N LEU A 78 13.429 -4.671 -4.282 1.00 0.00 N ATOM 1190 CA LEU A 78 14.495 -4.898 -5.243 1.00 0.00 C ATOM 1191 C LEU A 78 15.632 -3.908 -4.981 1.00 0.00 C ATOM 1192 O LEU A 78 16.793 -4.303 -4.883 1.00 0.00 O ATOM 1193 CB LEU A 78 13.950 -4.844 -6.672 1.00 0.00 C ATOM 1194 CG LEU A 78 14.704 -5.677 -7.710 1.00 0.00 C ATOM 1195 CD1 LEU A 78 14.564 -7.172 -7.419 1.00 0.00 C ATOM 1196 CD2 LEU A 78 14.253 -5.324 -9.129 1.00 0.00 C ATOM 0 H LEU A 78 12.486 -4.753 -4.663 1.00 0.00 H new ATOM 0 HA LEU A 78 14.909 -5.899 -5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.911 -5.174 -6.656 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.950 -3.805 -7.000 1.00 0.00 H new ATOM 0 HG LEU A 78 15.764 -5.433 -7.639 1.00 0.00 H new ATOM 0 HD11 LEU A 78 15.109 -7.742 -8.172 1.00 0.00 H new ATOM 0 HD12 LEU A 78 14.972 -7.390 -6.432 1.00 0.00 H new ATOM 0 HD13 LEU A 78 13.511 -7.451 -7.446 1.00 0.00 H new ATOM 0 HD21 LEU A 78 14.805 -5.930 -9.847 1.00 0.00 H new ATOM 0 HD22 LEU A 78 13.186 -5.521 -9.231 1.00 0.00 H new ATOM 0 HD23 LEU A 78 14.447 -4.269 -9.320 1.00 0.00 H new ATOM 1208 N LYS A 79 15.258 -2.642 -4.875 1.00 0.00 N ATOM 1209 CA LYS A 79 16.232 -1.592 -4.626 1.00 0.00 C ATOM 1210 C LYS A 79 15.826 -0.812 -3.374 1.00 0.00 C ATOM 1211 O LYS A 79 14.662 -0.831 -2.976 1.00 0.00 O ATOM 1212 CB LYS A 79 16.405 -0.716 -5.868 1.00 0.00 C ATOM 1213 CG LYS A 79 16.705 -1.567 -7.103 1.00 0.00 C ATOM 1214 CD LYS A 79 18.207 -1.611 -7.387 1.00 0.00 C ATOM 1215 CE LYS A 79 18.535 -2.667 -8.444 1.00 0.00 C ATOM 1216 NZ LYS A 79 19.956 -3.069 -8.352 1.00 0.00 N ATOM 0 H LYS A 79 14.294 -2.319 -4.957 1.00 0.00 H new ATOM 0 HA LYS A 79 17.214 -2.022 -4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.499 -0.133 -6.035 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.216 -0.006 -5.706 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.330 -2.579 -6.951 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.180 -1.159 -7.967 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.545 -0.633 -7.728 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.748 -1.832 -6.467 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.895 -3.538 -8.307 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.326 -2.272 -9.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 20.161 -3.786 -9.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 20.562 -2.238 -8.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 20.144 -3.466 -7.409 1.00 0.00 H new ATOM 1230 N PRO A 80 16.835 -0.127 -2.771 1.00 0.00 N ATOM 1231 CA PRO A 80 16.594 0.658 -1.573 1.00 0.00 C ATOM 1232 C PRO A 80 15.863 1.960 -1.907 1.00 0.00 C ATOM 1233 O PRO A 80 15.768 2.340 -3.073 1.00 0.00 O ATOM 1234 CB PRO A 80 17.971 0.888 -0.970 1.00 0.00 C ATOM 1235 CG PRO A 80 18.965 0.626 -2.090 1.00 0.00 C ATOM 1236 CD PRO A 80 18.225 -0.082 -3.214 1.00 0.00 C ATOM 0 HA PRO A 80 15.942 0.151 -0.862 1.00 0.00 H new ATOM 0 HB2 PRO A 80 18.067 1.906 -0.593 1.00 0.00 H new ATOM 0 HB3 PRO A 80 18.146 0.218 -0.128 1.00 0.00 H new ATOM 0 HG2 PRO A 80 19.394 1.562 -2.446 1.00 0.00 H new ATOM 0 HG3 PRO A 80 19.791 0.012 -1.731 1.00 0.00 H new ATOM 0 HD2 PRO A 80 18.323 0.459 -4.155 1.00 0.00 H new ATOM 0 HD3 PRO A 80 18.621 -1.084 -3.379 1.00 0.00 H new ATOM 1244 N ILE A 81 15.366 2.607 -0.863 1.00 0.00 N ATOM 1245 CA ILE A 81 14.646 3.857 -1.032 1.00 0.00 C ATOM 1246 C ILE A 81 14.958 4.783 0.146 1.00 0.00 C ATOM 1247 O ILE A 81 15.395 4.325 1.201 1.00 0.00 O ATOM 1248 CB ILE A 81 13.152 3.594 -1.228 1.00 0.00 C ATOM 1249 CG1 ILE A 81 12.600 2.705 -0.110 1.00 0.00 C ATOM 1250 CG2 ILE A 81 12.875 3.009 -2.614 1.00 0.00 C ATOM 1251 CD1 ILE A 81 11.557 3.454 0.721 1.00 0.00 C ATOM 0 H ILE A 81 15.448 2.289 0.103 1.00 0.00 H new ATOM 0 HA ILE A 81 14.977 4.367 -1.937 1.00 0.00 H new ATOM 0 HB ILE A 81 12.627 4.548 -1.170 1.00 0.00 H new ATOM 0 HG12 ILE A 81 12.152 1.809 -0.540 1.00 0.00 H new ATOM 0 HG13 ILE A 81 13.415 2.376 0.534 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.805 2.832 -2.727 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.209 3.710 -3.378 1.00 0.00 H new ATOM 0 HG23 ILE A 81 13.413 2.067 -2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 81 11.181 2.800 1.508 1.00 0.00 H new ATOM 0 HD12 ILE A 81 12.014 4.336 1.170 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.731 3.760 0.078 1.00 0.00 H new ATOM 1263 N SER A 82 14.720 6.068 -0.073 1.00 0.00 N ATOM 1264 CA SER A 82 14.970 7.061 0.957 1.00 0.00 C ATOM 1265 C SER A 82 13.708 7.277 1.794 1.00 0.00 C ATOM 1266 O SER A 82 12.663 7.649 1.263 1.00 0.00 O ATOM 1267 CB SER A 82 15.433 8.385 0.345 1.00 0.00 C ATOM 1268 OG SER A 82 14.571 9.465 0.693 1.00 0.00 O ATOM 0 H SER A 82 14.357 6.444 -0.949 1.00 0.00 H new ATOM 0 HA SER A 82 15.767 6.691 1.602 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.445 8.606 0.683 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.473 8.288 -0.740 1.00 0.00 H new ATOM 0 HG SER A 82 15.107 10.264 0.881 1.00 0.00 H new ATOM 1274 N VAL A 83 13.846 7.033 3.089 1.00 0.00 N ATOM 1275 CA VAL A 83 12.729 7.195 4.004 1.00 0.00 C ATOM 1276 C VAL A 83 12.362 8.678 4.095 1.00 0.00 C ATOM 1277 O VAL A 83 11.296 9.086 3.637 1.00 0.00 O ATOM 1278 CB VAL A 83 13.073 6.580 5.363 1.00 0.00 C ATOM 1279 CG1 VAL A 83 12.026 6.955 6.414 1.00 0.00 C ATOM 1280 CG2 VAL A 83 13.222 5.061 5.254 1.00 0.00 C ATOM 0 H VAL A 83 14.714 6.724 3.526 1.00 0.00 H new ATOM 0 HA VAL A 83 11.852 6.664 3.634 1.00 0.00 H new ATOM 0 HB VAL A 83 14.031 6.988 5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.293 6.506 7.370 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.989 8.039 6.520 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.049 6.588 6.101 1.00 0.00 H new ATOM 0 HG21 VAL A 83 13.466 4.648 6.233 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.286 4.628 4.901 1.00 0.00 H new ATOM 0 HG23 VAL A 83 14.020 4.823 4.550 1.00 0.00 H new ATOM 1290 N GLU A 84 13.265 9.443 4.690 1.00 0.00 N ATOM 1291 CA GLU A 84 13.049 10.872 4.847 1.00 0.00 C ATOM 1292 C GLU A 84 12.460 11.463 3.565 1.00 0.00 C ATOM 1293 O GLU A 84 11.570 12.311 3.620 1.00 0.00 O ATOM 1294 CB GLU A 84 14.348 11.583 5.233 1.00 0.00 C ATOM 1295 CG GLU A 84 14.350 11.953 6.718 1.00 0.00 C ATOM 1296 CD GLU A 84 15.323 13.100 6.995 1.00 0.00 C ATOM 1297 OE1 GLU A 84 14.902 14.261 6.798 1.00 0.00 O ATOM 1298 OE2 GLU A 84 16.465 12.791 7.399 1.00 0.00 O ATOM 0 H GLU A 84 14.148 9.101 5.069 1.00 0.00 H new ATOM 0 HA GLU A 84 12.335 11.026 5.656 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.199 10.938 5.014 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.467 12.483 4.630 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.345 12.241 7.026 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.629 11.083 7.313 1.00 0.00 H new ATOM 1305 N GLY A 85 12.980 10.994 2.440 1.00 0.00 N ATOM 1306 CA GLY A 85 12.516 11.466 1.147 1.00 0.00 C ATOM 1307 C GLY A 85 11.199 10.791 0.757 1.00 0.00 C ATOM 1308 O GLY A 85 10.366 11.393 0.081 1.00 0.00 O ATOM 0 H GLY A 85 13.718 10.292 2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 85 12.379 12.547 1.178 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.272 11.262 0.389 1.00 0.00 H new ATOM 1312 N SER A 86 11.053 9.551 1.200 1.00 0.00 N ATOM 1313 CA SER A 86 9.851 8.789 0.906 1.00 0.00 C ATOM 1314 C SER A 86 8.618 9.542 1.409 1.00 0.00 C ATOM 1315 O SER A 86 8.652 10.157 2.473 1.00 0.00 O ATOM 1316 CB SER A 86 9.915 7.396 1.535 1.00 0.00 C ATOM 1317 OG SER A 86 10.647 6.478 0.726 1.00 0.00 O ATOM 0 H SER A 86 11.747 9.055 1.760 1.00 0.00 H new ATOM 0 HA SER A 86 9.779 8.667 -0.175 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.380 7.463 2.518 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.903 7.019 1.686 1.00 0.00 H new ATOM 0 HG SER A 86 11.539 6.841 0.544 1.00 0.00 H new ATOM 1323 N SER A 87 7.556 9.467 0.619 1.00 0.00 N ATOM 1324 CA SER A 87 6.314 10.134 0.970 1.00 0.00 C ATOM 1325 C SER A 87 5.121 9.284 0.529 1.00 0.00 C ATOM 1326 O SER A 87 5.253 8.429 -0.346 1.00 0.00 O ATOM 1327 CB SER A 87 6.237 11.525 0.338 1.00 0.00 C ATOM 1328 OG SER A 87 7.502 12.182 0.339 1.00 0.00 O ATOM 0 H SER A 87 7.531 8.955 -0.263 1.00 0.00 H new ATOM 0 HA SER A 87 6.286 10.255 2.053 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.874 11.438 -0.686 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.513 12.131 0.883 1.00 0.00 H new ATOM 0 HG SER A 87 7.412 13.066 -0.074 1.00 0.00 H new ATOM 1334 N LYS A 88 3.983 9.548 1.154 1.00 0.00 N ATOM 1335 CA LYS A 88 2.768 8.818 0.837 1.00 0.00 C ATOM 1336 C LYS A 88 1.683 9.806 0.401 1.00 0.00 C ATOM 1337 O LYS A 88 1.592 10.909 0.939 1.00 0.00 O ATOM 1338 CB LYS A 88 2.354 7.930 2.011 1.00 0.00 C ATOM 1339 CG LYS A 88 0.854 7.631 1.971 1.00 0.00 C ATOM 1340 CD LYS A 88 0.078 8.600 2.866 1.00 0.00 C ATOM 1341 CE LYS A 88 -1.096 7.895 3.548 1.00 0.00 C ATOM 1342 NZ LYS A 88 -2.227 8.833 3.732 1.00 0.00 N ATOM 0 H LYS A 88 3.877 10.258 1.879 1.00 0.00 H new ATOM 0 HA LYS A 88 2.939 8.141 0.000 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.915 6.996 1.981 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.605 8.423 2.950 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.491 7.707 0.946 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.675 6.606 2.297 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.745 9.017 3.621 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.291 9.435 2.270 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.416 7.044 2.947 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.780 7.502 4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -3.114 8.367 3.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.284 9.116 4.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.078 9.676 3.141 1.00 0.00 H new ATOM 1356 N LYS A 89 0.889 9.375 -0.567 1.00 0.00 N ATOM 1357 CA LYS A 89 -0.185 10.208 -1.081 1.00 0.00 C ATOM 1358 C LYS A 89 -1.457 9.368 -1.214 1.00 0.00 C ATOM 1359 O LYS A 89 -1.399 8.139 -1.184 1.00 0.00 O ATOM 1360 CB LYS A 89 0.241 10.890 -2.382 1.00 0.00 C ATOM 1361 CG LYS A 89 0.857 12.263 -2.106 1.00 0.00 C ATOM 1362 CD LYS A 89 0.311 13.314 -3.074 1.00 0.00 C ATOM 1363 CE LYS A 89 0.805 13.056 -4.499 1.00 0.00 C ATOM 1364 NZ LYS A 89 2.172 13.593 -4.679 1.00 0.00 N ATOM 0 H LYS A 89 0.968 8.459 -1.010 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.408 11.016 -0.384 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.962 10.263 -2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.622 11.000 -3.038 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.642 12.562 -1.080 1.00 0.00 H new ATOM 0 HG3 LYS A 89 1.941 12.205 -2.201 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.779 13.300 -3.055 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.623 14.307 -2.751 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.799 11.985 -4.704 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.128 13.522 -5.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 2.614 13.146 -5.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 2.125 14.622 -4.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 2.740 13.389 -3.832 1.00 0.00 H new ATOM 1378 N VAL A 90 -2.575 10.063 -1.360 1.00 0.00 N ATOM 1379 CA VAL A 90 -3.859 9.396 -1.498 1.00 0.00 C ATOM 1380 C VAL A 90 -4.654 10.060 -2.624 1.00 0.00 C ATOM 1381 O VAL A 90 -4.847 11.274 -2.620 1.00 0.00 O ATOM 1382 CB VAL A 90 -4.599 9.403 -0.159 1.00 0.00 C ATOM 1383 CG1 VAL A 90 -5.991 8.785 -0.300 1.00 0.00 C ATOM 1384 CG2 VAL A 90 -3.786 8.684 0.920 1.00 0.00 C ATOM 0 H VAL A 90 -2.619 11.082 -1.386 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.719 8.350 -1.771 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.723 10.441 0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.496 8.802 0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.572 9.357 -1.023 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.899 7.755 -0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.334 8.703 1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.617 7.650 0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.827 9.186 1.048 1.00 0.00 H new ATOM 1394 N LYS A 91 -5.094 9.233 -3.561 1.00 0.00 N ATOM 1395 CA LYS A 91 -5.864 9.724 -4.691 1.00 0.00 C ATOM 1396 C LYS A 91 -7.307 9.228 -4.574 1.00 0.00 C ATOM 1397 O LYS A 91 -7.636 8.478 -3.656 1.00 0.00 O ATOM 1398 CB LYS A 91 -5.187 9.340 -6.009 1.00 0.00 C ATOM 1399 CG LYS A 91 -4.211 8.179 -5.806 1.00 0.00 C ATOM 1400 CD LYS A 91 -3.675 7.674 -7.146 1.00 0.00 C ATOM 1401 CE LYS A 91 -2.926 8.782 -7.890 1.00 0.00 C ATOM 1402 NZ LYS A 91 -2.322 8.254 -9.134 1.00 0.00 N ATOM 0 H LYS A 91 -4.932 8.226 -3.561 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.899 10.813 -4.683 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.943 9.060 -6.742 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.655 10.201 -6.413 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.382 8.502 -5.177 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.712 7.366 -5.281 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.008 6.828 -6.979 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.501 7.313 -7.759 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.611 9.596 -8.128 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.148 9.197 -7.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.166 9.035 -9.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.412 7.801 -8.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.962 7.555 -9.561 1.00 0.00 H new ATOM 1416 N THR A 92 -8.129 9.667 -5.516 1.00 0.00 N ATOM 1417 CA THR A 92 -9.528 9.277 -5.530 1.00 0.00 C ATOM 1418 C THR A 92 -9.657 7.753 -5.529 1.00 0.00 C ATOM 1419 O THR A 92 -9.187 7.086 -6.450 1.00 0.00 O ATOM 1420 CB THR A 92 -10.193 9.943 -6.736 1.00 0.00 C ATOM 1421 OG1 THR A 92 -9.937 11.332 -6.551 1.00 0.00 O ATOM 1422 CG2 THR A 92 -11.718 9.836 -6.698 1.00 0.00 C ATOM 0 H THR A 92 -7.852 10.289 -6.275 1.00 0.00 H new ATOM 0 HA THR A 92 -10.042 9.615 -4.630 1.00 0.00 H new ATOM 0 HB THR A 92 -9.821 9.486 -7.653 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.333 11.839 -7.291 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.139 10.325 -7.577 1.00 0.00 H new ATOM 0 HG22 THR A 92 -12.009 8.786 -6.693 1.00 0.00 H new ATOM 0 HG23 THR A 92 -12.094 10.321 -5.798 1.00 0.00 H new ATOM 1430 N ASP A 93 -10.296 7.245 -4.485 1.00 0.00 N ATOM 1431 CA ASP A 93 -10.492 5.812 -4.352 1.00 0.00 C ATOM 1432 C ASP A 93 -9.186 5.089 -4.688 1.00 0.00 C ATOM 1433 O ASP A 93 -9.205 3.988 -5.236 1.00 0.00 O ATOM 1434 CB ASP A 93 -11.570 5.312 -5.317 1.00 0.00 C ATOM 1435 CG ASP A 93 -11.282 5.568 -6.797 1.00 0.00 C ATOM 1436 OD1 ASP A 93 -11.659 6.663 -7.268 1.00 0.00 O ATOM 1437 OD2 ASP A 93 -10.692 4.662 -7.425 1.00 0.00 O ATOM 0 H ASP A 93 -10.685 7.801 -3.723 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.801 5.608 -3.327 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.701 4.240 -5.168 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.516 5.788 -5.059 1.00 0.00 H new ATOM 1442 N THR A 94 -8.083 5.738 -4.344 1.00 0.00 N ATOM 1443 CA THR A 94 -6.771 5.171 -4.602 1.00 0.00 C ATOM 1444 C THR A 94 -5.743 5.737 -3.620 1.00 0.00 C ATOM 1445 O THR A 94 -5.822 6.903 -3.237 1.00 0.00 O ATOM 1446 CB THR A 94 -6.421 5.435 -6.068 1.00 0.00 C ATOM 1447 OG1 THR A 94 -7.332 4.616 -6.795 1.00 0.00 O ATOM 1448 CG2 THR A 94 -5.043 4.890 -6.449 1.00 0.00 C ATOM 0 H THR A 94 -8.071 6.651 -3.889 1.00 0.00 H new ATOM 0 HA THR A 94 -6.768 4.093 -4.442 1.00 0.00 H new ATOM 0 HB THR A 94 -6.452 6.507 -6.261 1.00 0.00 H new ATOM 0 HG1 THR A 94 -7.848 4.066 -6.169 1.00 0.00 H new ATOM 0 HG21 THR A 94 -4.845 5.104 -7.499 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.280 5.365 -5.832 1.00 0.00 H new ATOM 0 HG23 THR A 94 -5.021 3.812 -6.288 1.00 0.00 H new ATOM 1456 N VAL A 95 -4.801 4.885 -3.242 1.00 0.00 N ATOM 1457 CA VAL A 95 -3.759 5.286 -2.312 1.00 0.00 C ATOM 1458 C VAL A 95 -2.410 5.287 -3.034 1.00 0.00 C ATOM 1459 O VAL A 95 -2.058 4.314 -3.700 1.00 0.00 O ATOM 1460 CB VAL A 95 -3.778 4.377 -1.081 1.00 0.00 C ATOM 1461 CG1 VAL A 95 -3.580 2.913 -1.478 1.00 0.00 C ATOM 1462 CG2 VAL A 95 -2.726 4.816 -0.060 1.00 0.00 C ATOM 0 H VAL A 95 -4.738 3.919 -3.563 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.936 6.300 -1.953 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.758 4.467 -0.612 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.598 2.288 -0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.381 2.607 -2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.620 2.799 -1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.760 4.154 0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.736 4.769 -0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.931 5.838 0.257 1.00 0.00 H new ATOM 1472 N LEU A 96 -1.692 6.389 -2.878 1.00 0.00 N ATOM 1473 CA LEU A 96 -0.390 6.529 -3.507 1.00 0.00 C ATOM 1474 C LEU A 96 0.704 6.336 -2.454 1.00 0.00 C ATOM 1475 O LEU A 96 0.534 6.724 -1.299 1.00 0.00 O ATOM 1476 CB LEU A 96 -0.296 7.861 -4.253 1.00 0.00 C ATOM 1477 CG LEU A 96 -0.441 7.790 -5.775 1.00 0.00 C ATOM 1478 CD1 LEU A 96 0.090 9.063 -6.437 1.00 0.00 C ATOM 1479 CD2 LEU A 96 0.230 6.532 -6.331 1.00 0.00 C ATOM 0 H LEU A 96 -1.987 7.194 -2.325 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.247 5.756 -4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.067 8.527 -3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.666 8.318 -4.021 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.502 7.722 -6.014 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.025 8.986 -7.518 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.471 9.924 -6.073 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.145 9.187 -6.192 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.113 6.506 -7.414 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.291 6.545 -6.081 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.235 5.648 -5.894 1.00 0.00 H new ATOM 1491 N ILE A 97 1.801 5.735 -2.891 1.00 0.00 N ATOM 1492 CA ILE A 97 2.922 5.486 -2.000 1.00 0.00 C ATOM 1493 C ILE A 97 4.226 5.851 -2.713 1.00 0.00 C ATOM 1494 O ILE A 97 4.826 5.013 -3.385 1.00 0.00 O ATOM 1495 CB ILE A 97 2.886 4.046 -1.484 1.00 0.00 C ATOM 1496 CG1 ILE A 97 1.504 3.697 -0.928 1.00 0.00 C ATOM 1497 CG2 ILE A 97 3.995 3.803 -0.459 1.00 0.00 C ATOM 1498 CD1 ILE A 97 1.246 4.423 0.393 1.00 0.00 C ATOM 0 H ILE A 97 1.938 5.413 -3.849 1.00 0.00 H new ATOM 0 HA ILE A 97 2.854 6.120 -1.116 1.00 0.00 H new ATOM 0 HB ILE A 97 3.073 3.377 -2.324 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.737 3.970 -1.653 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.430 2.620 -0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.947 2.772 -0.108 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.965 3.984 -0.923 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.865 4.480 0.385 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.257 4.158 0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.001 4.130 1.123 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.296 5.500 0.232 1.00 0.00 H new ATOM 1510 N LEU A 98 4.625 7.103 -2.543 1.00 0.00 N ATOM 1511 CA LEU A 98 5.846 7.589 -3.162 1.00 0.00 C ATOM 1512 C LEU A 98 7.053 7.064 -2.381 1.00 0.00 C ATOM 1513 O LEU A 98 7.187 7.329 -1.187 1.00 0.00 O ATOM 1514 CB LEU A 98 5.812 9.113 -3.289 1.00 0.00 C ATOM 1515 CG LEU A 98 4.713 9.687 -4.186 1.00 0.00 C ATOM 1516 CD1 LEU A 98 4.150 10.984 -3.602 1.00 0.00 C ATOM 1517 CD2 LEU A 98 5.217 9.875 -5.619 1.00 0.00 C ATOM 0 H LEU A 98 4.124 7.795 -1.986 1.00 0.00 H new ATOM 0 HA LEU A 98 5.934 7.209 -4.180 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.699 9.538 -2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.777 9.448 -3.671 1.00 0.00 H new ATOM 0 HG LEU A 98 3.894 8.969 -4.224 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.371 11.371 -4.259 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.729 10.786 -2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 98 4.949 11.720 -3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.417 10.284 -6.235 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.063 10.562 -5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.531 8.913 -6.023 1.00 0.00 H new ATOM 1529 N CYS A 99 7.900 6.329 -3.086 1.00 0.00 N ATOM 1530 CA CYS A 99 9.091 5.765 -2.474 1.00 0.00 C ATOM 1531 C CYS A 99 10.315 6.314 -3.209 1.00 0.00 C ATOM 1532 O CYS A 99 10.534 5.999 -4.378 1.00 0.00 O ATOM 1533 CB CYS A 99 9.060 4.235 -2.480 1.00 0.00 C ATOM 1534 SG CYS A 99 8.221 3.621 -0.974 1.00 0.00 S ATOM 0 H CYS A 99 7.785 6.111 -4.076 1.00 0.00 H new ATOM 0 HA CYS A 99 9.137 6.058 -1.425 1.00 0.00 H new ATOM 0 HB2 CYS A 99 8.539 3.877 -3.368 1.00 0.00 H new ATOM 0 HB3 CYS A 99 10.076 3.842 -2.526 1.00 0.00 H new ATOM 0 HG CYS A 99 8.198 2.321 -0.990 1.00 0.00 H new ATOM 1540 N ARG A 100 11.081 7.125 -2.494 1.00 0.00 N ATOM 1541 CA ARG A 100 12.278 7.720 -3.064 1.00 0.00 C ATOM 1542 C ARG A 100 13.227 6.629 -3.565 1.00 0.00 C ATOM 1543 O ARG A 100 13.277 5.538 -2.999 1.00 0.00 O ATOM 1544 CB ARG A 100 13.006 8.586 -2.035 1.00 0.00 C ATOM 1545 CG ARG A 100 12.560 10.047 -2.134 1.00 0.00 C ATOM 1546 CD ARG A 100 12.624 10.543 -3.579 1.00 0.00 C ATOM 1547 NE ARG A 100 11.277 10.495 -4.191 1.00 0.00 N ATOM 1548 CZ ARG A 100 10.275 11.323 -3.866 1.00 0.00 C ATOM 1549 NH1 ARG A 100 10.461 12.267 -2.934 1.00 0.00 N ATOM 1550 NH2 ARG A 100 9.086 11.206 -4.473 1.00 0.00 N ATOM 0 H ARG A 100 10.896 7.384 -1.525 1.00 0.00 H new ATOM 0 HA ARG A 100 11.970 8.349 -3.899 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.808 8.209 -1.032 1.00 0.00 H new ATOM 0 HB3 ARG A 100 14.082 8.519 -2.194 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.542 10.147 -1.756 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.196 10.669 -1.504 1.00 0.00 H new ATOM 0 HD2 ARG A 100 13.008 11.563 -3.605 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.316 9.927 -4.153 1.00 0.00 H new ATOM 0 HE ARG A 100 11.101 9.788 -4.904 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.366 12.356 -2.471 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.698 12.897 -2.687 1.00 0.00 H new ATOM 0 HH21 ARG A 100 8.944 10.487 -5.182 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.323 11.836 -4.226 1.00 0.00 H new ATOM 1564 N LYS A 101 13.955 6.962 -4.621 1.00 0.00 N ATOM 1565 CA LYS A 101 14.899 6.024 -5.204 1.00 0.00 C ATOM 1566 C LYS A 101 16.293 6.287 -4.630 1.00 0.00 C ATOM 1567 O LYS A 101 16.867 7.353 -4.848 1.00 0.00 O ATOM 1568 CB LYS A 101 14.841 6.085 -6.732 1.00 0.00 C ATOM 1569 CG LYS A 101 13.977 4.955 -7.294 1.00 0.00 C ATOM 1570 CD LYS A 101 14.442 4.554 -8.695 1.00 0.00 C ATOM 1571 CE LYS A 101 14.193 3.067 -8.952 1.00 0.00 C ATOM 1572 NZ LYS A 101 13.335 2.883 -10.144 1.00 0.00 N ATOM 0 H LYS A 101 13.910 7.868 -5.088 1.00 0.00 H new ATOM 0 HA LYS A 101 14.633 5.001 -4.939 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.436 7.047 -7.046 1.00 0.00 H new ATOM 0 HB3 LYS A 101 15.849 6.014 -7.141 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.024 4.092 -6.630 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.935 5.273 -7.330 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.915 5.149 -9.441 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.504 4.773 -8.806 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.143 2.553 -9.098 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.717 2.616 -8.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.711 2.064 -9.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.758 3.736 -10.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.932 2.720 -10.980 1.00 0.00 H new ATOM 1585 N LYS A 102 16.797 5.297 -3.909 1.00 0.00 N ATOM 1586 CA LYS A 102 18.113 5.408 -3.302 1.00 0.00 C ATOM 1587 C LYS A 102 19.155 5.650 -4.395 1.00 0.00 C ATOM 1588 O LYS A 102 20.207 6.234 -4.137 1.00 0.00 O ATOM 1589 CB LYS A 102 18.407 4.183 -2.433 1.00 0.00 C ATOM 1590 CG LYS A 102 19.128 4.586 -1.145 1.00 0.00 C ATOM 1591 CD LYS A 102 20.569 4.074 -1.140 1.00 0.00 C ATOM 1592 CE LYS A 102 20.718 2.864 -0.215 1.00 0.00 C ATOM 1593 NZ LYS A 102 20.408 3.238 1.182 1.00 0.00 N ATOM 0 H LYS A 102 16.318 4.414 -3.731 1.00 0.00 H new ATOM 0 HA LYS A 102 18.151 6.265 -2.629 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.475 3.674 -2.188 1.00 0.00 H new ATOM 0 HB3 LYS A 102 19.020 3.475 -2.991 1.00 0.00 H new ATOM 0 HG2 LYS A 102 19.124 5.671 -1.046 1.00 0.00 H new ATOM 0 HG3 LYS A 102 18.593 4.185 -0.284 1.00 0.00 H new ATOM 0 HD2 LYS A 102 20.865 3.801 -2.153 1.00 0.00 H new ATOM 0 HD3 LYS A 102 21.240 4.869 -0.815 1.00 0.00 H new ATOM 0 HE2 LYS A 102 20.051 2.066 -0.540 1.00 0.00 H new ATOM 0 HE3 LYS A 102 21.734 2.475 -0.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 20.986 2.667 1.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 20.619 4.246 1.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 19.400 3.065 1.372 1.00 0.00 H new ATOM 1607 N VAL A 103 18.826 5.191 -5.594 1.00 0.00 N ATOM 1608 CA VAL A 103 19.721 5.351 -6.728 1.00 0.00 C ATOM 1609 C VAL A 103 18.896 5.454 -8.012 1.00 0.00 C ATOM 1610 O VAL A 103 18.262 4.485 -8.426 1.00 0.00 O ATOM 1611 CB VAL A 103 20.736 4.206 -6.759 1.00 0.00 C ATOM 1612 CG1 VAL A 103 20.510 3.242 -5.593 1.00 0.00 C ATOM 1613 CG2 VAL A 103 20.689 3.468 -8.098 1.00 0.00 C ATOM 0 H VAL A 103 17.952 4.708 -5.805 1.00 0.00 H new ATOM 0 HA VAL A 103 20.295 6.273 -6.635 1.00 0.00 H new ATOM 0 HB VAL A 103 21.731 4.637 -6.649 1.00 0.00 H new ATOM 0 HG11 VAL A 103 21.244 2.438 -5.638 1.00 0.00 H new ATOM 0 HG12 VAL A 103 20.618 3.779 -4.651 1.00 0.00 H new ATOM 0 HG13 VAL A 103 19.507 2.821 -5.658 1.00 0.00 H new ATOM 0 HG21 VAL A 103 21.420 2.659 -8.094 1.00 0.00 H new ATOM 0 HG22 VAL A 103 19.692 3.055 -8.251 1.00 0.00 H new ATOM 0 HG23 VAL A 103 20.922 4.163 -8.905 1.00 0.00 H new ATOM 1623 N GLU A 104 18.931 6.637 -8.607 1.00 0.00 N ATOM 1624 CA GLU A 104 18.195 6.880 -9.836 1.00 0.00 C ATOM 1625 C GLU A 104 18.794 6.064 -10.983 1.00 0.00 C ATOM 1626 O GLU A 104 19.826 5.416 -10.816 1.00 0.00 O ATOM 1627 CB GLU A 104 18.172 8.371 -10.177 1.00 0.00 C ATOM 1628 CG GLU A 104 17.660 9.196 -8.994 1.00 0.00 C ATOM 1629 CD GLU A 104 18.819 9.683 -8.122 1.00 0.00 C ATOM 1630 OE1 GLU A 104 19.618 10.493 -8.640 1.00 0.00 O ATOM 1631 OE2 GLU A 104 18.879 9.234 -6.957 1.00 0.00 O ATOM 0 H GLU A 104 19.458 7.439 -8.260 1.00 0.00 H new ATOM 0 HA GLU A 104 17.164 6.560 -9.688 1.00 0.00 H new ATOM 0 HB2 GLU A 104 19.175 8.701 -10.448 1.00 0.00 H new ATOM 0 HB3 GLU A 104 17.535 8.539 -11.045 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.092 10.051 -9.361 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.977 8.594 -8.394 1.00 0.00 H new ATOM 1638 N ASN A 105 18.121 6.122 -12.123 1.00 0.00 N ATOM 1639 CA ASN A 105 18.574 5.397 -13.298 1.00 0.00 C ATOM 1640 C ASN A 105 18.687 3.909 -12.961 1.00 0.00 C ATOM 1641 O ASN A 105 19.759 3.319 -13.090 1.00 0.00 O ATOM 1642 CB ASN A 105 19.952 5.886 -13.749 1.00 0.00 C ATOM 1643 CG ASN A 105 19.829 7.123 -14.641 1.00 0.00 C ATOM 1644 OD1 ASN A 105 18.755 7.502 -15.077 1.00 0.00 O ATOM 1645 ND2 ASN A 105 20.988 7.728 -14.888 1.00 0.00 N ATOM 0 H ASN A 105 17.265 6.660 -12.258 1.00 0.00 H new ATOM 0 HA ASN A 105 17.852 5.565 -14.097 1.00 0.00 H new ATOM 0 HB2 ASN A 105 20.562 6.121 -12.877 1.00 0.00 H new ATOM 0 HB3 ASN A 105 20.464 5.091 -14.291 1.00 0.00 H new ATOM 0 HD21 ASN A 105 21.013 8.562 -15.474 1.00 0.00 H new ATOM 0 HD22 ASN A 105 21.851 7.358 -14.491 1.00 0.00 H new ATOM 1652 N THR A 106 17.567 3.344 -12.535 1.00 0.00 N ATOM 1653 CA THR A 106 17.526 1.936 -12.178 1.00 0.00 C ATOM 1654 C THR A 106 16.155 1.342 -12.505 1.00 0.00 C ATOM 1655 O THR A 106 15.139 2.030 -12.413 1.00 0.00 O ATOM 1656 CB THR A 106 17.907 1.812 -10.702 1.00 0.00 C ATOM 1657 OG1 THR A 106 19.332 1.819 -10.708 1.00 0.00 O ATOM 1658 CG2 THR A 106 17.544 0.445 -10.117 1.00 0.00 C ATOM 0 H THR A 106 16.680 3.836 -12.429 1.00 0.00 H new ATOM 0 HA THR A 106 18.242 1.358 -12.763 1.00 0.00 H new ATOM 0 HB THR A 106 17.408 2.596 -10.132 1.00 0.00 H new ATOM 0 HG1 THR A 106 19.654 2.197 -11.553 1.00 0.00 H new ATOM 0 HG21 THR A 106 17.836 0.409 -9.067 1.00 0.00 H new ATOM 0 HG22 THR A 106 16.469 0.287 -10.201 1.00 0.00 H new ATOM 0 HG23 THR A 106 18.069 -0.337 -10.666 1.00 0.00 H new ATOM 1666 N ARG A 107 16.170 0.072 -12.879 1.00 0.00 N ATOM 1667 CA ARG A 107 14.940 -0.623 -13.220 1.00 0.00 C ATOM 1668 C ARG A 107 14.569 -1.617 -12.118 1.00 0.00 C ATOM 1669 O ARG A 107 15.445 -2.184 -11.468 1.00 0.00 O ATOM 1670 CB ARG A 107 15.079 -1.371 -14.547 1.00 0.00 C ATOM 1671 CG ARG A 107 13.770 -1.333 -15.339 1.00 0.00 C ATOM 1672 CD ARG A 107 13.845 -0.307 -16.471 1.00 0.00 C ATOM 1673 NE ARG A 107 12.819 0.741 -16.273 1.00 0.00 N ATOM 1674 CZ ARG A 107 12.578 1.731 -17.144 1.00 0.00 C ATOM 1675 NH1 ARG A 107 13.289 1.814 -18.277 1.00 0.00 N ATOM 1676 NH2 ARG A 107 11.627 2.638 -16.881 1.00 0.00 N ATOM 0 H ARG A 107 17.015 -0.495 -12.954 1.00 0.00 H new ATOM 0 HA ARG A 107 14.153 0.125 -13.319 1.00 0.00 H new ATOM 0 HB2 ARG A 107 15.879 -0.924 -15.138 1.00 0.00 H new ATOM 0 HB3 ARG A 107 15.363 -2.406 -14.357 1.00 0.00 H new ATOM 0 HG2 ARG A 107 13.561 -2.320 -15.751 1.00 0.00 H new ATOM 0 HG3 ARG A 107 12.944 -1.085 -14.672 1.00 0.00 H new ATOM 0 HD2 ARG A 107 14.837 0.144 -16.499 1.00 0.00 H new ATOM 0 HD3 ARG A 107 13.692 -0.800 -17.431 1.00 0.00 H new ATOM 0 HE ARG A 107 12.260 0.708 -15.420 1.00 0.00 H new ATOM 0 HH11 ARG A 107 14.013 1.124 -18.476 1.00 0.00 H new ATOM 0 HH12 ARG A 107 13.106 2.567 -18.940 1.00 0.00 H new ATOM 0 HH21 ARG A 107 11.087 2.575 -16.018 1.00 0.00 H new ATOM 0 HH22 ARG A 107 11.444 3.391 -17.544 1.00 0.00 H new ATOM 1690 N TRP A 108 13.268 -1.798 -11.942 1.00 0.00 N ATOM 1691 CA TRP A 108 12.770 -2.714 -10.930 1.00 0.00 C ATOM 1692 C TRP A 108 12.040 -3.854 -11.642 1.00 0.00 C ATOM 1693 O TRP A 108 10.890 -3.699 -12.052 1.00 0.00 O ATOM 1694 CB TRP A 108 11.891 -1.983 -9.913 1.00 0.00 C ATOM 1695 CG TRP A 108 12.675 -1.151 -8.897 1.00 0.00 C ATOM 1696 CD1 TRP A 108 13.831 -0.498 -9.081 1.00 0.00 C ATOM 1697 CD2 TRP A 108 12.311 -0.907 -7.522 1.00 0.00 C ATOM 1698 NE1 TRP A 108 14.237 0.146 -7.930 1.00 0.00 N ATOM 1699 CE2 TRP A 108 13.283 -0.110 -6.952 1.00 0.00 C ATOM 1700 CE3 TRP A 108 11.198 -1.345 -6.784 1.00 0.00 C ATOM 1701 CZ2 TRP A 108 13.240 0.317 -5.619 1.00 0.00 C ATOM 1702 CZ3 TRP A 108 11.169 -0.909 -5.454 1.00 0.00 C ATOM 1703 CH2 TRP A 108 12.140 -0.107 -4.865 1.00 0.00 C ATOM 0 H TRP A 108 12.544 -1.326 -12.483 1.00 0.00 H new ATOM 0 HA TRP A 108 13.593 -3.135 -10.353 1.00 0.00 H new ATOM 0 HB2 TRP A 108 11.201 -1.330 -10.447 1.00 0.00 H new ATOM 0 HB3 TRP A 108 11.286 -2.715 -9.378 1.00 0.00 H new ATOM 0 HD1 TRP A 108 14.376 -0.478 -10.013 1.00 0.00 H new ATOM 0 HE1 TRP A 108 15.082 0.707 -7.818 1.00 0.00 H new ATOM 0 HE3 TRP A 108 10.426 -1.969 -7.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 14.014 0.940 -5.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 10.334 -1.217 -4.843 1.00 0.00 H new ATOM 0 HH2 TRP A 108 12.046 0.187 -3.830 1.00 0.00 H new ATOM 1714 N ASP A 109 12.736 -4.974 -11.766 1.00 0.00 N ATOM 1715 CA ASP A 109 12.168 -6.140 -12.422 1.00 0.00 C ATOM 1716 C ASP A 109 11.013 -6.682 -11.577 1.00 0.00 C ATOM 1717 O ASP A 109 10.178 -7.437 -12.073 1.00 0.00 O ATOM 1718 CB ASP A 109 13.209 -7.251 -12.569 1.00 0.00 C ATOM 1719 CG ASP A 109 14.371 -6.928 -13.509 1.00 0.00 C ATOM 1720 OD1 ASP A 109 14.118 -6.208 -14.499 1.00 0.00 O ATOM 1721 OD2 ASP A 109 15.488 -7.407 -13.216 1.00 0.00 O ATOM 0 H ASP A 109 13.689 -5.099 -11.423 1.00 0.00 H new ATOM 0 HA ASP A 109 11.823 -5.837 -13.411 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.613 -7.483 -11.583 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.710 -8.151 -12.929 1.00 0.00 H new ATOM 1726 N TYR A 110 11.003 -6.276 -10.316 1.00 0.00 N ATOM 1727 CA TYR A 110 9.965 -6.712 -9.398 1.00 0.00 C ATOM 1728 C TYR A 110 9.907 -5.807 -8.166 1.00 0.00 C ATOM 1729 O TYR A 110 10.939 -5.490 -7.575 1.00 0.00 O ATOM 1730 CB TYR A 110 10.355 -8.125 -8.960 1.00 0.00 C ATOM 1731 CG TYR A 110 10.612 -9.088 -10.121 1.00 0.00 C ATOM 1732 CD1 TYR A 110 9.560 -9.765 -10.702 1.00 0.00 C ATOM 1733 CD2 TYR A 110 11.897 -9.278 -10.588 1.00 0.00 C ATOM 1734 CE1 TYR A 110 9.802 -10.671 -11.795 1.00 0.00 C ATOM 1735 CE2 TYR A 110 12.140 -10.184 -11.681 1.00 0.00 C ATOM 1736 CZ TYR A 110 11.080 -10.836 -12.230 1.00 0.00 C ATOM 1737 OH TYR A 110 11.309 -11.691 -13.263 1.00 0.00 O ATOM 0 H TYR A 110 11.697 -5.650 -9.908 1.00 0.00 H new ATOM 0 HA TYR A 110 8.988 -6.679 -9.880 1.00 0.00 H new ATOM 0 HB2 TYR A 110 11.252 -8.068 -8.343 1.00 0.00 H new ATOM 0 HB3 TYR A 110 9.562 -8.532 -8.333 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.555 -9.616 -10.337 1.00 0.00 H new ATOM 0 HD2 TYR A 110 12.720 -8.747 -10.134 1.00 0.00 H new ATOM 0 HE1 TYR A 110 8.987 -11.207 -12.259 1.00 0.00 H new ATOM 0 HE2 TYR A 110 13.140 -10.342 -12.056 1.00 0.00 H new ATOM 0 HH TYR A 110 12.267 -11.708 -13.467 1.00 0.00 H new ATOM 1747 N LEU A 111 8.691 -5.417 -7.814 1.00 0.00 N ATOM 1748 CA LEU A 111 8.485 -4.555 -6.663 1.00 0.00 C ATOM 1749 C LEU A 111 9.388 -5.016 -5.517 1.00 0.00 C ATOM 1750 O LEU A 111 10.048 -4.201 -4.875 1.00 0.00 O ATOM 1751 CB LEU A 111 7.002 -4.500 -6.292 1.00 0.00 C ATOM 1752 CG LEU A 111 6.497 -3.165 -5.739 1.00 0.00 C ATOM 1753 CD1 LEU A 111 5.068 -3.297 -5.208 1.00 0.00 C ATOM 1754 CD2 LEU A 111 7.454 -2.614 -4.680 1.00 0.00 C ATOM 0 H LEU A 111 7.838 -5.682 -8.306 1.00 0.00 H new ATOM 0 HA LEU A 111 8.769 -3.530 -6.901 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.417 -4.748 -7.178 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.804 -5.275 -5.552 1.00 0.00 H new ATOM 0 HG LEU A 111 6.471 -2.444 -6.556 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.733 -2.335 -4.821 1.00 0.00 H new ATOM 0 HD12 LEU A 111 4.408 -3.613 -6.016 1.00 0.00 H new ATOM 0 HD13 LEU A 111 5.044 -4.038 -4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 111 7.072 -1.665 -4.303 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.535 -3.325 -3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.437 -2.459 -5.124 1.00 0.00 H new ATOM 1766 N THR A 112 9.389 -6.323 -5.296 1.00 0.00 N ATOM 1767 CA THR A 112 10.200 -6.903 -4.239 1.00 0.00 C ATOM 1768 C THR A 112 11.141 -7.965 -4.811 1.00 0.00 C ATOM 1769 O THR A 112 11.021 -8.343 -5.976 1.00 0.00 O ATOM 1770 CB THR A 112 9.257 -7.442 -3.162 1.00 0.00 C ATOM 1771 OG1 THR A 112 8.313 -8.225 -3.887 1.00 0.00 O ATOM 1772 CG2 THR A 112 8.412 -6.341 -2.518 1.00 0.00 C ATOM 0 H THR A 112 8.841 -6.996 -5.831 1.00 0.00 H new ATOM 0 HA THR A 112 10.847 -6.155 -3.780 1.00 0.00 H new ATOM 0 HB THR A 112 9.838 -7.950 -2.392 1.00 0.00 H new ATOM 0 HG1 THR A 112 7.664 -8.614 -3.264 1.00 0.00 H new ATOM 0 HG21 THR A 112 7.761 -6.778 -1.761 1.00 0.00 H new ATOM 0 HG22 THR A 112 9.067 -5.605 -2.052 1.00 0.00 H new ATOM 0 HG23 THR A 112 7.805 -5.854 -3.282 1.00 0.00 H new ATOM 1780 N GLN A 113 12.055 -8.417 -3.966 1.00 0.00 N ATOM 1781 CA GLN A 113 13.016 -9.428 -4.372 1.00 0.00 C ATOM 1782 C GLN A 113 12.349 -10.804 -4.423 1.00 0.00 C ATOM 1783 O GLN A 113 12.607 -11.591 -5.332 1.00 0.00 O ATOM 1784 CB GLN A 113 14.228 -9.440 -3.439 1.00 0.00 C ATOM 1785 CG GLN A 113 15.105 -8.207 -3.664 1.00 0.00 C ATOM 1786 CD GLN A 113 16.574 -8.518 -3.366 1.00 0.00 C ATOM 1787 OE1 GLN A 113 17.375 -8.764 -4.253 1.00 0.00 O ATOM 1788 NE2 GLN A 113 16.881 -8.492 -2.072 1.00 0.00 N ATOM 0 H GLN A 113 12.151 -8.101 -3.001 1.00 0.00 H new ATOM 0 HA GLN A 113 13.372 -9.181 -5.372 1.00 0.00 H new ATOM 0 HB2 GLN A 113 13.893 -9.468 -2.402 1.00 0.00 H new ATOM 0 HB3 GLN A 113 14.814 -10.343 -3.609 1.00 0.00 H new ATOM 0 HG2 GLN A 113 15.003 -7.867 -4.695 1.00 0.00 H new ATOM 0 HG3 GLN A 113 14.765 -7.393 -3.024 1.00 0.00 H new ATOM 0 HE21 GLN A 113 16.161 -8.279 -1.381 1.00 0.00 H new ATOM 0 HE22 GLN A 113 17.836 -8.685 -1.770 1.00 0.00 H new ATOM 1797 N VAL A 114 11.503 -11.053 -3.433 1.00 0.00 N ATOM 1798 CA VAL A 114 10.797 -12.320 -3.353 1.00 0.00 C ATOM 1799 C VAL A 114 10.357 -12.744 -4.756 1.00 0.00 C ATOM 1800 O VAL A 114 10.800 -13.773 -5.265 1.00 0.00 O ATOM 1801 CB VAL A 114 9.630 -12.208 -2.370 1.00 0.00 C ATOM 1802 CG1 VAL A 114 8.662 -13.382 -2.531 1.00 0.00 C ATOM 1803 CG2 VAL A 114 10.135 -12.108 -0.929 1.00 0.00 C ATOM 0 H VAL A 114 11.291 -10.398 -2.680 1.00 0.00 H new ATOM 0 HA VAL A 114 11.455 -13.099 -2.969 1.00 0.00 H new ATOM 0 HB VAL A 114 9.086 -11.292 -2.599 1.00 0.00 H new ATOM 0 HG11 VAL A 114 7.842 -13.278 -1.820 1.00 0.00 H new ATOM 0 HG12 VAL A 114 8.264 -13.389 -3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 114 9.189 -14.317 -2.342 1.00 0.00 H new ATOM 0 HG21 VAL A 114 9.286 -12.029 -0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.714 -12.998 -0.684 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.765 -11.225 -0.825 1.00 0.00 H new ATOM 1813 N GLU A 115 9.492 -11.930 -5.342 1.00 0.00 N ATOM 1814 CA GLU A 115 8.987 -12.207 -6.676 1.00 0.00 C ATOM 1815 C GLU A 115 10.139 -12.582 -7.611 1.00 0.00 C ATOM 1816 O GLU A 115 10.083 -13.607 -8.290 1.00 0.00 O ATOM 1817 CB GLU A 115 8.202 -11.014 -7.224 1.00 0.00 C ATOM 1818 CG GLU A 115 7.259 -11.448 -8.348 1.00 0.00 C ATOM 1819 CD GLU A 115 6.511 -10.247 -8.930 1.00 0.00 C ATOM 1820 OE1 GLU A 115 6.188 -9.339 -8.135 1.00 0.00 O ATOM 1821 OE2 GLU A 115 6.278 -10.265 -10.159 1.00 0.00 O ATOM 0 H GLU A 115 9.127 -11.077 -4.917 1.00 0.00 H new ATOM 0 HA GLU A 115 8.302 -13.053 -6.616 1.00 0.00 H new ATOM 0 HB2 GLU A 115 7.628 -10.552 -6.421 1.00 0.00 H new ATOM 0 HB3 GLU A 115 8.894 -10.259 -7.596 1.00 0.00 H new ATOM 0 HG2 GLU A 115 7.829 -11.942 -9.135 1.00 0.00 H new ATOM 0 HG3 GLU A 115 6.544 -12.177 -7.966 1.00 0.00 H new ATOM 1828 N LYS A 116 11.155 -11.733 -7.617 1.00 0.00 N ATOM 1829 CA LYS A 116 12.318 -11.963 -8.457 1.00 0.00 C ATOM 1830 C LYS A 116 12.850 -13.376 -8.210 1.00 0.00 C ATOM 1831 O LYS A 116 12.742 -14.244 -9.075 1.00 0.00 O ATOM 1832 CB LYS A 116 13.362 -10.866 -8.239 1.00 0.00 C ATOM 1833 CG LYS A 116 14.620 -11.133 -9.069 1.00 0.00 C ATOM 1834 CD LYS A 116 15.687 -10.068 -8.805 1.00 0.00 C ATOM 1835 CE LYS A 116 17.009 -10.710 -8.383 1.00 0.00 C ATOM 1836 NZ LYS A 116 17.612 -9.963 -7.257 1.00 0.00 N ATOM 0 H LYS A 116 11.197 -10.884 -7.053 1.00 0.00 H new ATOM 0 HA LYS A 116 12.044 -11.905 -9.510 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.941 -9.899 -8.512 1.00 0.00 H new ATOM 0 HB3 LYS A 116 13.624 -10.813 -7.182 1.00 0.00 H new ATOM 0 HG2 LYS A 116 15.017 -12.119 -8.827 1.00 0.00 H new ATOM 0 HG3 LYS A 116 14.366 -11.143 -10.129 1.00 0.00 H new ATOM 0 HD2 LYS A 116 15.839 -9.470 -9.704 1.00 0.00 H new ATOM 0 HD3 LYS A 116 15.343 -9.389 -8.025 1.00 0.00 H new ATOM 0 HE2 LYS A 116 16.840 -11.746 -8.090 1.00 0.00 H new ATOM 0 HE3 LYS A 116 17.698 -10.726 -9.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 18.509 -10.412 -6.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 17.792 -8.981 -7.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 16.960 -9.970 -6.447 1.00 0.00 H new ATOM 1850 N GLU A 117 13.412 -13.563 -7.025 1.00 0.00 N ATOM 1851 CA GLU A 117 13.960 -14.856 -6.653 1.00 0.00 C ATOM 1852 C GLU A 117 13.071 -15.982 -7.182 1.00 0.00 C ATOM 1853 O GLU A 117 13.507 -16.791 -8.000 1.00 0.00 O ATOM 1854 CB GLU A 117 14.135 -14.962 -5.136 1.00 0.00 C ATOM 1855 CG GLU A 117 15.431 -14.286 -4.685 1.00 0.00 C ATOM 1856 CD GLU A 117 16.652 -15.114 -5.092 1.00 0.00 C ATOM 1857 OE1 GLU A 117 17.128 -14.902 -6.228 1.00 0.00 O ATOM 1858 OE2 GLU A 117 17.081 -15.940 -4.258 1.00 0.00 O ATOM 0 H GLU A 117 13.500 -12.841 -6.310 1.00 0.00 H new ATOM 0 HA GLU A 117 14.946 -14.955 -7.107 1.00 0.00 H new ATOM 0 HB2 GLU A 117 13.285 -14.498 -4.635 1.00 0.00 H new ATOM 0 HB3 GLU A 117 14.146 -16.011 -4.840 1.00 0.00 H new ATOM 0 HG2 GLU A 117 15.499 -13.291 -5.125 1.00 0.00 H new ATOM 0 HG3 GLU A 117 15.420 -14.156 -3.603 1.00 0.00 H new ATOM 1865 N CYS A 118 11.839 -15.999 -6.694 1.00 0.00 N ATOM 1866 CA CYS A 118 10.884 -17.013 -7.108 1.00 0.00 C ATOM 1867 C CYS A 118 10.845 -17.041 -8.638 1.00 0.00 C ATOM 1868 O CYS A 118 11.116 -18.072 -9.250 1.00 0.00 O ATOM 1869 CB CYS A 118 9.499 -16.765 -6.507 1.00 0.00 C ATOM 1870 SG CYS A 118 8.968 -18.223 -5.536 1.00 0.00 S ATOM 0 H CYS A 118 11.480 -15.327 -6.016 1.00 0.00 H new ATOM 0 HA CYS A 118 11.201 -17.987 -6.735 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.523 -15.882 -5.869 1.00 0.00 H new ATOM 0 HB3 CYS A 118 8.779 -16.565 -7.301 1.00 0.00 H new ATOM 0 HG CYS A 118 7.792 -18.001 -5.028 1.00 0.00 H new ATOM 1876 N LYS A 119 10.506 -15.895 -9.210 1.00 0.00 N ATOM 1877 CA LYS A 119 10.428 -15.775 -10.656 1.00 0.00 C ATOM 1878 C LYS A 119 11.651 -16.445 -11.285 1.00 0.00 C ATOM 1879 O LYS A 119 11.513 -17.351 -12.105 1.00 0.00 O ATOM 1880 CB LYS A 119 10.251 -14.311 -11.063 1.00 0.00 C ATOM 1881 CG LYS A 119 8.835 -13.822 -10.750 1.00 0.00 C ATOM 1882 CD LYS A 119 7.839 -14.322 -11.797 1.00 0.00 C ATOM 1883 CE LYS A 119 7.150 -15.605 -11.330 1.00 0.00 C ATOM 1884 NZ LYS A 119 7.356 -16.692 -12.313 1.00 0.00 N ATOM 0 H LYS A 119 10.282 -15.041 -8.698 1.00 0.00 H new ATOM 0 HA LYS A 119 9.549 -16.295 -11.035 1.00 0.00 H new ATOM 0 HB2 LYS A 119 10.978 -13.693 -10.536 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.451 -14.199 -12.129 1.00 0.00 H new ATOM 0 HG2 LYS A 119 8.536 -14.172 -9.762 1.00 0.00 H new ATOM 0 HG3 LYS A 119 8.821 -12.732 -10.720 1.00 0.00 H new ATOM 0 HD2 LYS A 119 7.091 -13.553 -11.989 1.00 0.00 H new ATOM 0 HD3 LYS A 119 8.357 -14.505 -12.738 1.00 0.00 H new ATOM 0 HE2 LYS A 119 7.546 -15.905 -10.360 1.00 0.00 H new ATOM 0 HE3 LYS A 119 6.083 -15.424 -11.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 7.276 -17.612 -11.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 6.635 -16.626 -13.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 8.302 -16.603 -12.736 1.00 0.00 H new ATOM 1898 N GLU A 120 12.820 -15.973 -10.878 1.00 0.00 N ATOM 1899 CA GLU A 120 14.066 -16.515 -11.392 1.00 0.00 C ATOM 1900 C GLU A 120 14.593 -17.609 -10.461 1.00 0.00 C ATOM 1901 O GLU A 120 15.431 -17.345 -9.600 1.00 0.00 O ATOM 1902 CB GLU A 120 15.107 -15.410 -11.584 1.00 0.00 C ATOM 1903 CG GLU A 120 14.756 -14.529 -12.785 1.00 0.00 C ATOM 1904 CD GLU A 120 15.323 -15.117 -14.080 1.00 0.00 C ATOM 1905 OE1 GLU A 120 16.518 -15.483 -14.061 1.00 0.00 O ATOM 1906 OE2 GLU A 120 14.548 -15.187 -15.058 1.00 0.00 O ATOM 0 H GLU A 120 12.931 -15.221 -10.198 1.00 0.00 H new ATOM 0 HA GLU A 120 13.871 -16.959 -12.368 1.00 0.00 H new ATOM 0 HB2 GLU A 120 15.163 -14.798 -10.684 1.00 0.00 H new ATOM 0 HB3 GLU A 120 16.092 -15.854 -11.730 1.00 0.00 H new ATOM 0 HG2 GLU A 120 13.673 -14.435 -12.868 1.00 0.00 H new ATOM 0 HG3 GLU A 120 15.153 -13.525 -12.633 1.00 0.00 H new ATOM 1913 N LYS A 121 14.080 -18.813 -10.666 1.00 0.00 N ATOM 1914 CA LYS A 121 14.489 -19.948 -9.856 1.00 0.00 C ATOM 1915 C LYS A 121 15.744 -20.578 -10.464 1.00 0.00 C ATOM 1916 O LYS A 121 16.813 -20.551 -9.856 1.00 0.00 O ATOM 1917 CB LYS A 121 13.328 -20.930 -9.686 1.00 0.00 C ATOM 1918 CG LYS A 121 13.302 -21.508 -8.269 1.00 0.00 C ATOM 1919 CD LYS A 121 14.055 -22.838 -8.205 1.00 0.00 C ATOM 1920 CE LYS A 121 13.093 -24.020 -8.330 1.00 0.00 C ATOM 1921 NZ LYS A 121 13.759 -25.277 -7.922 1.00 0.00 N ATOM 0 H LYS A 121 13.385 -19.027 -11.381 1.00 0.00 H new ATOM 0 HA LYS A 121 14.752 -19.623 -8.849 1.00 0.00 H new ATOM 0 HB2 LYS A 121 12.385 -20.424 -9.893 1.00 0.00 H new ATOM 0 HB3 LYS A 121 13.422 -21.739 -10.411 1.00 0.00 H new ATOM 0 HG2 LYS A 121 13.751 -20.798 -7.575 1.00 0.00 H new ATOM 0 HG3 LYS A 121 12.270 -21.655 -7.951 1.00 0.00 H new ATOM 0 HD2 LYS A 121 14.794 -22.880 -9.005 1.00 0.00 H new ATOM 0 HD3 LYS A 121 14.600 -22.906 -7.264 1.00 0.00 H new ATOM 0 HE2 LYS A 121 12.215 -23.849 -7.708 1.00 0.00 H new ATOM 0 HE3 LYS A 121 12.743 -24.104 -9.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 13.091 -26.069 -8.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 14.583 -25.447 -8.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 14.071 -25.199 -6.933 1.00 0.00 H new ATOM 1935 N SER A 122 15.572 -21.129 -11.656 1.00 0.00 N ATOM 1936 CA SER A 122 16.678 -21.765 -12.353 1.00 0.00 C ATOM 1937 C SER A 122 17.389 -20.745 -13.245 1.00 0.00 C ATOM 1938 O SER A 122 17.079 -20.627 -14.429 1.00 0.00 O ATOM 1939 CB SER A 122 16.193 -22.952 -13.187 1.00 0.00 C ATOM 1940 OG SER A 122 15.157 -22.582 -14.093 1.00 0.00 O ATOM 0 H SER A 122 14.684 -21.149 -12.157 1.00 0.00 H new ATOM 0 HA SER A 122 17.381 -22.141 -11.609 1.00 0.00 H new ATOM 0 HB2 SER A 122 17.031 -23.369 -13.746 1.00 0.00 H new ATOM 0 HB3 SER A 122 15.831 -23.737 -12.523 1.00 0.00 H new ATOM 0 HG SER A 122 15.375 -21.720 -14.505 1.00 0.00 H new ATOM 1946 N GLY A 123 18.331 -20.034 -12.642 1.00 0.00 N ATOM 1947 CA GLY A 123 19.089 -19.029 -13.366 1.00 0.00 C ATOM 1948 C GLY A 123 20.528 -18.951 -12.852 1.00 0.00 C ATOM 1949 O GLY A 123 20.957 -19.795 -12.067 1.00 0.00 O ATOM 0 H GLY A 123 18.586 -20.135 -11.660 1.00 0.00 H new ATOM 0 HA2 GLY A 123 19.092 -19.267 -14.430 1.00 0.00 H new ATOM 0 HA3 GLY A 123 18.607 -18.057 -13.258 1.00 0.00 H new ATOM 1953 N PRO A 124 21.253 -17.904 -13.329 1.00 0.00 N ATOM 1954 CA PRO A 124 22.635 -17.705 -12.926 1.00 0.00 C ATOM 1955 C PRO A 124 22.716 -17.158 -11.500 1.00 0.00 C ATOM 1956 O PRO A 124 23.188 -16.042 -11.285 1.00 0.00 O ATOM 1957 CB PRO A 124 23.213 -16.754 -13.961 1.00 0.00 C ATOM 1958 CG PRO A 124 22.020 -16.092 -14.632 1.00 0.00 C ATOM 1959 CD PRO A 124 20.778 -16.884 -14.260 1.00 0.00 C ATOM 0 HA PRO A 124 23.204 -18.635 -12.897 1.00 0.00 H new ATOM 0 HB2 PRO A 124 23.859 -16.012 -13.492 1.00 0.00 H new ATOM 0 HB3 PRO A 124 23.822 -17.291 -14.688 1.00 0.00 H new ATOM 0 HG2 PRO A 124 21.924 -15.056 -14.306 1.00 0.00 H new ATOM 0 HG3 PRO A 124 22.152 -16.074 -15.714 1.00 0.00 H new ATOM 0 HD2 PRO A 124 20.025 -16.246 -13.798 1.00 0.00 H new ATOM 0 HD3 PRO A 124 20.317 -17.334 -15.139 1.00 0.00 H new ATOM 1967 N SER A 125 22.251 -17.969 -10.561 1.00 0.00 N ATOM 1968 CA SER A 125 22.265 -17.580 -9.161 1.00 0.00 C ATOM 1969 C SER A 125 23.708 -17.431 -8.675 1.00 0.00 C ATOM 1970 O SER A 125 24.107 -16.358 -8.224 1.00 0.00 O ATOM 1971 CB SER A 125 21.517 -18.598 -8.299 1.00 0.00 C ATOM 1972 OG SER A 125 21.015 -18.015 -7.099 1.00 0.00 O ATOM 0 H SER A 125 21.862 -18.894 -10.742 1.00 0.00 H new ATOM 0 HA SER A 125 21.755 -16.621 -9.067 1.00 0.00 H new ATOM 0 HB2 SER A 125 20.690 -19.019 -8.871 1.00 0.00 H new ATOM 0 HB3 SER A 125 22.185 -19.422 -8.050 1.00 0.00 H new ATOM 0 HG SER A 125 20.542 -18.697 -6.577 1.00 0.00 H new ATOM 1978 N SER A 126 24.451 -18.523 -8.782 1.00 0.00 N ATOM 1979 CA SER A 126 25.841 -18.527 -8.359 1.00 0.00 C ATOM 1980 C SER A 126 26.696 -17.749 -9.361 1.00 0.00 C ATOM 1981 O SER A 126 26.501 -17.865 -10.570 1.00 0.00 O ATOM 1982 CB SER A 126 26.367 -19.956 -8.209 1.00 0.00 C ATOM 1983 OG SER A 126 25.590 -20.717 -7.289 1.00 0.00 O ATOM 0 H SER A 126 24.116 -19.411 -9.156 1.00 0.00 H new ATOM 0 HA SER A 126 25.903 -18.042 -7.385 1.00 0.00 H new ATOM 0 HB2 SER A 126 26.362 -20.448 -9.182 1.00 0.00 H new ATOM 0 HB3 SER A 126 27.403 -19.927 -7.872 1.00 0.00 H new ATOM 0 HG SER A 126 25.957 -21.623 -7.222 1.00 0.00 H new ATOM 1989 N GLY A 127 27.624 -16.973 -8.822 1.00 0.00 N ATOM 1990 CA GLY A 127 28.510 -16.176 -9.654 1.00 0.00 C ATOM 1991 C GLY A 127 27.737 -15.069 -10.374 1.00 0.00 C ATOM 1992 O GLY A 127 28.330 -14.237 -11.058 1.00 0.00 O ATOM 0 H GLY A 127 27.782 -16.879 -7.819 1.00 0.00 H new ATOM 0 HA2 GLY A 127 29.294 -15.736 -9.038 1.00 0.00 H new ATOM 0 HA3 GLY A 127 29.001 -16.817 -10.386 1.00 0.00 H new TER 1996 GLY A 127