USER MOD reduce.3.24.130724 H: found=0, std=0, add=1155, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 841 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 THR OG1 : rot 102:sc= 0.573 USER MOD Set 1.2: A 52 THR OG1 : rot -163:sc= -1.07 USER MOD Set 2.1: A 25 THR OG1 : rot -63:sc= 0.493 USER MOD Set 2.2: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 26 ASN :FLIP amide:sc= -3.59! C(o=-9.5!,f=-6.4!) USER MOD Set 3.2: A 162 GLN : amide:sc= -2.82! C(o=-6.4!,f=-13!) USER MOD Set 4.1: A 17 THR OG1 : rot -130:sc= -0.0882 USER MOD Set 4.2: A 18 CYS SG : rot 110:sc= -1.36 USER MOD Set 4.3: A 116 GLN : amide:sc= -0.249 X(o=-1.7,f=-2) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 5 LYS NZ :NH3+ -178:sc= 0.208 (180deg=0.206) USER MOD Single : A 6 CYS SG : rot 29:sc= 0.479 USER MOD Single : A 16 LYS NZ :NH3+ -167:sc= 0.0427 (180deg=0.0255) USER MOD Single : A 22 SER OG : rot 120:sc= -2.09 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 142:sc= 0.341 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -1.43! USER MOD Single : A 39 ASN : amide:sc= -0.0753 K(o=-0.075,f=-1.2) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 82:sc= -2.13 USER MOD Single : A 74 GLN : amide:sc= -0.741 K(o=-0.74,f=-4.1!) USER MOD Single : A 75 THR OG1 : rot 59:sc= 0.372 USER MOD Single : A 81 CYS SG : rot 170:sc= -5.42! USER MOD Single : A 83 SER OG : rot 180:sc= -0.0292 USER MOD Single : A 86 SER OG : rot 180:sc= -0.941 USER MOD Single : A 88 SER OG : rot 14:sc= 0.515! USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.99 K(o=-0.99,f=-1.6) USER MOD Single : A 94 LYS NZ :NH3+ 164:sc= -2.32! (180deg=-2.85!) USER MOD Single : A 96 LYS NZ :NH3+ 162:sc= -0.183 (180deg=-0.852) USER MOD Single : A 102 THR OG1 : rot 102:sc= 0.421 USER MOD Single : A 103 HIS : no HD1:sc= -4.33! C(o=-4.3!,f=-7.4!) USER MOD Single : A 104 HIS : no HD1:sc= -0.0125 X(o=-0.012,f=-0.41) USER MOD Single : A 105 CYS SG : rot -43:sc= -2.35 USER MOD Single : A 107 LYS NZ :NH3+ 145:sc= -0.23 (180deg=-1.13) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot -117:sc= -1.17 USER MOD Single : A 138 THR OG1 : rot 139:sc= -1.46 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 LYS NZ :NH3+ -151:sc= -0.128 (180deg=-0.722) USER MOD Single : A 153 LYS NZ :NH3+ -105:sc= -2.66 (180deg=-4.67!) USER MOD Single : A 154 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 CYS SG : rot 48:sc= -5.01! USER MOD Single : A 158 SER OG : rot 80:sc= -1.77 USER MOD Single : A 161 THR OG1 : rot -90:sc= -0.764 USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 ASN :FLIP amide:sc= -0.26 F(o=-2.9!,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 123.791 -2.090 13.233 1.00 0.00 N ATOM 21 CA GLN A 2 124.054 -3.204 12.328 1.00 0.00 C ATOM 22 C GLN A 2 124.676 -2.706 11.028 1.00 0.00 C ATOM 23 O GLN A 2 125.748 -2.106 11.028 1.00 0.00 O ATOM 24 CB GLN A 2 122.750 -3.941 12.020 1.00 0.00 C ATOM 25 CG GLN A 2 122.205 -4.576 13.301 1.00 0.00 C ATOM 26 CD GLN A 2 120.870 -5.257 13.016 1.00 0.00 C ATOM 27 OE1 GLN A 2 120.242 -4.986 11.993 1.00 0.00 O ATOM 28 NE2 GLN A 2 120.398 -6.129 13.863 1.00 0.00 N ATOM 0 HA GLN A 2 124.753 -3.885 12.813 1.00 0.00 H new ATOM 0 HB2 GLN A 2 122.018 -3.248 11.606 1.00 0.00 H new ATOM 0 HB3 GLN A 2 122.924 -4.709 11.267 1.00 0.00 H new ATOM 0 HG2 GLN A 2 122.918 -5.303 13.689 1.00 0.00 H new ATOM 0 HG3 GLN A 2 122.077 -3.813 14.069 1.00 0.00 H new ATOM 0 HE21 GLN A 2 120.921 -6.352 14.710 1.00 0.00 H new ATOM 0 HE22 GLN A 2 119.506 -6.588 13.678 1.00 0.00 H new ATOM 35 N THR A 3 123.998 -2.959 9.917 1.00 0.00 N ATOM 36 CA THR A 3 124.500 -2.532 8.619 1.00 0.00 C ATOM 37 C THR A 3 125.089 -1.131 8.717 1.00 0.00 C ATOM 38 O THR A 3 124.376 -0.168 9.004 1.00 0.00 O ATOM 39 CB THR A 3 123.363 -2.543 7.594 1.00 0.00 C ATOM 40 OG1 THR A 3 123.750 -1.796 6.450 1.00 0.00 O ATOM 41 CG2 THR A 3 122.111 -1.920 8.214 1.00 0.00 C ATOM 0 H THR A 3 123.106 -3.454 9.888 1.00 0.00 H new ATOM 0 HA THR A 3 125.281 -3.222 8.300 1.00 0.00 H new ATOM 0 HB THR A 3 123.148 -3.570 7.300 1.00 0.00 H new ATOM 0 HG1 THR A 3 124.007 -2.409 5.730 1.00 0.00 H new ATOM 0 HG21 THR A 3 121.301 -1.928 7.484 1.00 0.00 H new ATOM 0 HG22 THR A 3 121.815 -2.495 9.091 1.00 0.00 H new ATOM 0 HG23 THR A 3 122.324 -0.892 8.509 1.00 0.00 H new ATOM 46 N ILE A 4 126.393 -1.021 8.486 1.00 0.00 N ATOM 47 CA ILE A 4 127.059 0.274 8.563 1.00 0.00 C ATOM 48 C ILE A 4 127.762 0.605 7.250 1.00 0.00 C ATOM 49 O ILE A 4 128.257 -0.284 6.557 1.00 0.00 O ATOM 50 CB ILE A 4 128.072 0.270 9.706 1.00 0.00 C ATOM 51 CG1 ILE A 4 128.589 1.694 9.932 1.00 0.00 C ATOM 52 CG2 ILE A 4 129.242 -0.646 9.343 1.00 0.00 C ATOM 53 CD1 ILE A 4 129.251 1.789 11.308 1.00 0.00 C ATOM 0 H ILE A 4 127.003 -1.802 8.247 1.00 0.00 H new ATOM 0 HA ILE A 4 126.303 1.037 8.750 1.00 0.00 H new ATOM 0 HB ILE A 4 127.595 -0.092 10.617 1.00 0.00 H new ATOM 0 HG12 ILE A 4 129.305 1.959 9.154 1.00 0.00 H new ATOM 0 HG13 ILE A 4 127.766 2.405 9.864 1.00 0.00 H new ATOM 0 HG21 ILE A 4 129.967 -0.651 10.157 1.00 0.00 H new ATOM 0 HG22 ILE A 4 128.874 -1.659 9.179 1.00 0.00 H new ATOM 0 HG23 ILE A 4 129.720 -0.282 8.434 1.00 0.00 H new ATOM 0 HD11 ILE A 4 129.618 2.803 11.466 1.00 0.00 H new ATOM 0 HD12 ILE A 4 128.522 1.542 12.080 1.00 0.00 H new ATOM 0 HD13 ILE A 4 130.085 1.089 11.360 1.00 0.00 H new ATOM 57 N LYS A 5 127.794 1.891 6.913 1.00 0.00 N ATOM 58 CA LYS A 5 128.430 2.334 5.678 1.00 0.00 C ATOM 59 C LYS A 5 129.781 2.982 5.965 1.00 0.00 C ATOM 60 O LYS A 5 130.077 3.353 7.102 1.00 0.00 O ATOM 61 CB LYS A 5 127.528 3.334 4.955 1.00 0.00 C ATOM 62 CG LYS A 5 126.235 2.639 4.520 1.00 0.00 C ATOM 63 CD LYS A 5 125.373 3.620 3.722 1.00 0.00 C ATOM 64 CE LYS A 5 124.029 2.968 3.387 1.00 0.00 C ATOM 65 NZ LYS A 5 124.049 2.487 1.977 1.00 0.00 N ATOM 0 H LYS A 5 127.389 2.640 7.475 1.00 0.00 H new ATOM 0 HA LYS A 5 128.589 1.461 5.045 1.00 0.00 H new ATOM 0 HB2 LYS A 5 127.298 4.173 5.612 1.00 0.00 H new ATOM 0 HB3 LYS A 5 128.044 3.742 4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 5 126.466 1.764 3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 5 125.688 2.285 5.394 1.00 0.00 H new ATOM 0 HD2 LYS A 5 125.213 4.531 4.298 1.00 0.00 H new ATOM 0 HD3 LYS A 5 125.887 3.909 2.805 1.00 0.00 H new ATOM 0 HE2 LYS A 5 123.838 2.135 4.064 1.00 0.00 H new ATOM 0 HE3 LYS A 5 123.220 3.685 3.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 123.125 2.074 1.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 124.247 3.285 1.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 124.789 1.765 1.867 1.00 0.00 H new ATOM 79 N CYS A 6 130.597 3.110 4.925 1.00 0.00 N ATOM 80 CA CYS A 6 131.916 3.714 5.071 1.00 0.00 C ATOM 81 C CYS A 6 132.274 4.524 3.828 1.00 0.00 C ATOM 82 O CYS A 6 132.053 4.075 2.703 1.00 0.00 O ATOM 83 CB CYS A 6 132.961 2.618 5.286 1.00 0.00 C ATOM 84 SG CYS A 6 132.335 1.053 4.625 1.00 0.00 S ATOM 0 H CYS A 6 130.371 2.806 3.978 1.00 0.00 H new ATOM 0 HA CYS A 6 131.901 4.382 5.932 1.00 0.00 H new ATOM 0 HB2 CYS A 6 133.894 2.887 4.791 1.00 0.00 H new ATOM 0 HB3 CYS A 6 133.182 2.514 6.348 1.00 0.00 H new ATOM 0 HG CYS A 6 131.518 1.293 3.643 1.00 0.00 H new ATOM 90 N VAL A 7 132.839 5.711 4.033 1.00 0.00 N ATOM 91 CA VAL A 7 133.232 6.556 2.908 1.00 0.00 C ATOM 92 C VAL A 7 134.532 6.033 2.308 1.00 0.00 C ATOM 93 O VAL A 7 135.486 5.769 3.042 1.00 0.00 O ATOM 94 CB VAL A 7 133.435 7.999 3.374 1.00 0.00 C ATOM 95 CG1 VAL A 7 133.800 8.874 2.174 1.00 0.00 C ATOM 96 CG2 VAL A 7 132.142 8.520 4.002 1.00 0.00 C ATOM 0 H VAL A 7 133.033 6.106 4.953 1.00 0.00 H new ATOM 0 HA VAL A 7 132.442 6.532 2.157 1.00 0.00 H new ATOM 0 HB VAL A 7 134.238 8.032 4.110 1.00 0.00 H new ATOM 0 HG11 VAL A 7 133.945 9.903 2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 7 134.720 8.505 1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 7 132.995 8.839 1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 7 132.287 9.548 4.334 1.00 0.00 H new ATOM 0 HG22 VAL A 7 131.340 8.487 3.264 1.00 0.00 H new ATOM 0 HG23 VAL A 7 131.876 7.897 4.856 1.00 0.00 H new ATOM 100 N VAL A 8 134.581 5.874 0.982 1.00 0.00 N ATOM 101 CA VAL A 8 135.793 5.373 0.352 1.00 0.00 C ATOM 102 C VAL A 8 136.373 6.407 -0.602 1.00 0.00 C ATOM 103 O VAL A 8 135.690 6.896 -1.501 1.00 0.00 O ATOM 104 CB VAL A 8 135.485 4.078 -0.397 1.00 0.00 C ATOM 105 CG1 VAL A 8 136.763 3.546 -1.048 1.00 0.00 C ATOM 106 CG2 VAL A 8 134.947 3.038 0.587 1.00 0.00 C ATOM 0 H VAL A 8 133.813 6.081 0.343 1.00 0.00 H new ATOM 0 HA VAL A 8 136.533 5.174 1.127 1.00 0.00 H new ATOM 0 HB VAL A 8 134.739 4.274 -1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 8 136.542 2.622 -1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 8 137.150 4.286 -1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 8 137.509 3.350 -0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 8 134.727 2.113 0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 8 135.694 2.844 1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 8 134.036 3.415 1.052 1.00 0.00 H new ATOM 110 N VAL A 9 137.643 6.728 -0.397 1.00 0.00 N ATOM 111 CA VAL A 9 138.325 7.698 -1.239 1.00 0.00 C ATOM 112 C VAL A 9 139.707 7.180 -1.606 1.00 0.00 C ATOM 113 O VAL A 9 140.245 6.299 -0.935 1.00 0.00 O ATOM 114 CB VAL A 9 138.448 9.033 -0.505 1.00 0.00 C ATOM 115 CG1 VAL A 9 137.055 9.519 -0.098 1.00 0.00 C ATOM 116 CG2 VAL A 9 139.308 8.850 0.747 1.00 0.00 C ATOM 0 H VAL A 9 138.220 6.331 0.344 1.00 0.00 H new ATOM 0 HA VAL A 9 137.746 7.847 -2.150 1.00 0.00 H new ATOM 0 HB VAL A 9 138.914 9.768 -1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 9 137.140 10.471 0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 9 136.440 9.649 -0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 9 136.591 8.784 0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 9 139.396 9.802 1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 9 138.842 8.116 1.404 1.00 0.00 H new ATOM 0 HG23 VAL A 9 140.300 8.501 0.459 1.00 0.00 H new ATOM 120 N GLY A 10 140.281 7.722 -2.670 1.00 0.00 N ATOM 121 CA GLY A 10 141.602 7.289 -3.099 1.00 0.00 C ATOM 122 C GLY A 10 142.225 8.289 -4.063 1.00 0.00 C ATOM 123 O GLY A 10 141.648 9.336 -4.351 1.00 0.00 O ATOM 0 H GLY A 10 139.860 8.452 -3.245 1.00 0.00 H new ATOM 0 HA2 GLY A 10 142.248 7.168 -2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 10 141.529 6.314 -3.580 1.00 0.00 H new ATOM 127 N ASP A 11 143.409 7.951 -4.558 1.00 0.00 N ATOM 128 CA ASP A 11 144.115 8.821 -5.494 1.00 0.00 C ATOM 129 C ASP A 11 143.570 8.639 -6.905 1.00 0.00 C ATOM 130 O ASP A 11 143.539 7.524 -7.428 1.00 0.00 O ATOM 131 CB ASP A 11 145.611 8.506 -5.478 1.00 0.00 C ATOM 132 CG ASP A 11 146.356 9.480 -6.385 1.00 0.00 C ATOM 133 OD1 ASP A 11 146.642 10.577 -5.934 1.00 0.00 O ATOM 134 OD2 ASP A 11 146.628 9.115 -7.516 1.00 0.00 O ATOM 0 H ASP A 11 143.899 7.086 -4.330 1.00 0.00 H new ATOM 0 HA ASP A 11 143.961 9.855 -5.186 1.00 0.00 H new ATOM 0 HB2 ASP A 11 145.995 8.576 -4.460 1.00 0.00 H new ATOM 0 HB3 ASP A 11 145.780 7.482 -5.812 1.00 0.00 H new ATOM 139 N GLY A 12 143.146 9.739 -7.523 1.00 0.00 N ATOM 140 CA GLY A 12 142.611 9.682 -8.879 1.00 0.00 C ATOM 141 C GLY A 12 141.818 8.401 -9.095 1.00 0.00 C ATOM 142 O GLY A 12 141.890 7.789 -10.160 1.00 0.00 O ATOM 0 H GLY A 12 143.162 10.672 -7.110 1.00 0.00 H new ATOM 0 HA2 GLY A 12 141.971 10.546 -9.059 1.00 0.00 H new ATOM 0 HA3 GLY A 12 143.427 9.735 -9.599 1.00 0.00 H new ATOM 146 N ALA A 13 141.060 8.004 -8.078 1.00 0.00 N ATOM 147 CA ALA A 13 140.252 6.793 -8.161 1.00 0.00 C ATOM 148 C ALA A 13 141.114 5.588 -8.527 1.00 0.00 C ATOM 149 O ALA A 13 141.811 5.591 -9.540 1.00 0.00 O ATOM 150 CB ALA A 13 139.150 6.968 -9.207 1.00 0.00 C ATOM 0 H ALA A 13 140.988 8.501 -7.190 1.00 0.00 H new ATOM 0 HA ALA A 13 139.803 6.618 -7.183 1.00 0.00 H new ATOM 0 HB1 ALA A 13 138.552 6.058 -9.261 1.00 0.00 H new ATOM 0 HB2 ALA A 13 138.511 7.806 -8.926 1.00 0.00 H new ATOM 0 HB3 ALA A 13 139.600 7.165 -10.180 1.00 0.00 H new ATOM 156 N VAL A 14 141.051 4.555 -7.697 1.00 0.00 N ATOM 157 CA VAL A 14 141.820 3.341 -7.941 1.00 0.00 C ATOM 158 C VAL A 14 140.879 2.146 -8.062 1.00 0.00 C ATOM 159 O VAL A 14 139.669 2.321 -8.196 1.00 0.00 O ATOM 160 CB VAL A 14 142.824 3.112 -6.807 1.00 0.00 C ATOM 161 CG1 VAL A 14 144.081 3.957 -7.052 1.00 0.00 C ATOM 162 CG2 VAL A 14 142.190 3.525 -5.477 1.00 0.00 C ATOM 0 H VAL A 14 140.479 4.533 -6.853 1.00 0.00 H new ATOM 0 HA VAL A 14 142.371 3.454 -8.875 1.00 0.00 H new ATOM 0 HB VAL A 14 143.096 2.057 -6.774 1.00 0.00 H new ATOM 0 HG11 VAL A 14 144.793 3.792 -6.244 1.00 0.00 H new ATOM 0 HG12 VAL A 14 144.535 3.668 -8.000 1.00 0.00 H new ATOM 0 HG13 VAL A 14 143.809 5.012 -7.086 1.00 0.00 H new ATOM 0 HG21 VAL A 14 142.903 3.363 -4.668 1.00 0.00 H new ATOM 0 HG22 VAL A 14 141.919 4.580 -5.515 1.00 0.00 H new ATOM 0 HG23 VAL A 14 141.297 2.927 -5.299 1.00 0.00 H new ATOM 166 N GLY A 15 141.443 0.941 -8.046 1.00 0.00 N ATOM 167 CA GLY A 15 140.642 -0.280 -8.180 1.00 0.00 C ATOM 168 C GLY A 15 139.577 -0.404 -7.083 1.00 0.00 C ATOM 169 O GLY A 15 139.459 -1.447 -6.443 1.00 0.00 O ATOM 0 H GLY A 15 142.445 0.781 -7.942 1.00 0.00 H new ATOM 0 HA2 GLY A 15 140.157 -0.288 -9.156 1.00 0.00 H new ATOM 0 HA3 GLY A 15 141.300 -1.149 -8.144 1.00 0.00 H new ATOM 173 N LYS A 16 138.808 0.661 -6.878 1.00 0.00 N ATOM 174 CA LYS A 16 137.755 0.681 -5.873 1.00 0.00 C ATOM 175 C LYS A 16 136.730 -0.438 -6.089 1.00 0.00 C ATOM 176 O LYS A 16 136.244 -1.036 -5.129 1.00 0.00 O ATOM 177 CB LYS A 16 137.051 2.031 -5.974 1.00 0.00 C ATOM 178 CG LYS A 16 136.263 2.076 -7.290 1.00 0.00 C ATOM 179 CD LYS A 16 135.925 3.523 -7.660 1.00 0.00 C ATOM 180 CE LYS A 16 134.786 3.533 -8.682 1.00 0.00 C ATOM 181 NZ LYS A 16 134.832 4.800 -9.466 1.00 0.00 N ATOM 0 H LYS A 16 138.898 1.531 -7.403 1.00 0.00 H new ATOM 0 HA LYS A 16 138.200 0.527 -4.890 1.00 0.00 H new ATOM 0 HB2 LYS A 16 136.380 2.172 -5.127 1.00 0.00 H new ATOM 0 HB3 LYS A 16 137.780 2.841 -5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 16 136.848 1.617 -8.087 1.00 0.00 H new ATOM 0 HG3 LYS A 16 135.346 1.495 -7.192 1.00 0.00 H new ATOM 0 HD2 LYS A 16 135.634 4.079 -6.769 1.00 0.00 H new ATOM 0 HD3 LYS A 16 136.803 4.019 -8.073 1.00 0.00 H new ATOM 0 HE2 LYS A 16 134.875 2.676 -9.350 1.00 0.00 H new ATOM 0 HE3 LYS A 16 133.826 3.442 -8.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 133.946 4.911 -9.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 134.949 5.605 -8.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 135.633 4.769 -10.128 1.00 0.00 H new ATOM 195 N THR A 17 136.384 -0.698 -7.348 1.00 0.00 N ATOM 196 CA THR A 17 135.390 -1.727 -7.667 1.00 0.00 C ATOM 197 C THR A 17 135.871 -3.130 -7.296 1.00 0.00 C ATOM 198 O THR A 17 135.113 -3.925 -6.740 1.00 0.00 O ATOM 199 CB THR A 17 135.064 -1.683 -9.160 1.00 0.00 C ATOM 200 OG1 THR A 17 136.219 -2.046 -9.906 1.00 0.00 O ATOM 201 CG2 THR A 17 134.627 -0.270 -9.546 1.00 0.00 C ATOM 0 H THR A 17 136.772 -0.217 -8.159 1.00 0.00 H new ATOM 0 HA THR A 17 134.499 -1.513 -7.077 1.00 0.00 H new ATOM 0 HB THR A 17 134.257 -2.382 -9.378 1.00 0.00 H new ATOM 0 HG1 THR A 17 136.378 -1.380 -10.607 1.00 0.00 H new ATOM 0 HG21 THR A 17 134.395 -0.239 -10.611 1.00 0.00 H new ATOM 0 HG22 THR A 17 133.742 0.006 -8.973 1.00 0.00 H new ATOM 0 HG23 THR A 17 135.433 0.432 -9.330 1.00 0.00 H new ATOM 206 N CYS A 18 137.122 -3.434 -7.614 1.00 0.00 N ATOM 207 CA CYS A 18 137.680 -4.752 -7.315 1.00 0.00 C ATOM 208 C CYS A 18 137.511 -5.096 -5.837 1.00 0.00 C ATOM 209 O CYS A 18 137.486 -6.267 -5.455 1.00 0.00 O ATOM 210 CB CYS A 18 139.165 -4.780 -7.674 1.00 0.00 C ATOM 211 SG CYS A 18 139.410 -4.010 -9.294 1.00 0.00 S ATOM 0 H CYS A 18 137.768 -2.794 -8.076 1.00 0.00 H new ATOM 0 HA CYS A 18 137.141 -5.491 -7.909 1.00 0.00 H new ATOM 0 HB2 CYS A 18 139.743 -4.250 -6.917 1.00 0.00 H new ATOM 0 HB3 CYS A 18 139.527 -5.808 -7.690 1.00 0.00 H new ATOM 0 HG CYS A 18 140.021 -2.872 -9.146 1.00 0.00 H new ATOM 217 N LEU A 19 137.398 -4.062 -5.016 1.00 0.00 N ATOM 218 CA LEU A 19 137.235 -4.244 -3.575 1.00 0.00 C ATOM 219 C LEU A 19 135.844 -4.784 -3.239 1.00 0.00 C ATOM 220 O LEU A 19 135.689 -5.613 -2.343 1.00 0.00 O ATOM 221 CB LEU A 19 137.441 -2.903 -2.866 1.00 0.00 C ATOM 222 CG LEU A 19 138.751 -2.268 -3.336 1.00 0.00 C ATOM 223 CD1 LEU A 19 138.935 -0.909 -2.660 1.00 0.00 C ATOM 224 CD2 LEU A 19 139.926 -3.179 -2.972 1.00 0.00 C ATOM 0 H LEU A 19 137.416 -3.088 -5.319 1.00 0.00 H new ATOM 0 HA LEU A 19 137.976 -4.968 -3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 19 136.605 -2.236 -3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 19 137.464 -3.051 -1.786 1.00 0.00 H new ATOM 0 HG LEU A 19 138.716 -2.135 -4.417 1.00 0.00 H new ATOM 0 HD11 LEU A 19 139.869 -0.459 -2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 19 138.102 -0.256 -2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 19 138.965 -1.042 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 19 140.857 -2.723 -3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 19 139.959 -3.316 -1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 19 139.800 -4.147 -3.457 1.00 0.00 H new ATOM 230 N LEU A 20 134.835 -4.290 -3.953 1.00 0.00 N ATOM 231 CA LEU A 20 133.456 -4.705 -3.717 1.00 0.00 C ATOM 232 C LEU A 20 133.248 -6.191 -4.001 1.00 0.00 C ATOM 233 O LEU A 20 132.499 -6.865 -3.294 1.00 0.00 O ATOM 234 CB LEU A 20 132.523 -3.888 -4.613 1.00 0.00 C ATOM 235 CG LEU A 20 131.068 -4.192 -4.252 1.00 0.00 C ATOM 236 CD1 LEU A 20 130.780 -3.700 -2.834 1.00 0.00 C ATOM 237 CD2 LEU A 20 130.145 -3.473 -5.238 1.00 0.00 C ATOM 0 H LEU A 20 134.947 -3.603 -4.698 1.00 0.00 H new ATOM 0 HA LEU A 20 133.232 -4.531 -2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 20 132.724 -2.824 -4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 20 132.706 -4.128 -5.660 1.00 0.00 H new ATOM 0 HG LEU A 20 130.895 -5.267 -4.303 1.00 0.00 H new ATOM 0 HD11 LEU A 20 129.743 -3.917 -2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 20 131.441 -4.207 -2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 20 130.950 -2.625 -2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 20 129.106 -3.686 -4.986 1.00 0.00 H new ATOM 0 HD22 LEU A 20 130.319 -2.398 -5.182 1.00 0.00 H new ATOM 0 HD23 LEU A 20 130.351 -3.822 -6.250 1.00 0.00 H new ATOM 243 N ILE A 21 133.891 -6.691 -5.048 1.00 0.00 N ATOM 244 CA ILE A 21 133.737 -8.093 -5.423 1.00 0.00 C ATOM 245 C ILE A 21 134.726 -8.998 -4.692 1.00 0.00 C ATOM 246 O ILE A 21 134.797 -10.195 -4.974 1.00 0.00 O ATOM 247 CB ILE A 21 133.901 -8.250 -6.938 1.00 0.00 C ATOM 248 CG1 ILE A 21 135.351 -7.962 -7.345 1.00 0.00 C ATOM 249 CG2 ILE A 21 132.972 -7.269 -7.654 1.00 0.00 C ATOM 250 CD1 ILE A 21 135.515 -8.201 -8.848 1.00 0.00 C ATOM 0 H ILE A 21 134.518 -6.155 -5.648 1.00 0.00 H new ATOM 0 HA ILE A 21 132.734 -8.402 -5.128 1.00 0.00 H new ATOM 0 HB ILE A 21 133.648 -9.272 -7.218 1.00 0.00 H new ATOM 0 HG12 ILE A 21 135.612 -6.933 -7.099 1.00 0.00 H new ATOM 0 HG13 ILE A 21 136.031 -8.605 -6.787 1.00 0.00 H new ATOM 0 HG21 ILE A 21 133.088 -7.379 -8.732 1.00 0.00 H new ATOM 0 HG22 ILE A 21 131.939 -7.478 -7.376 1.00 0.00 H new ATOM 0 HG23 ILE A 21 133.227 -6.249 -7.364 1.00 0.00 H new ATOM 0 HD11 ILE A 21 136.545 -7.997 -9.139 1.00 0.00 H new ATOM 0 HD12 ILE A 21 135.271 -9.238 -9.080 1.00 0.00 H new ATOM 0 HD13 ILE A 21 134.845 -7.539 -9.397 1.00 0.00 H new ATOM 254 N SER A 22 135.496 -8.441 -3.764 1.00 0.00 N ATOM 255 CA SER A 22 136.470 -9.250 -3.039 1.00 0.00 C ATOM 256 C SER A 22 135.778 -10.395 -2.300 1.00 0.00 C ATOM 257 O SER A 22 135.843 -11.536 -2.756 1.00 0.00 O ATOM 258 CB SER A 22 137.231 -8.367 -2.065 1.00 0.00 C ATOM 259 OG SER A 22 138.210 -9.145 -1.386 1.00 0.00 O ATOM 0 H SER A 22 135.468 -7.456 -3.500 1.00 0.00 H new ATOM 0 HA SER A 22 137.171 -9.688 -3.750 1.00 0.00 H new ATOM 0 HB2 SER A 22 137.710 -7.546 -2.599 1.00 0.00 H new ATOM 0 HB3 SER A 22 136.543 -7.922 -1.347 1.00 0.00 H new ATOM 0 HG SER A 22 139.101 -8.780 -1.567 1.00 0.00 H new ATOM 265 N TYR A 23 135.098 -10.126 -1.177 1.00 0.00 N ATOM 266 CA TYR A 23 134.417 -11.206 -0.473 1.00 0.00 C ATOM 267 C TYR A 23 133.254 -11.749 -1.300 1.00 0.00 C ATOM 268 O TYR A 23 133.008 -12.955 -1.326 1.00 0.00 O ATOM 269 CB TYR A 23 133.897 -10.707 0.875 1.00 0.00 C ATOM 270 CG TYR A 23 133.143 -11.815 1.571 1.00 0.00 C ATOM 271 CD1 TYR A 23 133.784 -13.025 1.862 1.00 0.00 C ATOM 272 CD2 TYR A 23 131.800 -11.633 1.926 1.00 0.00 C ATOM 273 CE1 TYR A 23 133.085 -14.051 2.508 1.00 0.00 C ATOM 274 CE2 TYR A 23 131.100 -12.660 2.572 1.00 0.00 C ATOM 275 CZ TYR A 23 131.744 -13.868 2.863 1.00 0.00 C ATOM 276 OH TYR A 23 131.055 -14.880 3.499 1.00 0.00 O ATOM 0 H TYR A 23 135.009 -9.203 -0.753 1.00 0.00 H new ATOM 0 HA TYR A 23 135.135 -12.010 -0.312 1.00 0.00 H new ATOM 0 HB2 TYR A 23 134.729 -10.374 1.496 1.00 0.00 H new ATOM 0 HB3 TYR A 23 133.244 -9.846 0.728 1.00 0.00 H new ATOM 0 HD1 TYR A 23 134.819 -13.167 1.588 1.00 0.00 H new ATOM 0 HD2 TYR A 23 131.304 -10.700 1.701 1.00 0.00 H new ATOM 0 HE1 TYR A 23 133.581 -14.984 2.732 1.00 0.00 H new ATOM 0 HE2 TYR A 23 130.065 -12.520 2.845 1.00 0.00 H new ATOM 0 HH TYR A 23 130.136 -14.589 3.676 1.00 0.00 H new ATOM 286 N THR A 24 132.533 -10.849 -1.961 1.00 0.00 N ATOM 287 CA THR A 24 131.385 -11.246 -2.772 1.00 0.00 C ATOM 288 C THR A 24 131.747 -12.396 -3.705 1.00 0.00 C ATOM 289 O THR A 24 131.002 -13.368 -3.824 1.00 0.00 O ATOM 290 CB THR A 24 130.900 -10.056 -3.602 1.00 0.00 C ATOM 291 OG1 THR A 24 131.259 -8.846 -2.948 1.00 0.00 O ATOM 292 CG2 THR A 24 129.380 -10.123 -3.755 1.00 0.00 C ATOM 0 H THR A 24 132.721 -9.846 -1.952 1.00 0.00 H new ATOM 0 HA THR A 24 130.593 -11.577 -2.100 1.00 0.00 H new ATOM 0 HB THR A 24 131.364 -10.088 -4.588 1.00 0.00 H new ATOM 0 HG1 THR A 24 131.525 -8.180 -3.616 1.00 0.00 H new ATOM 0 HG21 THR A 24 129.036 -9.275 -4.347 1.00 0.00 H new ATOM 0 HG22 THR A 24 129.105 -11.051 -4.257 1.00 0.00 H new ATOM 0 HG23 THR A 24 128.913 -10.092 -2.770 1.00 0.00 H new ATOM 297 N THR A 25 132.894 -12.280 -4.367 1.00 0.00 N ATOM 298 CA THR A 25 133.336 -13.319 -5.288 1.00 0.00 C ATOM 299 C THR A 25 134.668 -12.940 -5.926 1.00 0.00 C ATOM 300 O THR A 25 134.721 -12.552 -7.093 1.00 0.00 O ATOM 301 CB THR A 25 132.287 -13.527 -6.383 1.00 0.00 C ATOM 302 OG1 THR A 25 132.854 -14.289 -7.440 1.00 0.00 O ATOM 303 CG2 THR A 25 131.830 -12.169 -6.919 1.00 0.00 C ATOM 0 H THR A 25 133.528 -11.485 -4.284 1.00 0.00 H new ATOM 0 HA THR A 25 133.465 -14.244 -4.726 1.00 0.00 H new ATOM 0 HB THR A 25 131.430 -14.059 -5.970 1.00 0.00 H new ATOM 0 HG1 THR A 25 133.589 -13.786 -7.849 1.00 0.00 H new ATOM 0 HG21 THR A 25 131.083 -12.318 -7.699 1.00 0.00 H new ATOM 0 HG22 THR A 25 131.396 -11.585 -6.108 1.00 0.00 H new ATOM 0 HG23 THR A 25 132.685 -11.635 -7.333 1.00 0.00 H new ATOM 308 N ASN A 26 135.743 -13.057 -5.153 1.00 0.00 N ATOM 309 CA ASN A 26 137.069 -12.727 -5.656 1.00 0.00 C ATOM 310 C ASN A 26 137.414 -13.609 -6.851 1.00 0.00 C ATOM 311 O ASN A 26 137.561 -14.824 -6.715 1.00 0.00 O ATOM 312 CB ASN A 26 138.107 -12.927 -4.549 1.00 0.00 C ATOM 313 CG ASN A 26 138.336 -14.415 -4.312 1.00 0.00 C ATOM 314 OD1 ASN A 26 137.422 -15.118 -3.702 1.00 0.00 O flip ATOM 315 ND2 ASN A 26 139.377 -14.953 -4.693 1.00 0.00 N flip ATOM 0 H ASN A 26 135.722 -13.375 -4.184 1.00 0.00 H new ATOM 0 HA ASN A 26 137.076 -11.684 -5.974 1.00 0.00 H new ATOM 0 HB2 ASN A 26 139.045 -12.446 -4.827 1.00 0.00 H new ATOM 0 HB3 ASN A 26 137.766 -12.452 -3.629 1.00 0.00 H new ATOM 0 HD21 ASN A 26 140.091 -14.402 -5.170 1.00 0.00 H new ATOM 0 HD22 ASN A 26 139.525 -15.949 -4.532 1.00 0.00 H new ATOM 320 N LYS A 27 137.530 -12.994 -8.025 1.00 0.00 N ATOM 321 CA LYS A 27 137.846 -13.747 -9.237 1.00 0.00 C ATOM 322 C LYS A 27 138.608 -12.886 -10.242 1.00 0.00 C ATOM 323 O LYS A 27 138.247 -12.828 -11.416 1.00 0.00 O ATOM 324 CB LYS A 27 136.558 -14.258 -9.888 1.00 0.00 C ATOM 325 CG LYS A 27 135.882 -15.277 -8.965 1.00 0.00 C ATOM 326 CD LYS A 27 134.688 -15.904 -9.686 1.00 0.00 C ATOM 327 CE LYS A 27 133.957 -16.850 -8.731 1.00 0.00 C ATOM 328 NZ LYS A 27 132.584 -17.117 -9.246 1.00 0.00 N ATOM 0 H LYS A 27 137.412 -11.990 -8.163 1.00 0.00 H new ATOM 0 HA LYS A 27 138.477 -14.589 -8.950 1.00 0.00 H new ATOM 0 HB2 LYS A 27 135.882 -13.425 -10.083 1.00 0.00 H new ATOM 0 HB3 LYS A 27 136.783 -14.718 -10.850 1.00 0.00 H new ATOM 0 HG2 LYS A 27 136.594 -16.051 -8.677 1.00 0.00 H new ATOM 0 HG3 LYS A 27 135.552 -14.790 -8.048 1.00 0.00 H new ATOM 0 HD2 LYS A 27 134.009 -15.125 -10.034 1.00 0.00 H new ATOM 0 HD3 LYS A 27 135.026 -16.449 -10.567 1.00 0.00 H new ATOM 0 HE2 LYS A 27 134.509 -17.785 -8.636 1.00 0.00 H new ATOM 0 HE3 LYS A 27 133.904 -16.409 -7.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 132.088 -17.760 -8.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 132.059 -16.222 -9.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 132.645 -17.556 -10.187 1.00 0.00 H new ATOM 342 N LEU A 28 139.665 -12.226 -9.779 1.00 0.00 N ATOM 343 CA LEU A 28 140.470 -11.380 -10.656 1.00 0.00 C ATOM 344 C LEU A 28 139.602 -10.294 -11.307 1.00 0.00 C ATOM 345 O LEU A 28 138.558 -10.600 -11.881 1.00 0.00 O ATOM 346 CB LEU A 28 141.107 -12.236 -11.756 1.00 0.00 C ATOM 347 CG LEU A 28 142.590 -12.460 -11.451 1.00 0.00 C ATOM 348 CD1 LEU A 28 142.729 -13.328 -10.200 1.00 0.00 C ATOM 349 CD2 LEU A 28 143.251 -13.168 -12.636 1.00 0.00 C ATOM 0 H LEU A 28 139.983 -12.259 -8.810 1.00 0.00 H new ATOM 0 HA LEU A 28 141.246 -10.904 -10.057 1.00 0.00 H new ATOM 0 HB2 LEU A 28 140.593 -13.194 -11.826 1.00 0.00 H new ATOM 0 HB3 LEU A 28 140.996 -11.743 -12.722 1.00 0.00 H new ATOM 0 HG LEU A 28 143.075 -11.499 -11.282 1.00 0.00 H new ATOM 0 HD11 LEU A 28 143.785 -13.487 -9.983 1.00 0.00 H new ATOM 0 HD12 LEU A 28 142.257 -12.827 -9.355 1.00 0.00 H new ATOM 0 HD13 LEU A 28 142.244 -14.290 -10.369 1.00 0.00 H new ATOM 0 HD21 LEU A 28 144.307 -13.328 -12.421 1.00 0.00 H new ATOM 0 HD22 LEU A 28 142.765 -14.129 -12.803 1.00 0.00 H new ATOM 0 HD23 LEU A 28 143.152 -12.551 -13.529 1.00 0.00 H new ATOM 355 N PRO A 29 140.002 -9.041 -11.244 1.00 0.00 N ATOM 356 CA PRO A 29 139.223 -7.928 -11.857 1.00 0.00 C ATOM 357 C PRO A 29 139.391 -7.883 -13.372 1.00 0.00 C ATOM 358 O PRO A 29 140.380 -8.381 -13.911 1.00 0.00 O ATOM 359 CB PRO A 29 139.813 -6.677 -11.211 1.00 0.00 C ATOM 360 CG PRO A 29 141.221 -7.038 -10.888 1.00 0.00 C ATOM 361 CD PRO A 29 141.229 -8.541 -10.593 1.00 0.00 C ATOM 0 HA PRO A 29 138.151 -8.035 -11.690 1.00 0.00 H new ATOM 0 HB2 PRO A 29 139.770 -5.825 -11.889 1.00 0.00 H new ATOM 0 HB3 PRO A 29 139.261 -6.399 -10.313 1.00 0.00 H new ATOM 0 HG2 PRO A 29 141.883 -6.803 -11.722 1.00 0.00 H new ATOM 0 HG3 PRO A 29 141.579 -6.472 -10.028 1.00 0.00 H new ATOM 0 HD2 PRO A 29 142.120 -9.022 -10.998 1.00 0.00 H new ATOM 0 HD3 PRO A 29 141.220 -8.737 -9.521 1.00 0.00 H new ATOM 369 N SER A 30 138.424 -7.281 -14.053 1.00 0.00 N ATOM 370 CA SER A 30 138.484 -7.174 -15.506 1.00 0.00 C ATOM 371 C SER A 30 138.552 -5.710 -15.927 1.00 0.00 C ATOM 372 O SER A 30 137.978 -4.840 -15.272 1.00 0.00 O ATOM 373 CB SER A 30 137.252 -7.831 -16.130 1.00 0.00 C ATOM 374 OG SER A 30 137.195 -9.195 -15.735 1.00 0.00 O ATOM 0 H SER A 30 137.596 -6.863 -13.628 1.00 0.00 H new ATOM 0 HA SER A 30 139.381 -7.685 -15.855 1.00 0.00 H new ATOM 0 HB2 SER A 30 136.348 -7.311 -15.813 1.00 0.00 H new ATOM 0 HB3 SER A 30 137.297 -7.757 -17.217 1.00 0.00 H new ATOM 0 HG SER A 30 136.405 -9.618 -16.132 1.00 0.00 H new ATOM 380 N GLU A 31 139.254 -5.445 -17.023 1.00 0.00 N ATOM 381 CA GLU A 31 139.386 -4.079 -17.517 1.00 0.00 C ATOM 382 C GLU A 31 138.010 -3.473 -17.759 1.00 0.00 C ATOM 383 O GLU A 31 137.799 -2.278 -17.547 1.00 0.00 O ATOM 384 CB GLU A 31 140.190 -4.069 -18.820 1.00 0.00 C ATOM 385 CG GLU A 31 140.448 -2.625 -19.252 1.00 0.00 C ATOM 386 CD GLU A 31 141.176 -2.606 -20.592 1.00 0.00 C ATOM 387 OE1 GLU A 31 141.411 -3.674 -21.132 1.00 0.00 O ATOM 388 OE2 GLU A 31 141.489 -1.524 -21.060 1.00 0.00 O ATOM 0 H GLU A 31 139.736 -6.149 -17.581 1.00 0.00 H new ATOM 0 HA GLU A 31 139.909 -3.485 -16.768 1.00 0.00 H new ATOM 0 HB2 GLU A 31 141.136 -4.592 -18.679 1.00 0.00 H new ATOM 0 HB3 GLU A 31 139.645 -4.601 -19.600 1.00 0.00 H new ATOM 0 HG2 GLU A 31 139.504 -2.086 -19.334 1.00 0.00 H new ATOM 0 HG3 GLU A 31 141.044 -2.111 -18.497 1.00 0.00 H new ATOM 395 N TYR A 32 137.076 -4.309 -18.198 1.00 0.00 N ATOM 396 CA TYR A 32 135.716 -3.856 -18.462 1.00 0.00 C ATOM 397 C TYR A 32 135.045 -3.397 -17.172 1.00 0.00 C ATOM 398 O TYR A 32 134.228 -2.476 -17.181 1.00 0.00 O ATOM 399 CB TYR A 32 134.901 -4.990 -19.086 1.00 0.00 C ATOM 400 CG TYR A 32 135.531 -5.402 -20.395 1.00 0.00 C ATOM 401 CD1 TYR A 32 135.266 -4.670 -21.559 1.00 0.00 C ATOM 402 CD2 TYR A 32 136.379 -6.514 -20.444 1.00 0.00 C ATOM 403 CE1 TYR A 32 135.850 -5.051 -22.773 1.00 0.00 C ATOM 404 CE2 TYR A 32 136.962 -6.895 -21.658 1.00 0.00 C ATOM 405 CZ TYR A 32 136.698 -6.163 -22.823 1.00 0.00 C ATOM 406 OH TYR A 32 137.272 -6.538 -24.020 1.00 0.00 O ATOM 0 H TYR A 32 137.235 -5.300 -18.378 1.00 0.00 H new ATOM 0 HA TYR A 32 135.761 -3.016 -19.155 1.00 0.00 H new ATOM 0 HB2 TYR A 32 134.861 -5.841 -18.406 1.00 0.00 H new ATOM 0 HB3 TYR A 32 133.874 -4.666 -19.251 1.00 0.00 H new ATOM 0 HD1 TYR A 32 134.611 -3.812 -21.520 1.00 0.00 H new ATOM 0 HD2 TYR A 32 136.583 -7.078 -19.546 1.00 0.00 H new ATOM 0 HE1 TYR A 32 135.646 -4.487 -23.671 1.00 0.00 H new ATOM 0 HE2 TYR A 32 137.616 -7.754 -21.697 1.00 0.00 H new ATOM 0 HH TYR A 32 137.834 -7.329 -23.880 1.00 0.00 H new ATOM 416 N VAL A 33 135.391 -4.050 -16.066 1.00 0.00 N ATOM 417 CA VAL A 33 134.810 -3.703 -14.774 1.00 0.00 C ATOM 418 C VAL A 33 133.293 -3.592 -14.885 1.00 0.00 C ATOM 419 O VAL A 33 132.730 -2.500 -14.797 1.00 0.00 O ATOM 420 CB VAL A 33 135.388 -2.379 -14.271 1.00 0.00 C ATOM 421 CG1 VAL A 33 134.869 -2.098 -12.858 1.00 0.00 C ATOM 422 CG2 VAL A 33 136.916 -2.470 -14.240 1.00 0.00 C ATOM 0 H VAL A 33 136.065 -4.815 -16.038 1.00 0.00 H new ATOM 0 HA VAL A 33 135.056 -4.493 -14.064 1.00 0.00 H new ATOM 0 HB VAL A 33 135.082 -1.573 -14.938 1.00 0.00 H new ATOM 0 HG11 VAL A 33 135.281 -1.155 -12.500 1.00 0.00 H new ATOM 0 HG12 VAL A 33 133.781 -2.035 -12.876 1.00 0.00 H new ATOM 0 HG13 VAL A 33 135.175 -2.904 -12.191 1.00 0.00 H new ATOM 0 HG21 VAL A 33 137.329 -1.527 -13.882 1.00 0.00 H new ATOM 0 HG22 VAL A 33 137.219 -3.276 -13.572 1.00 0.00 H new ATOM 0 HG23 VAL A 33 137.289 -2.671 -15.244 1.00 0.00 H new ATOM 426 N PRO A 34 132.632 -4.701 -15.082 1.00 0.00 N ATOM 427 CA PRO A 34 131.147 -4.747 -15.216 1.00 0.00 C ATOM 428 C PRO A 34 130.443 -4.010 -14.079 1.00 0.00 C ATOM 429 O PRO A 34 129.250 -3.715 -14.163 1.00 0.00 O ATOM 430 CB PRO A 34 130.820 -6.242 -15.180 1.00 0.00 C ATOM 431 CG PRO A 34 132.071 -6.937 -15.606 1.00 0.00 C ATOM 432 CD PRO A 34 133.236 -6.036 -15.199 1.00 0.00 C ATOM 0 HA PRO A 34 130.806 -4.255 -16.127 1.00 0.00 H new ATOM 0 HB2 PRO A 34 130.520 -6.554 -14.180 1.00 0.00 H new ATOM 0 HB3 PRO A 34 129.993 -6.479 -15.849 1.00 0.00 H new ATOM 0 HG2 PRO A 34 132.152 -7.914 -15.129 1.00 0.00 H new ATOM 0 HG3 PRO A 34 132.071 -7.107 -16.683 1.00 0.00 H new ATOM 0 HD2 PRO A 34 133.678 -6.358 -14.256 1.00 0.00 H new ATOM 0 HD3 PRO A 34 134.031 -6.050 -15.945 1.00 0.00 H new ATOM 440 N THR A 35 131.188 -3.717 -13.019 1.00 0.00 N ATOM 441 CA THR A 35 130.624 -3.016 -11.872 1.00 0.00 C ATOM 442 C THR A 35 129.332 -3.685 -11.413 1.00 0.00 C ATOM 443 O THR A 35 128.819 -4.588 -12.074 1.00 0.00 O ATOM 444 CB THR A 35 130.338 -1.557 -12.237 1.00 0.00 C ATOM 445 OG1 THR A 35 130.383 -1.406 -13.650 1.00 0.00 O ATOM 446 CG2 THR A 35 131.386 -0.651 -11.591 1.00 0.00 C ATOM 0 H THR A 35 132.177 -3.952 -12.930 1.00 0.00 H new ATOM 0 HA THR A 35 131.350 -3.054 -11.059 1.00 0.00 H new ATOM 0 HB THR A 35 129.349 -1.279 -11.873 1.00 0.00 H new ATOM 0 HG1 THR A 35 130.199 -0.473 -13.885 1.00 0.00 H new ATOM 0 HG21 THR A 35 131.180 0.387 -11.852 1.00 0.00 H new ATOM 0 HG22 THR A 35 131.349 -0.767 -10.508 1.00 0.00 H new ATOM 0 HG23 THR A 35 132.377 -0.926 -11.952 1.00 0.00 H new ATOM 451 N VAL A 36 128.815 -3.236 -10.275 1.00 0.00 N ATOM 452 CA VAL A 36 127.584 -3.797 -9.730 1.00 0.00 C ATOM 453 C VAL A 36 126.525 -2.708 -9.585 1.00 0.00 C ATOM 454 O VAL A 36 126.837 -1.571 -9.232 1.00 0.00 O ATOM 455 CB VAL A 36 127.859 -4.432 -8.365 1.00 0.00 C ATOM 456 CG1 VAL A 36 126.612 -5.177 -7.883 1.00 0.00 C ATOM 457 CG2 VAL A 36 129.024 -5.418 -8.487 1.00 0.00 C ATOM 0 H VAL A 36 129.226 -2.490 -9.714 1.00 0.00 H new ATOM 0 HA VAL A 36 127.216 -4.561 -10.415 1.00 0.00 H new ATOM 0 HB VAL A 36 128.114 -3.651 -7.649 1.00 0.00 H new ATOM 0 HG11 VAL A 36 126.811 -5.628 -6.911 1.00 0.00 H new ATOM 0 HG12 VAL A 36 125.781 -4.477 -7.795 1.00 0.00 H new ATOM 0 HG13 VAL A 36 126.355 -5.957 -8.599 1.00 0.00 H new ATOM 0 HG21 VAL A 36 129.221 -5.871 -7.515 1.00 0.00 H new ATOM 0 HG22 VAL A 36 128.768 -6.197 -9.205 1.00 0.00 H new ATOM 0 HG23 VAL A 36 129.914 -4.889 -8.828 1.00 0.00 H new ATOM 461 N PHE A 37 125.274 -3.062 -9.859 1.00 0.00 N ATOM 462 CA PHE A 37 124.185 -2.099 -9.750 1.00 0.00 C ATOM 463 C PHE A 37 124.264 -1.381 -8.411 1.00 0.00 C ATOM 464 O PHE A 37 123.869 -0.221 -8.287 1.00 0.00 O ATOM 465 CB PHE A 37 122.836 -2.814 -9.870 1.00 0.00 C ATOM 466 CG PHE A 37 122.766 -3.536 -11.191 1.00 0.00 C ATOM 467 CD1 PHE A 37 122.622 -2.811 -12.380 1.00 0.00 C ATOM 468 CD2 PHE A 37 122.847 -4.934 -11.229 1.00 0.00 C ATOM 469 CE1 PHE A 37 122.560 -3.483 -13.607 1.00 0.00 C ATOM 470 CE2 PHE A 37 122.782 -5.605 -12.456 1.00 0.00 C ATOM 471 CZ PHE A 37 122.639 -4.880 -13.644 1.00 0.00 C ATOM 0 H PHE A 37 124.991 -3.996 -10.155 1.00 0.00 H new ATOM 0 HA PHE A 37 124.276 -1.372 -10.557 1.00 0.00 H new ATOM 0 HB2 PHE A 37 122.713 -3.521 -9.050 1.00 0.00 H new ATOM 0 HB3 PHE A 37 122.022 -2.093 -9.794 1.00 0.00 H new ATOM 0 HD1 PHE A 37 122.559 -1.733 -12.351 1.00 0.00 H new ATOM 0 HD2 PHE A 37 122.960 -5.494 -10.312 1.00 0.00 H new ATOM 0 HE1 PHE A 37 122.451 -2.924 -14.524 1.00 0.00 H new ATOM 0 HE2 PHE A 37 122.842 -6.683 -12.485 1.00 0.00 H new ATOM 0 HZ PHE A 37 122.590 -5.399 -14.590 1.00 0.00 H new ATOM 481 N ASP A 38 124.787 -2.082 -7.410 1.00 0.00 N ATOM 482 CA ASP A 38 124.930 -1.514 -6.078 1.00 0.00 C ATOM 483 C ASP A 38 125.798 -0.259 -6.124 1.00 0.00 C ATOM 484 O ASP A 38 126.565 -0.057 -7.066 1.00 0.00 O ATOM 485 CB ASP A 38 125.563 -2.542 -5.136 1.00 0.00 C ATOM 486 CG ASP A 38 124.611 -3.715 -4.928 1.00 0.00 C ATOM 487 OD1 ASP A 38 123.452 -3.583 -5.283 1.00 0.00 O ATOM 488 OD2 ASP A 38 125.055 -4.731 -4.418 1.00 0.00 O ATOM 0 H ASP A 38 125.118 -3.043 -7.498 1.00 0.00 H new ATOM 0 HA ASP A 38 123.940 -1.246 -5.708 1.00 0.00 H new ATOM 0 HB2 ASP A 38 126.505 -2.897 -5.553 1.00 0.00 H new ATOM 0 HB3 ASP A 38 125.794 -2.076 -4.178 1.00 0.00 H new ATOM 493 N ASN A 39 125.679 0.570 -5.096 1.00 0.00 N ATOM 494 CA ASN A 39 126.466 1.795 -5.017 1.00 0.00 C ATOM 495 C ASN A 39 127.076 1.932 -3.629 1.00 0.00 C ATOM 496 O ASN A 39 127.899 2.815 -3.382 1.00 0.00 O ATOM 497 CB ASN A 39 125.581 3.009 -5.311 1.00 0.00 C ATOM 498 CG ASN A 39 124.982 2.891 -6.707 1.00 0.00 C ATOM 499 OD1 ASN A 39 125.659 2.458 -7.639 1.00 0.00 O ATOM 500 ND2 ASN A 39 123.745 3.251 -6.908 1.00 0.00 N ATOM 0 H ASN A 39 125.049 0.419 -4.308 1.00 0.00 H new ATOM 0 HA ASN A 39 127.264 1.747 -5.758 1.00 0.00 H new ATOM 0 HB2 ASN A 39 124.785 3.077 -4.569 1.00 0.00 H new ATOM 0 HB3 ASN A 39 126.168 3.924 -5.234 1.00 0.00 H new ATOM 0 HD21 ASN A 39 123.336 3.174 -7.839 1.00 0.00 H new ATOM 0 HD22 ASN A 39 123.186 3.610 -6.134 1.00 0.00 H new ATOM 505 N TYR A 40 126.664 1.048 -2.727 1.00 0.00 N ATOM 506 CA TYR A 40 127.160 1.060 -1.363 1.00 0.00 C ATOM 507 C TYR A 40 126.250 0.227 -0.473 1.00 0.00 C ATOM 508 O TYR A 40 126.129 0.487 0.721 1.00 0.00 O ATOM 509 CB TYR A 40 127.234 2.496 -0.829 1.00 0.00 C ATOM 510 CG TYR A 40 126.117 3.333 -1.414 1.00 0.00 C ATOM 511 CD1 TYR A 40 124.779 2.957 -1.229 1.00 0.00 C ATOM 512 CD2 TYR A 40 126.424 4.490 -2.141 1.00 0.00 C ATOM 513 CE1 TYR A 40 123.752 3.738 -1.773 1.00 0.00 C ATOM 514 CE2 TYR A 40 125.396 5.270 -2.684 1.00 0.00 C ATOM 515 CZ TYR A 40 124.060 4.895 -2.500 1.00 0.00 C ATOM 516 OH TYR A 40 123.047 5.664 -3.035 1.00 0.00 O ATOM 0 H TYR A 40 125.985 0.312 -2.921 1.00 0.00 H new ATOM 0 HA TYR A 40 128.163 0.632 -1.356 1.00 0.00 H new ATOM 0 HB2 TYR A 40 127.162 2.491 0.259 1.00 0.00 H new ATOM 0 HB3 TYR A 40 128.198 2.936 -1.083 1.00 0.00 H new ATOM 0 HD1 TYR A 40 124.541 2.066 -0.667 1.00 0.00 H new ATOM 0 HD2 TYR A 40 127.454 4.781 -2.283 1.00 0.00 H new ATOM 0 HE1 TYR A 40 122.721 3.448 -1.632 1.00 0.00 H new ATOM 0 HE2 TYR A 40 125.634 6.162 -3.245 1.00 0.00 H new ATOM 0 HH TYR A 40 123.433 6.431 -3.508 1.00 0.00 H new ATOM 526 N ALA A 41 125.604 -0.773 -1.067 1.00 0.00 N ATOM 527 CA ALA A 41 124.700 -1.633 -0.315 1.00 0.00 C ATOM 528 C ALA A 41 124.850 -3.089 -0.744 1.00 0.00 C ATOM 529 O ALA A 41 124.419 -3.478 -1.830 1.00 0.00 O ATOM 530 CB ALA A 41 123.255 -1.183 -0.531 1.00 0.00 C ATOM 0 H ALA A 41 125.689 -1.005 -2.057 1.00 0.00 H new ATOM 0 HA ALA A 41 124.955 -1.554 0.742 1.00 0.00 H new ATOM 0 HB1 ALA A 41 122.584 -1.830 0.034 1.00 0.00 H new ATOM 0 HB2 ALA A 41 123.139 -0.154 -0.190 1.00 0.00 H new ATOM 0 HB3 ALA A 41 123.010 -1.243 -1.591 1.00 0.00 H new ATOM 536 N VAL A 42 125.448 -3.890 0.129 1.00 0.00 N ATOM 537 CA VAL A 42 125.634 -5.311 -0.149 1.00 0.00 C ATOM 538 C VAL A 42 125.144 -6.136 1.033 1.00 0.00 C ATOM 539 O VAL A 42 125.506 -5.867 2.176 1.00 0.00 O ATOM 540 CB VAL A 42 127.109 -5.613 -0.408 1.00 0.00 C ATOM 541 CG1 VAL A 42 127.260 -7.062 -0.875 1.00 0.00 C ATOM 542 CG2 VAL A 42 127.641 -4.670 -1.490 1.00 0.00 C ATOM 0 H VAL A 42 125.811 -3.583 1.031 1.00 0.00 H new ATOM 0 HA VAL A 42 125.059 -5.572 -1.037 1.00 0.00 H new ATOM 0 HB VAL A 42 127.676 -5.467 0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 42 128.313 -7.277 -1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 42 126.882 -7.734 -0.104 1.00 0.00 H new ATOM 0 HG13 VAL A 42 126.693 -7.209 -1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 42 128.693 -4.885 -1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 42 127.074 -4.815 -2.410 1.00 0.00 H new ATOM 0 HG23 VAL A 42 127.535 -3.638 -1.157 1.00 0.00 H new ATOM 546 N THR A 43 124.318 -7.136 0.755 1.00 0.00 N ATOM 547 CA THR A 43 123.782 -7.980 1.818 1.00 0.00 C ATOM 548 C THR A 43 124.291 -9.412 1.702 1.00 0.00 C ATOM 549 O THR A 43 123.855 -10.171 0.836 1.00 0.00 O ATOM 550 CB THR A 43 122.252 -7.976 1.761 1.00 0.00 C ATOM 551 OG1 THR A 43 121.750 -9.089 2.490 1.00 0.00 O ATOM 552 CG2 THR A 43 121.791 -8.067 0.306 1.00 0.00 C ATOM 0 H THR A 43 124.007 -7.382 -0.185 1.00 0.00 H new ATOM 0 HA THR A 43 124.120 -7.574 2.771 1.00 0.00 H new ATOM 0 HB THR A 43 121.875 -7.052 2.200 1.00 0.00 H new ATOM 0 HG1 THR A 43 120.771 -9.087 2.456 1.00 0.00 H new ATOM 0 HG21 THR A 43 120.702 -8.064 0.269 1.00 0.00 H new ATOM 0 HG22 THR A 43 122.176 -7.213 -0.252 1.00 0.00 H new ATOM 0 HG23 THR A 43 122.167 -8.989 -0.138 1.00 0.00 H new ATOM 557 N VAL A 44 125.206 -9.776 2.591 1.00 0.00 N ATOM 558 CA VAL A 44 125.763 -11.122 2.600 1.00 0.00 C ATOM 559 C VAL A 44 125.800 -11.664 4.026 1.00 0.00 C ATOM 560 O VAL A 44 125.848 -10.894 4.987 1.00 0.00 O ATOM 561 CB VAL A 44 127.176 -11.111 2.014 1.00 0.00 C ATOM 562 CG1 VAL A 44 127.131 -10.577 0.581 1.00 0.00 C ATOM 563 CG2 VAL A 44 128.073 -10.210 2.865 1.00 0.00 C ATOM 0 H VAL A 44 125.577 -9.159 3.314 1.00 0.00 H new ATOM 0 HA VAL A 44 125.130 -11.767 1.990 1.00 0.00 H new ATOM 0 HB VAL A 44 127.576 -12.125 2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 44 128.138 -10.569 0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 44 126.492 -11.218 -0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 44 126.731 -9.563 0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 44 129.080 -10.201 2.448 1.00 0.00 H new ATOM 0 HG22 VAL A 44 127.673 -9.196 2.868 1.00 0.00 H new ATOM 0 HG23 VAL A 44 128.106 -10.590 3.886 1.00 0.00 H new ATOM 567 N MET A 45 125.779 -12.985 4.163 1.00 0.00 N ATOM 568 CA MET A 45 125.814 -13.601 5.484 1.00 0.00 C ATOM 569 C MET A 45 127.035 -14.501 5.620 1.00 0.00 C ATOM 570 O MET A 45 127.331 -15.300 4.731 1.00 0.00 O ATOM 571 CB MET A 45 124.545 -14.426 5.714 1.00 0.00 C ATOM 572 CG MET A 45 123.934 -14.820 4.367 1.00 0.00 C ATOM 573 SD MET A 45 122.892 -13.471 3.760 1.00 0.00 S ATOM 574 CE MET A 45 122.430 -14.240 2.190 1.00 0.00 C ATOM 0 H MET A 45 125.738 -13.644 3.385 1.00 0.00 H new ATOM 0 HA MET A 45 125.871 -12.809 6.230 1.00 0.00 H new ATOM 0 HB2 MET A 45 124.780 -15.319 6.293 1.00 0.00 H new ATOM 0 HB3 MET A 45 123.826 -13.850 6.296 1.00 0.00 H new ATOM 0 HG2 MET A 45 124.723 -15.037 3.647 1.00 0.00 H new ATOM 0 HG3 MET A 45 123.343 -15.730 4.476 1.00 0.00 H new ATOM 0 HE1 MET A 45 121.773 -13.570 1.636 1.00 0.00 H new ATOM 0 HE2 MET A 45 123.327 -14.436 1.603 1.00 0.00 H new ATOM 0 HE3 MET A 45 121.911 -15.179 2.383 1.00 0.00 H new ATOM 584 N ILE A 46 127.737 -14.376 6.742 1.00 0.00 N ATOM 585 CA ILE A 46 128.919 -15.199 6.979 1.00 0.00 C ATOM 586 C ILE A 46 128.844 -15.860 8.352 1.00 0.00 C ATOM 587 O ILE A 46 128.651 -15.188 9.365 1.00 0.00 O ATOM 588 CB ILE A 46 130.181 -14.340 6.886 1.00 0.00 C ATOM 589 CG1 ILE A 46 131.409 -15.209 7.171 1.00 0.00 C ATOM 590 CG2 ILE A 46 130.106 -13.210 7.913 1.00 0.00 C ATOM 591 CD1 ILE A 46 132.669 -14.495 6.676 1.00 0.00 C ATOM 0 H ILE A 46 127.513 -13.722 7.492 1.00 0.00 H new ATOM 0 HA ILE A 46 128.957 -15.978 6.217 1.00 0.00 H new ATOM 0 HB ILE A 46 130.260 -13.915 5.885 1.00 0.00 H new ATOM 0 HG12 ILE A 46 131.487 -15.407 8.240 1.00 0.00 H new ATOM 0 HG13 ILE A 46 131.307 -16.174 6.675 1.00 0.00 H new ATOM 0 HG21 ILE A 46 131.005 -12.598 7.847 1.00 0.00 H new ATOM 0 HG22 ILE A 46 129.231 -12.592 7.711 1.00 0.00 H new ATOM 0 HG23 ILE A 46 130.028 -13.633 8.914 1.00 0.00 H new ATOM 0 HD11 ILE A 46 133.542 -15.115 6.880 1.00 0.00 H new ATOM 0 HD12 ILE A 46 132.590 -14.320 5.603 1.00 0.00 H new ATOM 0 HD13 ILE A 46 132.773 -13.541 7.192 1.00 0.00 H new ATOM 595 N GLY A 47 129.002 -17.179 8.378 1.00 0.00 N ATOM 596 CA GLY A 47 128.954 -17.919 9.633 1.00 0.00 C ATOM 597 C GLY A 47 127.613 -17.719 10.330 1.00 0.00 C ATOM 598 O GLY A 47 127.517 -17.829 11.554 1.00 0.00 O ATOM 0 H GLY A 47 129.163 -17.754 7.551 1.00 0.00 H new ATOM 0 HA2 GLY A 47 129.114 -18.980 9.441 1.00 0.00 H new ATOM 0 HA3 GLY A 47 129.761 -17.588 10.286 1.00 0.00 H new ATOM 602 N GLY A 48 126.581 -17.420 9.549 1.00 0.00 N ATOM 603 CA GLY A 48 125.254 -17.201 10.110 1.00 0.00 C ATOM 604 C GLY A 48 125.167 -15.828 10.770 1.00 0.00 C ATOM 605 O GLY A 48 124.726 -15.705 11.913 1.00 0.00 O ATOM 0 H GLY A 48 126.637 -17.324 8.535 1.00 0.00 H new ATOM 0 HA2 GLY A 48 124.504 -17.280 9.323 1.00 0.00 H new ATOM 0 HA3 GLY A 48 125.031 -17.977 10.842 1.00 0.00 H new ATOM 609 N GLU A 49 125.588 -14.799 10.040 1.00 0.00 N ATOM 610 CA GLU A 49 125.553 -13.437 10.562 1.00 0.00 C ATOM 611 C GLU A 49 124.892 -12.499 9.555 1.00 0.00 C ATOM 612 O GLU A 49 125.573 -11.774 8.829 1.00 0.00 O ATOM 613 CB GLU A 49 126.972 -12.953 10.858 1.00 0.00 C ATOM 614 CG GLU A 49 127.638 -13.907 11.851 1.00 0.00 C ATOM 615 CD GLU A 49 129.098 -13.514 12.057 1.00 0.00 C ATOM 616 OE1 GLU A 49 129.848 -13.576 11.098 1.00 0.00 O ATOM 617 OE2 GLU A 49 129.442 -13.157 13.171 1.00 0.00 O ATOM 0 H GLU A 49 125.955 -14.881 9.092 1.00 0.00 H new ATOM 0 HA GLU A 49 124.971 -13.434 11.484 1.00 0.00 H new ATOM 0 HB2 GLU A 49 127.552 -12.907 9.936 1.00 0.00 H new ATOM 0 HB3 GLU A 49 126.945 -11.944 11.269 1.00 0.00 H new ATOM 0 HG2 GLU A 49 127.108 -13.881 12.803 1.00 0.00 H new ATOM 0 HG3 GLU A 49 127.578 -14.930 11.481 1.00 0.00 H new ATOM 624 N PRO A 50 123.587 -12.511 9.498 1.00 0.00 N ATOM 625 CA PRO A 50 122.808 -11.652 8.555 1.00 0.00 C ATOM 626 C PRO A 50 123.084 -10.163 8.759 1.00 0.00 C ATOM 627 O PRO A 50 122.663 -9.573 9.753 1.00 0.00 O ATOM 628 CB PRO A 50 121.343 -11.979 8.874 1.00 0.00 C ATOM 629 CG PRO A 50 121.365 -13.276 9.614 1.00 0.00 C ATOM 630 CD PRO A 50 122.714 -13.350 10.325 1.00 0.00 C ATOM 0 HA PRO A 50 123.078 -11.851 7.518 1.00 0.00 H new ATOM 0 HB2 PRO A 50 120.890 -11.193 9.478 1.00 0.00 H new ATOM 0 HB3 PRO A 50 120.753 -12.060 7.961 1.00 0.00 H new ATOM 0 HG2 PRO A 50 120.546 -13.327 10.331 1.00 0.00 H new ATOM 0 HG3 PRO A 50 121.241 -14.115 8.929 1.00 0.00 H new ATOM 0 HD2 PRO A 50 122.650 -12.976 11.347 1.00 0.00 H new ATOM 0 HD3 PRO A 50 123.081 -14.375 10.383 1.00 0.00 H new ATOM 638 N TYR A 51 123.788 -9.565 7.804 1.00 0.00 N ATOM 639 CA TYR A 51 124.114 -8.145 7.872 1.00 0.00 C ATOM 640 C TYR A 51 124.478 -7.619 6.486 1.00 0.00 C ATOM 641 O TYR A 51 124.562 -8.390 5.529 1.00 0.00 O ATOM 642 CB TYR A 51 125.271 -7.917 8.843 1.00 0.00 C ATOM 643 CG TYR A 51 124.833 -8.302 10.237 1.00 0.00 C ATOM 644 CD1 TYR A 51 123.819 -7.576 10.873 1.00 0.00 C ATOM 645 CD2 TYR A 51 125.436 -9.383 10.890 1.00 0.00 C ATOM 646 CE1 TYR A 51 123.408 -7.930 12.164 1.00 0.00 C ATOM 647 CE2 TYR A 51 125.024 -9.737 12.182 1.00 0.00 C ATOM 648 CZ TYR A 51 124.010 -9.011 12.819 1.00 0.00 C ATOM 649 OH TYR A 51 123.606 -9.360 14.092 1.00 0.00 O ATOM 0 H TYR A 51 124.143 -10.041 6.975 1.00 0.00 H new ATOM 0 HA TYR A 51 123.240 -7.602 8.233 1.00 0.00 H new ATOM 0 HB2 TYR A 51 126.135 -8.510 8.544 1.00 0.00 H new ATOM 0 HB3 TYR A 51 125.579 -6.872 8.821 1.00 0.00 H new ATOM 0 HD1 TYR A 51 123.354 -6.743 10.368 1.00 0.00 H new ATOM 0 HD2 TYR A 51 126.218 -9.944 10.399 1.00 0.00 H new ATOM 0 HE1 TYR A 51 122.626 -7.369 12.655 1.00 0.00 H new ATOM 0 HE2 TYR A 51 125.489 -10.571 12.687 1.00 0.00 H new ATOM 0 HH TYR A 51 124.125 -10.132 14.400 1.00 0.00 H new ATOM 659 N THR A 52 124.691 -6.309 6.374 1.00 0.00 N ATOM 660 CA THR A 52 125.040 -5.722 5.084 1.00 0.00 C ATOM 661 C THR A 52 126.218 -4.754 5.204 1.00 0.00 C ATOM 662 O THR A 52 126.319 -3.992 6.168 1.00 0.00 O ATOM 663 CB THR A 52 123.832 -4.967 4.521 1.00 0.00 C ATOM 664 OG1 THR A 52 123.768 -3.676 5.112 1.00 0.00 O ATOM 665 CG2 THR A 52 122.550 -5.739 4.835 1.00 0.00 C ATOM 0 H THR A 52 124.629 -5.645 7.146 1.00 0.00 H new ATOM 0 HA THR A 52 125.329 -6.534 4.417 1.00 0.00 H new ATOM 0 HB THR A 52 123.936 -4.869 3.440 1.00 0.00 H new ATOM 0 HG1 THR A 52 122.875 -3.297 4.973 1.00 0.00 H new ATOM 0 HG21 THR A 52 121.693 -5.199 4.433 1.00 0.00 H new ATOM 0 HG22 THR A 52 122.601 -6.729 4.381 1.00 0.00 H new ATOM 0 HG23 THR A 52 122.441 -5.840 5.915 1.00 0.00 H new ATOM 670 N LEU A 53 127.087 -4.773 4.194 1.00 0.00 N ATOM 671 CA LEU A 53 128.237 -3.876 4.161 1.00 0.00 C ATOM 672 C LEU A 53 128.117 -2.930 2.973 1.00 0.00 C ATOM 673 O LEU A 53 127.940 -3.371 1.838 1.00 0.00 O ATOM 674 CB LEU A 53 129.541 -4.673 4.051 1.00 0.00 C ATOM 675 CG LEU A 53 130.731 -3.707 4.001 1.00 0.00 C ATOM 676 CD1 LEU A 53 130.794 -2.907 5.301 1.00 0.00 C ATOM 677 CD2 LEU A 53 132.029 -4.498 3.834 1.00 0.00 C ATOM 0 H LEU A 53 127.015 -5.398 3.391 1.00 0.00 H new ATOM 0 HA LEU A 53 128.255 -3.302 5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 53 129.641 -5.346 4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 53 129.525 -5.294 3.155 1.00 0.00 H new ATOM 0 HG LEU A 53 130.607 -3.028 3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 53 131.640 -2.221 5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 53 129.871 -2.340 5.424 1.00 0.00 H new ATOM 0 HD13 LEU A 53 130.916 -3.589 6.142 1.00 0.00 H new ATOM 0 HD21 LEU A 53 132.873 -3.809 3.799 1.00 0.00 H new ATOM 0 HD22 LEU A 53 132.151 -5.179 4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 53 131.989 -5.071 2.908 1.00 0.00 H new ATOM 683 N GLY A 54 128.214 -1.632 3.233 1.00 0.00 N ATOM 684 CA GLY A 54 128.112 -0.651 2.162 1.00 0.00 C ATOM 685 C GLY A 54 129.488 -0.160 1.729 1.00 0.00 C ATOM 686 O GLY A 54 130.333 0.165 2.565 1.00 0.00 O ATOM 0 H GLY A 54 128.361 -1.239 4.163 1.00 0.00 H new ATOM 0 HA2 GLY A 54 127.596 -1.092 1.309 1.00 0.00 H new ATOM 0 HA3 GLY A 54 127.510 0.194 2.496 1.00 0.00 H new ATOM 690 N LEU A 55 129.707 -0.096 0.418 1.00 0.00 N ATOM 691 CA LEU A 55 130.990 0.374 -0.103 1.00 0.00 C ATOM 692 C LEU A 55 130.794 1.694 -0.845 1.00 0.00 C ATOM 693 O LEU A 55 130.035 1.768 -1.809 1.00 0.00 O ATOM 694 CB LEU A 55 131.600 -0.672 -1.044 1.00 0.00 C ATOM 695 CG LEU A 55 133.050 -0.292 -1.368 1.00 0.00 C ATOM 696 CD1 LEU A 55 133.978 -0.752 -0.237 1.00 0.00 C ATOM 697 CD2 LEU A 55 133.483 -0.962 -2.675 1.00 0.00 C ATOM 0 H LEU A 55 129.026 -0.359 -0.294 1.00 0.00 H new ATOM 0 HA LEU A 55 131.673 0.530 0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 55 131.567 -1.657 -0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 55 131.016 -0.734 -1.962 1.00 0.00 H new ATOM 0 HG LEU A 55 133.113 0.791 -1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 55 135.006 -0.478 -0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 55 133.681 -0.271 0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 55 133.907 -1.834 -0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 55 134.514 -0.688 -2.900 1.00 0.00 H new ATOM 0 HD22 LEU A 55 133.409 -2.045 -2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 55 132.834 -0.631 -3.486 1.00 0.00 H new ATOM 703 N PHE A 56 131.463 2.739 -0.378 1.00 0.00 N ATOM 704 CA PHE A 56 131.323 4.054 -0.996 1.00 0.00 C ATOM 705 C PHE A 56 132.359 4.291 -2.093 1.00 0.00 C ATOM 706 O PHE A 56 132.465 5.403 -2.589 1.00 0.00 O ATOM 707 CB PHE A 56 131.444 5.136 0.067 1.00 0.00 C ATOM 708 CG PHE A 56 131.113 6.484 -0.538 1.00 0.00 C ATOM 709 CD1 PHE A 56 129.776 6.881 -0.661 1.00 0.00 C ATOM 710 CD2 PHE A 56 132.138 7.334 -0.974 1.00 0.00 C ATOM 711 CE1 PHE A 56 129.463 8.125 -1.219 1.00 0.00 C ATOM 712 CE2 PHE A 56 131.824 8.579 -1.534 1.00 0.00 C ATOM 713 CZ PHE A 56 130.486 8.975 -1.656 1.00 0.00 C ATOM 0 H PHE A 56 132.101 2.706 0.417 1.00 0.00 H new ATOM 0 HA PHE A 56 130.338 4.094 -1.462 1.00 0.00 H new ATOM 0 HB2 PHE A 56 130.769 4.923 0.896 1.00 0.00 H new ATOM 0 HB3 PHE A 56 132.455 5.148 0.475 1.00 0.00 H new ATOM 0 HD1 PHE A 56 128.986 6.226 -0.325 1.00 0.00 H new ATOM 0 HD2 PHE A 56 133.170 7.029 -0.878 1.00 0.00 H new ATOM 0 HE1 PHE A 56 128.431 8.430 -1.313 1.00 0.00 H new ATOM 0 HE2 PHE A 56 132.614 9.234 -1.872 1.00 0.00 H new ATOM 0 HZ PHE A 56 130.244 9.935 -2.087 1.00 0.00 H new ATOM 723 N ASP A 57 133.101 3.236 -2.454 1.00 0.00 N ATOM 724 CA ASP A 57 134.137 3.280 -3.512 1.00 0.00 C ATOM 725 C ASP A 57 134.825 4.649 -3.660 1.00 0.00 C ATOM 726 O ASP A 57 134.495 5.610 -2.976 1.00 0.00 O ATOM 727 CB ASP A 57 133.491 2.876 -4.843 1.00 0.00 C ATOM 728 CG ASP A 57 132.502 3.941 -5.306 1.00 0.00 C ATOM 729 OD1 ASP A 57 132.606 5.064 -4.842 1.00 0.00 O ATOM 730 OD2 ASP A 57 131.659 3.619 -6.127 1.00 0.00 O ATOM 0 H ASP A 57 133.004 2.318 -2.021 1.00 0.00 H new ATOM 0 HA ASP A 57 134.923 2.584 -3.220 1.00 0.00 H new ATOM 0 HB2 ASP A 57 134.263 2.735 -5.600 1.00 0.00 H new ATOM 0 HB3 ASP A 57 132.978 1.921 -4.729 1.00 0.00 H new ATOM 735 N THR A 58 135.809 4.735 -4.561 1.00 0.00 N ATOM 736 CA THR A 58 136.510 6.004 -4.761 1.00 0.00 C ATOM 737 C THR A 58 135.801 6.854 -5.810 1.00 0.00 C ATOM 738 O THR A 58 135.071 6.334 -6.654 1.00 0.00 O ATOM 739 CB THR A 58 137.956 5.760 -5.190 1.00 0.00 C ATOM 740 OG1 THR A 58 137.975 5.043 -6.416 1.00 0.00 O ATOM 741 CG2 THR A 58 138.678 4.964 -4.104 1.00 0.00 C ATOM 0 H THR A 58 136.130 3.965 -5.147 1.00 0.00 H new ATOM 0 HA THR A 58 136.507 6.540 -3.812 1.00 0.00 H new ATOM 0 HB THR A 58 138.463 6.714 -5.332 1.00 0.00 H new ATOM 0 HG1 THR A 58 137.845 5.666 -7.161 1.00 0.00 H new ATOM 0 HG21 THR A 58 139.710 4.788 -4.407 1.00 0.00 H new ATOM 0 HG22 THR A 58 138.665 5.527 -3.171 1.00 0.00 H new ATOM 0 HG23 THR A 58 138.175 4.008 -3.958 1.00 0.00 H new ATOM 746 N ALA A 59 136.019 8.164 -5.748 1.00 0.00 N ATOM 747 CA ALA A 59 135.394 9.080 -6.696 1.00 0.00 C ATOM 748 C ALA A 59 136.417 10.061 -7.262 1.00 0.00 C ATOM 749 O ALA A 59 136.055 11.119 -7.776 1.00 0.00 O ATOM 750 CB ALA A 59 134.269 9.855 -6.007 1.00 0.00 C ATOM 0 H ALA A 59 136.619 8.613 -5.056 1.00 0.00 H new ATOM 0 HA ALA A 59 134.985 8.492 -7.518 1.00 0.00 H new ATOM 0 HB1 ALA A 59 133.807 10.537 -6.721 1.00 0.00 H new ATOM 0 HB2 ALA A 59 133.520 9.156 -5.636 1.00 0.00 H new ATOM 0 HB3 ALA A 59 134.678 10.425 -5.173 1.00 0.00 H new ATOM 756 N GLY A 60 137.694 9.703 -7.167 1.00 0.00 N ATOM 757 CA GLY A 60 138.758 10.564 -7.679 1.00 0.00 C ATOM 758 C GLY A 60 138.605 10.770 -9.180 1.00 0.00 C ATOM 759 O GLY A 60 139.392 11.479 -9.804 1.00 0.00 O ATOM 0 H GLY A 60 138.016 8.832 -6.745 1.00 0.00 H new ATOM 0 HA2 GLY A 60 138.731 11.527 -7.170 1.00 0.00 H new ATOM 0 HA3 GLY A 60 139.729 10.118 -7.465 1.00 0.00 H new ATOM 972 N GLN A 74 125.538 6.535 9.062 1.00 0.00 N ATOM 973 CA GLN A 74 125.875 5.259 8.443 1.00 0.00 C ATOM 974 C GLN A 74 127.344 5.239 8.026 1.00 0.00 C ATOM 975 O GLN A 74 127.976 4.184 7.988 1.00 0.00 O ATOM 976 CB GLN A 74 124.990 5.023 7.220 1.00 0.00 C ATOM 977 CG GLN A 74 123.531 4.895 7.664 1.00 0.00 C ATOM 978 CD GLN A 74 122.633 4.700 6.448 1.00 0.00 C ATOM 979 OE1 GLN A 74 123.004 5.072 5.335 1.00 0.00 O ATOM 980 NE2 GLN A 74 121.468 4.132 6.594 1.00 0.00 N ATOM 0 HA GLN A 74 125.705 4.465 9.171 1.00 0.00 H new ATOM 0 HB2 GLN A 74 125.096 5.848 6.516 1.00 0.00 H new ATOM 0 HB3 GLN A 74 125.304 4.118 6.700 1.00 0.00 H new ATOM 0 HG2 GLN A 74 123.422 4.052 8.346 1.00 0.00 H new ATOM 0 HG3 GLN A 74 123.229 5.788 8.211 1.00 0.00 H new ATOM 0 HE21 GLN A 74 121.163 3.825 7.517 1.00 0.00 H new ATOM 0 HE22 GLN A 74 120.862 3.995 5.785 1.00 0.00 H new ATOM 987 N THR A 75 127.875 6.416 7.712 1.00 0.00 N ATOM 988 CA THR A 75 129.269 6.536 7.295 1.00 0.00 C ATOM 989 C THR A 75 130.142 6.964 8.470 1.00 0.00 C ATOM 990 O THR A 75 130.676 8.074 8.485 1.00 0.00 O ATOM 991 CB THR A 75 129.387 7.566 6.172 1.00 0.00 C ATOM 992 OG1 THR A 75 128.830 8.801 6.603 1.00 0.00 O ATOM 993 CG2 THR A 75 128.639 7.068 4.935 1.00 0.00 C ATOM 0 H THR A 75 127.364 7.298 7.738 1.00 0.00 H new ATOM 0 HA THR A 75 129.609 5.564 6.937 1.00 0.00 H new ATOM 0 HB THR A 75 130.438 7.710 5.921 1.00 0.00 H new ATOM 0 HG1 THR A 75 129.298 9.108 7.407 1.00 0.00 H new ATOM 0 HG21 THR A 75 128.725 7.805 4.136 1.00 0.00 H new ATOM 0 HG22 THR A 75 129.070 6.123 4.605 1.00 0.00 H new ATOM 0 HG23 THR A 75 127.587 6.921 5.181 1.00 0.00 H new ATOM 998 N ASP A 76 130.273 6.087 9.461 1.00 0.00 N ATOM 999 CA ASP A 76 131.074 6.405 10.641 1.00 0.00 C ATOM 1000 C ASP A 76 132.450 5.737 10.605 1.00 0.00 C ATOM 1001 O ASP A 76 133.235 5.896 11.539 1.00 0.00 O ATOM 1002 CB ASP A 76 130.333 5.963 11.905 1.00 0.00 C ATOM 1003 CG ASP A 76 129.089 6.819 12.109 1.00 0.00 C ATOM 1004 OD1 ASP A 76 128.950 7.806 11.405 1.00 0.00 O ATOM 1005 OD2 ASP A 76 128.290 6.474 12.965 1.00 0.00 O ATOM 0 H ASP A 76 129.842 5.163 9.473 1.00 0.00 H new ATOM 0 HA ASP A 76 131.226 7.484 10.647 1.00 0.00 H new ATOM 0 HB2 ASP A 76 130.052 4.913 11.823 1.00 0.00 H new ATOM 0 HB3 ASP A 76 130.990 6.050 12.770 1.00 0.00 H new ATOM 1010 N VAL A 77 132.749 4.992 9.540 1.00 0.00 N ATOM 1011 CA VAL A 77 134.050 4.325 9.447 1.00 0.00 C ATOM 1012 C VAL A 77 134.773 4.692 8.154 1.00 0.00 C ATOM 1013 O VAL A 77 134.339 4.326 7.062 1.00 0.00 O ATOM 1014 CB VAL A 77 133.857 2.811 9.510 1.00 0.00 C ATOM 1015 CG1 VAL A 77 135.222 2.122 9.504 1.00 0.00 C ATOM 1016 CG2 VAL A 77 133.108 2.451 10.793 1.00 0.00 C ATOM 0 H VAL A 77 132.126 4.837 8.747 1.00 0.00 H new ATOM 0 HA VAL A 77 134.661 4.659 10.286 1.00 0.00 H new ATOM 0 HB VAL A 77 133.281 2.479 8.646 1.00 0.00 H new ATOM 0 HG11 VAL A 77 135.084 1.042 9.549 1.00 0.00 H new ATOM 0 HG12 VAL A 77 135.757 2.382 8.590 1.00 0.00 H new ATOM 0 HG13 VAL A 77 135.799 2.451 10.368 1.00 0.00 H new ATOM 0 HG21 VAL A 77 132.968 1.371 10.842 1.00 0.00 H new ATOM 0 HG22 VAL A 77 133.685 2.782 11.656 1.00 0.00 H new ATOM 0 HG23 VAL A 77 132.136 2.943 10.797 1.00 0.00 H new ATOM 1020 N PHE A 78 135.855 5.454 8.286 1.00 0.00 N ATOM 1021 CA PHE A 78 136.601 5.906 7.117 1.00 0.00 C ATOM 1022 C PHE A 78 137.347 4.757 6.463 1.00 0.00 C ATOM 1023 O PHE A 78 137.992 3.955 7.134 1.00 0.00 O ATOM 1024 CB PHE A 78 137.596 6.998 7.518 1.00 0.00 C ATOM 1025 CG PHE A 78 136.847 8.227 7.979 1.00 0.00 C ATOM 1026 CD1 PHE A 78 136.486 9.216 7.055 1.00 0.00 C ATOM 1027 CD2 PHE A 78 136.515 8.376 9.330 1.00 0.00 C ATOM 1028 CE1 PHE A 78 135.793 10.355 7.485 1.00 0.00 C ATOM 1029 CE2 PHE A 78 135.822 9.516 9.759 1.00 0.00 C ATOM 1030 CZ PHE A 78 135.461 10.504 8.837 1.00 0.00 C ATOM 0 H PHE A 78 136.231 5.768 9.180 1.00 0.00 H new ATOM 0 HA PHE A 78 135.886 6.307 6.399 1.00 0.00 H new ATOM 0 HB2 PHE A 78 138.246 6.636 8.315 1.00 0.00 H new ATOM 0 HB3 PHE A 78 138.237 7.247 6.672 1.00 0.00 H new ATOM 0 HD1 PHE A 78 136.742 9.101 6.012 1.00 0.00 H new ATOM 0 HD2 PHE A 78 136.793 7.613 10.042 1.00 0.00 H new ATOM 0 HE1 PHE A 78 135.515 11.118 6.773 1.00 0.00 H new ATOM 0 HE2 PHE A 78 135.567 9.632 10.802 1.00 0.00 H new ATOM 0 HZ PHE A 78 134.926 11.382 9.168 1.00 0.00 H new ATOM 1040 N LEU A 79 137.258 4.691 5.141 1.00 0.00 N ATOM 1041 CA LEU A 79 137.938 3.647 4.394 1.00 0.00 C ATOM 1042 C LEU A 79 138.939 4.273 3.432 1.00 0.00 C ATOM 1043 O LEU A 79 138.589 5.152 2.644 1.00 0.00 O ATOM 1044 CB LEU A 79 136.917 2.801 3.622 1.00 0.00 C ATOM 1045 CG LEU A 79 137.583 1.520 3.089 1.00 0.00 C ATOM 1046 CD1 LEU A 79 136.521 0.430 2.928 1.00 0.00 C ATOM 1047 CD2 LEU A 79 138.247 1.777 1.728 1.00 0.00 C ATOM 0 H LEU A 79 136.724 5.345 4.569 1.00 0.00 H new ATOM 0 HA LEU A 79 138.472 2.999 5.089 1.00 0.00 H new ATOM 0 HB2 LEU A 79 136.082 2.542 4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 79 136.508 3.379 2.793 1.00 0.00 H new ATOM 0 HG LEU A 79 138.347 1.204 3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 79 136.988 -0.480 2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 79 136.059 0.227 3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 79 135.759 0.766 2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 79 138.711 0.858 1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 79 137.494 2.105 1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 79 139.008 2.550 1.835 1.00 0.00 H new ATOM 1053 N VAL A 80 140.180 3.820 3.505 1.00 0.00 N ATOM 1054 CA VAL A 80 141.225 4.345 2.638 1.00 0.00 C ATOM 1055 C VAL A 80 141.411 3.433 1.431 1.00 0.00 C ATOM 1056 O VAL A 80 141.486 2.213 1.572 1.00 0.00 O ATOM 1057 CB VAL A 80 142.534 4.444 3.422 1.00 0.00 C ATOM 1058 CG1 VAL A 80 143.583 5.150 2.572 1.00 0.00 C ATOM 1059 CG2 VAL A 80 142.299 5.236 4.710 1.00 0.00 C ATOM 0 H VAL A 80 140.488 3.094 4.152 1.00 0.00 H new ATOM 0 HA VAL A 80 140.937 5.336 2.287 1.00 0.00 H new ATOM 0 HB VAL A 80 142.885 3.443 3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 80 144.516 5.221 3.131 1.00 0.00 H new ATOM 0 HG12 VAL A 80 143.750 4.584 1.656 1.00 0.00 H new ATOM 0 HG13 VAL A 80 143.234 6.151 2.321 1.00 0.00 H new ATOM 0 HG21 VAL A 80 143.232 5.307 5.269 1.00 0.00 H new ATOM 0 HG22 VAL A 80 141.948 6.238 4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 80 141.550 4.729 5.318 1.00 0.00 H new ATOM 1063 N CYS A 81 141.468 4.027 0.241 1.00 0.00 N ATOM 1064 CA CYS A 81 141.626 3.238 -0.977 1.00 0.00 C ATOM 1065 C CYS A 81 142.777 3.754 -1.838 1.00 0.00 C ATOM 1066 O CYS A 81 142.764 4.894 -2.310 1.00 0.00 O ATOM 1067 CB CYS A 81 140.333 3.277 -1.786 1.00 0.00 C ATOM 1068 SG CYS A 81 140.490 2.199 -3.230 1.00 0.00 S ATOM 0 H CYS A 81 141.408 5.035 0.095 1.00 0.00 H new ATOM 0 HA CYS A 81 141.855 2.214 -0.683 1.00 0.00 H new ATOM 0 HB2 CYS A 81 139.495 2.954 -1.168 1.00 0.00 H new ATOM 0 HB3 CYS A 81 140.121 4.298 -2.103 1.00 0.00 H new ATOM 0 HG CYS A 81 139.329 2.064 -3.799 1.00 0.00 H new ATOM 1074 N PHE A 82 143.762 2.891 -2.046 1.00 0.00 N ATOM 1075 CA PHE A 82 144.922 3.229 -2.860 1.00 0.00 C ATOM 1076 C PHE A 82 145.446 1.967 -3.533 1.00 0.00 C ATOM 1077 O PHE A 82 145.202 0.863 -3.056 1.00 0.00 O ATOM 1078 CB PHE A 82 146.017 3.827 -1.974 1.00 0.00 C ATOM 1079 CG PHE A 82 146.538 2.760 -1.043 1.00 0.00 C ATOM 1080 CD1 PHE A 82 145.792 2.390 0.083 1.00 0.00 C ATOM 1081 CD2 PHE A 82 147.763 2.138 -1.307 1.00 0.00 C ATOM 1082 CE1 PHE A 82 146.273 1.397 0.945 1.00 0.00 C ATOM 1083 CE2 PHE A 82 148.244 1.145 -0.445 1.00 0.00 C ATOM 1084 CZ PHE A 82 147.499 0.774 0.681 1.00 0.00 C ATOM 0 H PHE A 82 143.781 1.947 -1.660 1.00 0.00 H new ATOM 0 HA PHE A 82 144.635 3.958 -3.618 1.00 0.00 H new ATOM 0 HB2 PHE A 82 146.827 4.217 -2.590 1.00 0.00 H new ATOM 0 HB3 PHE A 82 145.621 4.665 -1.401 1.00 0.00 H new ATOM 0 HD1 PHE A 82 144.846 2.870 0.286 1.00 0.00 H new ATOM 0 HD2 PHE A 82 148.338 2.424 -2.176 1.00 0.00 H new ATOM 0 HE1 PHE A 82 145.698 1.111 1.814 1.00 0.00 H new ATOM 0 HE2 PHE A 82 149.190 0.665 -0.649 1.00 0.00 H new ATOM 0 HZ PHE A 82 147.870 0.008 1.346 1.00 0.00 H new ATOM 1094 N SER A 83 146.172 2.119 -4.629 1.00 0.00 N ATOM 1095 CA SER A 83 146.712 0.949 -5.308 1.00 0.00 C ATOM 1096 C SER A 83 147.823 0.344 -4.461 1.00 0.00 C ATOM 1097 O SER A 83 148.699 1.059 -3.975 1.00 0.00 O ATOM 1098 CB SER A 83 147.251 1.337 -6.682 1.00 0.00 C ATOM 1099 OG SER A 83 147.748 0.177 -7.338 1.00 0.00 O ATOM 0 H SER A 83 146.398 3.016 -5.060 1.00 0.00 H new ATOM 0 HA SER A 83 145.919 0.214 -5.444 1.00 0.00 H new ATOM 0 HB2 SER A 83 146.462 1.796 -7.278 1.00 0.00 H new ATOM 0 HB3 SER A 83 148.044 2.078 -6.578 1.00 0.00 H new ATOM 0 HG SER A 83 148.093 0.423 -8.221 1.00 0.00 H new ATOM 1105 N VAL A 84 147.781 -0.969 -4.271 1.00 0.00 N ATOM 1106 CA VAL A 84 148.789 -1.637 -3.458 1.00 0.00 C ATOM 1107 C VAL A 84 150.193 -1.357 -3.977 1.00 0.00 C ATOM 1108 O VAL A 84 151.186 -1.693 -3.324 1.00 0.00 O ATOM 1109 CB VAL A 84 148.528 -3.136 -3.452 1.00 0.00 C ATOM 1110 CG1 VAL A 84 149.726 -3.867 -2.845 1.00 0.00 C ATOM 1111 CG2 VAL A 84 147.281 -3.411 -2.616 1.00 0.00 C ATOM 0 H VAL A 84 147.069 -1.586 -4.663 1.00 0.00 H new ATOM 0 HA VAL A 84 148.722 -1.248 -2.442 1.00 0.00 H new ATOM 0 HB VAL A 84 148.378 -3.490 -4.472 1.00 0.00 H new ATOM 0 HG11 VAL A 84 149.535 -4.940 -2.843 1.00 0.00 H new ATOM 0 HG12 VAL A 84 150.617 -3.659 -3.437 1.00 0.00 H new ATOM 0 HG13 VAL A 84 149.881 -3.524 -1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 84 147.081 -4.482 -2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 84 147.441 -3.059 -1.597 1.00 0.00 H new ATOM 0 HG23 VAL A 84 146.429 -2.888 -3.051 1.00 0.00 H new ATOM 1115 N VAL A 85 150.281 -0.739 -5.149 1.00 0.00 N ATOM 1116 CA VAL A 85 151.575 -0.425 -5.734 1.00 0.00 C ATOM 1117 C VAL A 85 151.652 1.056 -6.099 1.00 0.00 C ATOM 1118 O VAL A 85 150.653 1.772 -6.046 1.00 0.00 O ATOM 1119 CB VAL A 85 151.809 -1.291 -6.968 1.00 0.00 C ATOM 1120 CG1 VAL A 85 151.864 -2.759 -6.542 1.00 0.00 C ATOM 1121 CG2 VAL A 85 150.661 -1.093 -7.959 1.00 0.00 C ATOM 0 H VAL A 85 149.478 -0.448 -5.707 1.00 0.00 H new ATOM 0 HA VAL A 85 152.354 -0.636 -5.001 1.00 0.00 H new ATOM 0 HB VAL A 85 152.748 -1.007 -7.443 1.00 0.00 H new ATOM 0 HG11 VAL A 85 152.031 -3.386 -7.418 1.00 0.00 H new ATOM 0 HG12 VAL A 85 152.679 -2.902 -5.833 1.00 0.00 H new ATOM 0 HG13 VAL A 85 150.921 -3.037 -6.071 1.00 0.00 H new ATOM 0 HG21 VAL A 85 150.830 -1.712 -8.840 1.00 0.00 H new ATOM 0 HG22 VAL A 85 149.721 -1.380 -7.488 1.00 0.00 H new ATOM 0 HG23 VAL A 85 150.613 -0.045 -8.256 1.00 0.00 H new ATOM 1125 N SER A 86 152.857 1.503 -6.438 1.00 0.00 N ATOM 1126 CA SER A 86 153.100 2.902 -6.784 1.00 0.00 C ATOM 1127 C SER A 86 151.846 3.611 -7.312 1.00 0.00 C ATOM 1128 O SER A 86 151.331 4.504 -6.651 1.00 0.00 O ATOM 1129 CB SER A 86 154.224 2.994 -7.817 1.00 0.00 C ATOM 1130 OG SER A 86 153.951 4.060 -8.717 1.00 0.00 O ATOM 0 H SER A 86 153.687 0.912 -6.481 1.00 0.00 H new ATOM 0 HA SER A 86 153.392 3.412 -5.866 1.00 0.00 H new ATOM 0 HB2 SER A 86 155.179 3.160 -7.318 1.00 0.00 H new ATOM 0 HB3 SER A 86 154.309 2.055 -8.363 1.00 0.00 H new ATOM 0 HG SER A 86 154.671 4.122 -9.379 1.00 0.00 H new ATOM 1136 N PRO A 87 151.363 3.248 -8.478 1.00 0.00 N ATOM 1137 CA PRO A 87 150.165 3.876 -9.115 1.00 0.00 C ATOM 1138 C PRO A 87 149.152 4.460 -8.124 1.00 0.00 C ATOM 1139 O PRO A 87 148.078 3.896 -7.927 1.00 0.00 O ATOM 1140 CB PRO A 87 149.562 2.711 -9.893 1.00 0.00 C ATOM 1141 CG PRO A 87 150.723 1.843 -10.278 1.00 0.00 C ATOM 1142 CD PRO A 87 151.892 2.180 -9.336 1.00 0.00 C ATOM 0 HA PRO A 87 150.439 4.740 -9.720 1.00 0.00 H new ATOM 0 HB2 PRO A 87 148.846 2.161 -9.283 1.00 0.00 H new ATOM 0 HB3 PRO A 87 149.026 3.063 -10.774 1.00 0.00 H new ATOM 0 HG2 PRO A 87 150.457 0.789 -10.195 1.00 0.00 H new ATOM 0 HG3 PRO A 87 151.005 2.020 -11.316 1.00 0.00 H new ATOM 0 HD2 PRO A 87 152.196 1.312 -8.751 1.00 0.00 H new ATOM 0 HD3 PRO A 87 152.769 2.512 -9.892 1.00 0.00 H new ATOM 1150 N SER A 88 149.508 5.603 -7.529 1.00 0.00 N ATOM 1151 CA SER A 88 148.644 6.296 -6.563 1.00 0.00 C ATOM 1152 C SER A 88 149.492 6.976 -5.503 1.00 0.00 C ATOM 1153 O SER A 88 148.997 7.771 -4.702 1.00 0.00 O ATOM 1154 CB SER A 88 147.688 5.317 -5.880 1.00 0.00 C ATOM 1155 OG SER A 88 147.267 5.866 -4.639 1.00 0.00 O ATOM 0 H SER A 88 150.397 6.073 -7.701 1.00 0.00 H new ATOM 0 HA SER A 88 148.061 7.038 -7.108 1.00 0.00 H new ATOM 0 HB2 SER A 88 146.825 5.127 -6.519 1.00 0.00 H new ATOM 0 HB3 SER A 88 148.183 4.359 -5.719 1.00 0.00 H new ATOM 0 HG SER A 88 147.495 6.819 -4.609 1.00 0.00 H new ATOM 1161 N SER A 89 150.770 6.641 -5.491 1.00 0.00 N ATOM 1162 CA SER A 89 151.677 7.207 -4.513 1.00 0.00 C ATOM 1163 C SER A 89 150.974 7.281 -3.169 1.00 0.00 C ATOM 1164 O SER A 89 150.329 8.274 -2.855 1.00 0.00 O ATOM 1165 CB SER A 89 152.117 8.606 -4.945 1.00 0.00 C ATOM 1166 OG SER A 89 153.357 8.516 -5.633 1.00 0.00 O ATOM 0 H SER A 89 151.199 5.985 -6.143 1.00 0.00 H new ATOM 0 HA SER A 89 152.561 6.574 -4.433 1.00 0.00 H new ATOM 0 HB2 SER A 89 151.362 9.054 -5.590 1.00 0.00 H new ATOM 0 HB3 SER A 89 152.217 9.254 -4.074 1.00 0.00 H new ATOM 0 HG SER A 89 153.641 9.411 -5.913 1.00 0.00 H new ATOM 1172 N PHE A 90 151.092 6.213 -2.393 1.00 0.00 N ATOM 1173 CA PHE A 90 150.457 6.150 -1.083 1.00 0.00 C ATOM 1174 C PHE A 90 150.492 7.520 -0.427 1.00 0.00 C ATOM 1175 O PHE A 90 149.641 7.855 0.396 1.00 0.00 O ATOM 1176 CB PHE A 90 151.189 5.139 -0.200 1.00 0.00 C ATOM 1177 CG PHE A 90 152.562 5.668 0.137 1.00 0.00 C ATOM 1178 CD1 PHE A 90 153.629 5.467 -0.747 1.00 0.00 C ATOM 1179 CD2 PHE A 90 152.767 6.363 1.335 1.00 0.00 C ATOM 1180 CE1 PHE A 90 154.901 5.961 -0.433 1.00 0.00 C ATOM 1181 CE2 PHE A 90 154.038 6.856 1.649 1.00 0.00 C ATOM 1182 CZ PHE A 90 155.106 6.655 0.766 1.00 0.00 C ATOM 0 H PHE A 90 151.621 5.379 -2.647 1.00 0.00 H new ATOM 0 HA PHE A 90 149.420 5.836 -1.205 1.00 0.00 H new ATOM 0 HB2 PHE A 90 150.622 4.960 0.714 1.00 0.00 H new ATOM 0 HB3 PHE A 90 151.272 4.182 -0.716 1.00 0.00 H new ATOM 0 HD1 PHE A 90 153.471 4.931 -1.671 1.00 0.00 H new ATOM 0 HD2 PHE A 90 151.944 6.519 2.017 1.00 0.00 H new ATOM 0 HE1 PHE A 90 155.724 5.807 -1.115 1.00 0.00 H new ATOM 0 HE2 PHE A 90 154.196 7.392 2.573 1.00 0.00 H new ATOM 0 HZ PHE A 90 156.087 7.035 1.009 1.00 0.00 H new ATOM 1192 N GLU A 91 151.485 8.309 -0.811 1.00 0.00 N ATOM 1193 CA GLU A 91 151.639 9.650 -0.276 1.00 0.00 C ATOM 1194 C GLU A 91 150.432 10.512 -0.629 1.00 0.00 C ATOM 1195 O GLU A 91 150.145 11.493 0.055 1.00 0.00 O ATOM 1196 CB GLU A 91 152.911 10.290 -0.835 1.00 0.00 C ATOM 1197 CG GLU A 91 154.129 9.497 -0.358 1.00 0.00 C ATOM 1198 CD GLU A 91 155.410 10.153 -0.861 1.00 0.00 C ATOM 1199 OE1 GLU A 91 155.309 11.056 -1.676 1.00 0.00 O ATOM 1200 OE2 GLU A 91 156.473 9.744 -0.424 1.00 0.00 O ATOM 0 H GLU A 91 152.196 8.041 -1.492 1.00 0.00 H new ATOM 0 HA GLU A 91 151.713 9.582 0.809 1.00 0.00 H new ATOM 0 HB2 GLU A 91 152.876 10.304 -1.924 1.00 0.00 H new ATOM 0 HB3 GLU A 91 152.986 11.326 -0.505 1.00 0.00 H new ATOM 0 HG2 GLU A 91 154.139 9.450 0.731 1.00 0.00 H new ATOM 0 HG3 GLU A 91 154.070 8.471 -0.721 1.00 0.00 H new ATOM 1207 N ASN A 92 149.721 10.152 -1.696 1.00 0.00 N ATOM 1208 CA ASN A 92 148.558 10.923 -2.090 1.00 0.00 C ATOM 1209 C ASN A 92 147.350 10.548 -1.233 1.00 0.00 C ATOM 1210 O ASN A 92 146.638 11.410 -0.723 1.00 0.00 O ATOM 1211 CB ASN A 92 148.237 10.667 -3.563 1.00 0.00 C ATOM 1212 CG ASN A 92 149.394 11.137 -4.438 1.00 0.00 C ATOM 1213 OD1 ASN A 92 150.183 11.985 -4.023 1.00 0.00 O ATOM 1214 ND2 ASN A 92 149.546 10.629 -5.631 1.00 0.00 N ATOM 0 H ASN A 92 149.928 9.348 -2.288 1.00 0.00 H new ATOM 0 HA ASN A 92 148.780 11.980 -1.944 1.00 0.00 H new ATOM 0 HB2 ASN A 92 148.056 9.604 -3.725 1.00 0.00 H new ATOM 0 HB3 ASN A 92 147.323 11.192 -3.841 1.00 0.00 H new ATOM 0 HD21 ASN A 92 150.320 10.935 -6.221 1.00 0.00 H new ATOM 0 HD22 ASN A 92 148.891 9.926 -5.973 1.00 0.00 H new ATOM 1219 N VAL A 93 147.119 9.248 -1.104 1.00 0.00 N ATOM 1220 CA VAL A 93 145.982 8.741 -0.341 1.00 0.00 C ATOM 1221 C VAL A 93 146.196 8.787 1.170 1.00 0.00 C ATOM 1222 O VAL A 93 145.514 9.522 1.885 1.00 0.00 O ATOM 1223 CB VAL A 93 145.724 7.293 -0.747 1.00 0.00 C ATOM 1224 CG1 VAL A 93 144.718 6.677 0.219 1.00 0.00 C ATOM 1225 CG2 VAL A 93 145.177 7.228 -2.177 1.00 0.00 C ATOM 0 H VAL A 93 147.704 8.523 -1.518 1.00 0.00 H new ATOM 0 HA VAL A 93 145.134 9.387 -0.568 1.00 0.00 H new ATOM 0 HB VAL A 93 146.661 6.737 -0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 93 144.528 5.642 -0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 93 145.120 6.708 1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 93 143.786 7.240 0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 93 144.998 6.188 -2.451 1.00 0.00 H new ATOM 0 HG22 VAL A 93 144.241 7.784 -2.234 1.00 0.00 H new ATOM 0 HG23 VAL A 93 145.902 7.665 -2.864 1.00 0.00 H new ATOM 1229 N LYS A 94 147.104 7.954 1.646 1.00 0.00 N ATOM 1230 CA LYS A 94 147.372 7.839 3.074 1.00 0.00 C ATOM 1231 C LYS A 94 147.877 9.134 3.713 1.00 0.00 C ATOM 1232 O LYS A 94 147.903 9.232 4.940 1.00 0.00 O ATOM 1233 CB LYS A 94 148.392 6.726 3.306 1.00 0.00 C ATOM 1234 CG LYS A 94 147.800 5.393 2.843 1.00 0.00 C ATOM 1235 CD LYS A 94 148.783 4.264 3.153 1.00 0.00 C ATOM 1236 CE LYS A 94 148.297 2.973 2.497 1.00 0.00 C ATOM 1237 NZ LYS A 94 149.399 1.970 2.501 1.00 0.00 N ATOM 0 H LYS A 94 147.674 7.342 1.062 1.00 0.00 H new ATOM 0 HA LYS A 94 146.421 7.609 3.553 1.00 0.00 H new ATOM 0 HB2 LYS A 94 149.310 6.939 2.759 1.00 0.00 H new ATOM 0 HB3 LYS A 94 148.655 6.673 4.362 1.00 0.00 H new ATOM 0 HG2 LYS A 94 146.850 5.211 3.345 1.00 0.00 H new ATOM 0 HG3 LYS A 94 147.594 5.426 1.773 1.00 0.00 H new ATOM 0 HD2 LYS A 94 149.776 4.520 2.784 1.00 0.00 H new ATOM 0 HD3 LYS A 94 148.868 4.127 4.231 1.00 0.00 H new ATOM 0 HE2 LYS A 94 147.433 2.582 3.034 1.00 0.00 H new ATOM 0 HE3 LYS A 94 147.974 3.171 1.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 149.009 1.025 2.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 150.091 2.212 1.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 149.867 1.972 3.430 1.00 0.00 H new ATOM 1251 N GLU A 95 148.312 10.110 2.914 1.00 0.00 N ATOM 1252 CA GLU A 95 148.839 11.344 3.508 1.00 0.00 C ATOM 1253 C GLU A 95 148.220 12.626 2.942 1.00 0.00 C ATOM 1254 O GLU A 95 147.857 13.518 3.705 1.00 0.00 O ATOM 1255 CB GLU A 95 150.358 11.395 3.320 1.00 0.00 C ATOM 1256 CG GLU A 95 151.009 10.226 4.065 1.00 0.00 C ATOM 1257 CD GLU A 95 150.760 10.353 5.565 1.00 0.00 C ATOM 1258 OE1 GLU A 95 150.424 11.443 6.000 1.00 0.00 O ATOM 1259 OE2 GLU A 95 150.912 9.360 6.257 1.00 0.00 O ATOM 0 H GLU A 95 148.313 10.078 1.895 1.00 0.00 H new ATOM 0 HA GLU A 95 148.570 11.310 4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 95 150.605 11.346 2.259 1.00 0.00 H new ATOM 0 HB3 GLU A 95 150.749 12.341 3.695 1.00 0.00 H new ATOM 0 HG2 GLU A 95 150.604 9.282 3.700 1.00 0.00 H new ATOM 0 HG3 GLU A 95 152.081 10.211 3.867 1.00 0.00 H new ATOM 1266 N LYS A 96 148.143 12.754 1.623 1.00 0.00 N ATOM 1267 CA LYS A 96 147.605 13.985 1.034 1.00 0.00 C ATOM 1268 C LYS A 96 146.078 14.054 1.089 1.00 0.00 C ATOM 1269 O LYS A 96 145.509 15.135 1.266 1.00 0.00 O ATOM 1270 CB LYS A 96 148.052 14.124 -0.423 1.00 0.00 C ATOM 1271 CG LYS A 96 147.890 15.579 -0.877 1.00 0.00 C ATOM 1272 CD LYS A 96 149.118 16.396 -0.464 1.00 0.00 C ATOM 1273 CE LYS A 96 149.032 17.791 -1.083 1.00 0.00 C ATOM 1274 NZ LYS A 96 147.628 18.282 -1.004 1.00 0.00 N ATOM 0 H LYS A 96 148.436 12.044 0.952 1.00 0.00 H new ATOM 0 HA LYS A 96 148.001 14.805 1.634 1.00 0.00 H new ATOM 0 HB2 LYS A 96 149.092 13.815 -0.525 1.00 0.00 H new ATOM 0 HB3 LYS A 96 147.460 13.466 -1.059 1.00 0.00 H new ATOM 0 HG2 LYS A 96 147.763 15.619 -1.959 1.00 0.00 H new ATOM 0 HG3 LYS A 96 146.991 16.009 -0.435 1.00 0.00 H new ATOM 0 HD2 LYS A 96 149.170 16.471 0.622 1.00 0.00 H new ATOM 0 HD3 LYS A 96 150.029 15.896 -0.793 1.00 0.00 H new ATOM 0 HE2 LYS A 96 149.698 18.475 -0.558 1.00 0.00 H new ATOM 0 HE3 LYS A 96 149.360 17.761 -2.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 147.613 19.314 -1.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 147.060 17.832 -1.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 147.229 18.044 -0.074 1.00 0.00 H new ATOM 1288 N TRP A 97 145.404 12.919 0.930 1.00 0.00 N ATOM 1289 CA TRP A 97 143.945 12.932 0.948 1.00 0.00 C ATOM 1290 C TRP A 97 143.376 12.512 2.306 1.00 0.00 C ATOM 1291 O TRP A 97 142.231 12.838 2.621 1.00 0.00 O ATOM 1292 CB TRP A 97 143.390 12.032 -0.162 1.00 0.00 C ATOM 1293 CG TRP A 97 143.879 12.524 -1.492 1.00 0.00 C ATOM 1294 CD1 TRP A 97 144.659 11.818 -2.344 1.00 0.00 C ATOM 1295 CD2 TRP A 97 143.639 13.812 -2.137 1.00 0.00 C ATOM 1296 NE1 TRP A 97 144.930 12.591 -3.455 1.00 0.00 N ATOM 1297 CE2 TRP A 97 144.320 13.826 -3.380 1.00 0.00 C ATOM 1298 CE3 TRP A 97 142.910 14.959 -1.771 1.00 0.00 C ATOM 1299 CZ2 TRP A 97 144.279 14.935 -4.225 1.00 0.00 C ATOM 1300 CZ3 TRP A 97 142.866 16.077 -2.621 1.00 0.00 C ATOM 1301 CH2 TRP A 97 143.549 16.064 -3.846 1.00 0.00 C ATOM 0 H TRP A 97 145.830 12.003 0.791 1.00 0.00 H new ATOM 0 HA TRP A 97 143.630 13.960 0.770 1.00 0.00 H new ATOM 0 HB2 TRP A 97 143.708 11.002 -0.003 1.00 0.00 H new ATOM 0 HB3 TRP A 97 142.300 12.036 -0.138 1.00 0.00 H new ATOM 0 HD1 TRP A 97 145.013 10.811 -2.181 1.00 0.00 H new ATOM 0 HE1 TRP A 97 145.511 12.286 -4.236 1.00 0.00 H new ATOM 0 HE3 TRP A 97 142.381 14.980 -0.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 144.808 14.921 -5.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 142.303 16.951 -2.329 1.00 0.00 H new ATOM 0 HH2 TRP A 97 143.511 16.926 -4.496 1.00 0.00 H new ATOM 1312 N VAL A 98 144.161 11.803 3.117 1.00 0.00 N ATOM 1313 CA VAL A 98 143.673 11.385 4.428 1.00 0.00 C ATOM 1314 C VAL A 98 143.304 12.608 5.260 1.00 0.00 C ATOM 1315 O VAL A 98 142.280 12.621 5.941 1.00 0.00 O ATOM 1316 CB VAL A 98 144.724 10.525 5.151 1.00 0.00 C ATOM 1317 CG1 VAL A 98 144.962 11.043 6.577 1.00 0.00 C ATOM 1318 CG2 VAL A 98 144.221 9.081 5.225 1.00 0.00 C ATOM 0 H VAL A 98 145.114 11.513 2.896 1.00 0.00 H new ATOM 0 HA VAL A 98 142.780 10.775 4.292 1.00 0.00 H new ATOM 0 HB VAL A 98 145.661 10.576 4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 98 145.709 10.421 7.070 1.00 0.00 H new ATOM 0 HG12 VAL A 98 145.318 12.072 6.536 1.00 0.00 H new ATOM 0 HG13 VAL A 98 144.029 11.004 7.139 1.00 0.00 H new ATOM 0 HG21 VAL A 98 144.960 8.464 5.736 1.00 0.00 H new ATOM 0 HG22 VAL A 98 143.280 9.051 5.775 1.00 0.00 H new ATOM 0 HG23 VAL A 98 144.064 8.698 4.217 1.00 0.00 H new ATOM 1322 N PRO A 99 144.112 13.634 5.210 1.00 0.00 N ATOM 1323 CA PRO A 99 143.862 14.890 5.963 1.00 0.00 C ATOM 1324 C PRO A 99 142.688 15.659 5.374 1.00 0.00 C ATOM 1325 O PRO A 99 141.887 16.244 6.102 1.00 0.00 O ATOM 1326 CB PRO A 99 145.164 15.691 5.825 1.00 0.00 C ATOM 1327 CG PRO A 99 146.149 14.790 5.149 1.00 0.00 C ATOM 1328 CD PRO A 99 145.342 13.715 4.428 1.00 0.00 C ATOM 0 HA PRO A 99 143.603 14.698 7.004 1.00 0.00 H new ATOM 0 HB2 PRO A 99 145.002 16.596 5.240 1.00 0.00 H new ATOM 0 HB3 PRO A 99 145.532 16.004 6.802 1.00 0.00 H new ATOM 0 HG2 PRO A 99 146.764 15.349 4.444 1.00 0.00 H new ATOM 0 HG3 PRO A 99 146.826 14.342 5.877 1.00 0.00 H new ATOM 0 HD2 PRO A 99 145.142 13.989 3.392 1.00 0.00 H new ATOM 0 HD3 PRO A 99 145.870 12.761 4.409 1.00 0.00 H new ATOM 1336 N GLU A 100 142.592 15.651 4.045 1.00 0.00 N ATOM 1337 CA GLU A 100 141.507 16.352 3.370 1.00 0.00 C ATOM 1338 C GLU A 100 140.152 15.814 3.827 1.00 0.00 C ATOM 1339 O GLU A 100 139.203 16.576 4.008 1.00 0.00 O ATOM 1340 CB GLU A 100 141.642 16.184 1.856 1.00 0.00 C ATOM 1341 CG GLU A 100 140.598 17.052 1.149 1.00 0.00 C ATOM 1342 CD GLU A 100 140.937 18.528 1.332 1.00 0.00 C ATOM 1343 OE1 GLU A 100 142.102 18.827 1.545 1.00 0.00 O ATOM 1344 OE2 GLU A 100 140.029 19.338 1.255 1.00 0.00 O ATOM 0 H GLU A 100 143.244 15.173 3.424 1.00 0.00 H new ATOM 0 HA GLU A 100 141.568 17.410 3.626 1.00 0.00 H new ATOM 0 HB2 GLU A 100 142.644 16.469 1.536 1.00 0.00 H new ATOM 0 HB3 GLU A 100 141.506 15.138 1.582 1.00 0.00 H new ATOM 0 HG2 GLU A 100 140.567 16.806 0.088 1.00 0.00 H new ATOM 0 HG3 GLU A 100 139.607 16.845 1.553 1.00 0.00 H new ATOM 1351 N ILE A 101 140.068 14.497 4.015 1.00 0.00 N ATOM 1352 CA ILE A 101 138.818 13.882 4.453 1.00 0.00 C ATOM 1353 C ILE A 101 138.690 13.933 5.975 1.00 0.00 C ATOM 1354 O ILE A 101 137.590 14.073 6.509 1.00 0.00 O ATOM 1355 CB ILE A 101 138.740 12.430 3.961 1.00 0.00 C ATOM 1356 CG1 ILE A 101 139.817 11.577 4.644 1.00 0.00 C ATOM 1357 CG2 ILE A 101 138.956 12.395 2.446 1.00 0.00 C ATOM 1358 CD1 ILE A 101 139.653 10.111 4.228 1.00 0.00 C ATOM 0 H ILE A 101 140.839 13.845 3.873 1.00 0.00 H new ATOM 0 HA ILE A 101 137.990 14.446 4.022 1.00 0.00 H new ATOM 0 HB ILE A 101 137.758 12.027 4.207 1.00 0.00 H new ATOM 0 HG12 ILE A 101 140.809 11.935 4.367 1.00 0.00 H new ATOM 0 HG13 ILE A 101 139.736 11.669 5.727 1.00 0.00 H new ATOM 0 HG21 ILE A 101 138.901 11.365 2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 101 138.184 12.988 1.955 1.00 0.00 H new ATOM 0 HG23 ILE A 101 139.937 12.808 2.209 1.00 0.00 H new ATOM 0 HD11 ILE A 101 140.419 9.507 4.714 1.00 0.00 H new ATOM 0 HD12 ILE A 101 138.667 9.756 4.527 1.00 0.00 H new ATOM 0 HD13 ILE A 101 139.756 10.026 3.146 1.00 0.00 H new ATOM 1362 N THR A 102 139.820 13.818 6.668 1.00 0.00 N ATOM 1363 CA THR A 102 139.817 13.852 8.129 1.00 0.00 C ATOM 1364 C THR A 102 139.255 15.175 8.645 1.00 0.00 C ATOM 1365 O THR A 102 138.568 15.211 9.665 1.00 0.00 O ATOM 1366 CB THR A 102 141.235 13.659 8.667 1.00 0.00 C ATOM 1367 OG1 THR A 102 141.765 12.436 8.175 1.00 0.00 O ATOM 1368 CG2 THR A 102 141.205 13.627 10.196 1.00 0.00 C ATOM 0 H THR A 102 140.742 13.701 6.247 1.00 0.00 H new ATOM 0 HA THR A 102 139.181 13.040 8.480 1.00 0.00 H new ATOM 0 HB THR A 102 141.864 14.486 8.337 1.00 0.00 H new ATOM 0 HG1 THR A 102 142.379 12.620 7.434 1.00 0.00 H new ATOM 0 HG21 THR A 102 142.217 13.489 10.577 1.00 0.00 H new ATOM 0 HG22 THR A 102 140.801 14.567 10.572 1.00 0.00 H new ATOM 0 HG23 THR A 102 140.576 12.802 10.530 1.00 0.00 H new ATOM 1373 N HIS A 103 139.561 16.260 7.943 1.00 0.00 N ATOM 1374 CA HIS A 103 139.088 17.581 8.349 1.00 0.00 C ATOM 1375 C HIS A 103 137.583 17.574 8.607 1.00 0.00 C ATOM 1376 O HIS A 103 137.089 18.311 9.460 1.00 0.00 O ATOM 1377 CB HIS A 103 139.412 18.610 7.264 1.00 0.00 C ATOM 1378 CG HIS A 103 140.904 18.752 7.134 1.00 0.00 C ATOM 1379 ND1 HIS A 103 141.561 18.572 5.926 1.00 0.00 N ATOM 1380 CD2 HIS A 103 141.881 19.058 8.049 1.00 0.00 C ATOM 1381 CE1 HIS A 103 142.874 18.768 6.145 1.00 0.00 C ATOM 1382 NE2 HIS A 103 143.124 19.068 7.422 1.00 0.00 N ATOM 0 H HIS A 103 140.130 16.254 7.096 1.00 0.00 H new ATOM 0 HA HIS A 103 139.597 17.849 9.275 1.00 0.00 H new ATOM 0 HB2 HIS A 103 138.982 18.298 6.312 1.00 0.00 H new ATOM 0 HB3 HIS A 103 138.965 19.572 7.516 1.00 0.00 H new ATOM 0 HD2 HIS A 103 141.711 19.260 9.096 1.00 0.00 H new ATOM 0 HE1 HIS A 103 143.633 18.692 5.381 1.00 0.00 H new ATOM 0 HE2 HIS A 103 144.031 19.263 7.847 1.00 0.00 H new ATOM 1390 N HIS A 104 136.856 16.750 7.860 1.00 0.00 N ATOM 1391 CA HIS A 104 135.407 16.676 8.016 1.00 0.00 C ATOM 1392 C HIS A 104 135.017 16.358 9.458 1.00 0.00 C ATOM 1393 O HIS A 104 134.114 16.984 10.014 1.00 0.00 O ATOM 1394 CB HIS A 104 134.835 15.602 7.089 1.00 0.00 C ATOM 1395 CG HIS A 104 133.340 15.550 7.250 1.00 0.00 C ATOM 1396 ND1 HIS A 104 132.721 14.640 8.092 1.00 0.00 N ATOM 1397 CD2 HIS A 104 132.331 16.290 6.689 1.00 0.00 C ATOM 1398 CE1 HIS A 104 131.394 14.853 8.013 1.00 0.00 C ATOM 1399 NE2 HIS A 104 131.102 15.848 7.172 1.00 0.00 N ATOM 0 H HIS A 104 137.241 16.130 7.147 1.00 0.00 H new ATOM 0 HA HIS A 104 134.995 17.650 7.754 1.00 0.00 H new ATOM 0 HB2 HIS A 104 135.093 15.824 6.054 1.00 0.00 H new ATOM 0 HB3 HIS A 104 135.272 14.632 7.325 1.00 0.00 H new ATOM 0 HD2 HIS A 104 132.469 17.093 5.980 1.00 0.00 H new ATOM 0 HE1 HIS A 104 130.656 14.288 8.563 1.00 0.00 H new ATOM 0 HE2 HIS A 104 130.177 16.207 6.934 1.00 0.00 H new ATOM 1407 N CYS A 105 135.690 15.382 10.060 1.00 0.00 N ATOM 1408 CA CYS A 105 135.384 14.998 11.435 1.00 0.00 C ATOM 1409 C CYS A 105 136.654 14.618 12.192 1.00 0.00 C ATOM 1410 O CYS A 105 137.681 14.308 11.587 1.00 0.00 O ATOM 1411 CB CYS A 105 134.411 13.816 11.438 1.00 0.00 C ATOM 1412 SG CYS A 105 135.107 12.462 12.418 1.00 0.00 S ATOM 0 H CYS A 105 136.442 14.848 9.624 1.00 0.00 H new ATOM 0 HA CYS A 105 134.927 15.852 11.935 1.00 0.00 H new ATOM 0 HB2 CYS A 105 133.451 14.123 11.853 1.00 0.00 H new ATOM 0 HB3 CYS A 105 134.225 13.482 10.417 1.00 0.00 H new ATOM 0 HG CYS A 105 136.369 12.327 12.137 1.00 0.00 H new ATOM 1418 N PRO A 106 136.598 14.630 13.499 1.00 0.00 N ATOM 1419 CA PRO A 106 137.759 14.275 14.363 1.00 0.00 C ATOM 1420 C PRO A 106 138.352 12.919 13.992 1.00 0.00 C ATOM 1421 O PRO A 106 137.724 12.126 13.291 1.00 0.00 O ATOM 1422 CB PRO A 106 137.188 14.253 15.789 1.00 0.00 C ATOM 1423 CG PRO A 106 135.701 14.344 15.650 1.00 0.00 C ATOM 1424 CD PRO A 106 135.419 14.986 14.295 1.00 0.00 C ATOM 0 HA PRO A 106 138.576 14.988 14.250 1.00 0.00 H new ATOM 0 HB2 PRO A 106 137.474 13.338 16.308 1.00 0.00 H new ATOM 0 HB3 PRO A 106 137.575 15.086 16.375 1.00 0.00 H new ATOM 0 HG2 PRO A 106 135.247 13.355 15.710 1.00 0.00 H new ATOM 0 HG3 PRO A 106 135.274 14.941 16.456 1.00 0.00 H new ATOM 0 HD2 PRO A 106 134.502 14.599 13.850 1.00 0.00 H new ATOM 0 HD3 PRO A 106 135.302 16.066 14.379 1.00 0.00 H new ATOM 1432 N LYS A 107 139.571 12.663 14.458 1.00 0.00 N ATOM 1433 CA LYS A 107 140.242 11.404 14.159 1.00 0.00 C ATOM 1434 C LYS A 107 139.497 10.230 14.784 1.00 0.00 C ATOM 1435 O LYS A 107 139.151 10.255 15.966 1.00 0.00 O ATOM 1436 CB LYS A 107 141.674 11.438 14.693 1.00 0.00 C ATOM 1437 CG LYS A 107 142.470 12.514 13.953 1.00 0.00 C ATOM 1438 CD LYS A 107 143.929 12.473 14.410 1.00 0.00 C ATOM 1439 CE LYS A 107 144.701 13.623 13.762 1.00 0.00 C ATOM 1440 NZ LYS A 107 144.043 14.915 14.107 1.00 0.00 N ATOM 0 H LYS A 107 140.110 13.305 15.039 1.00 0.00 H new ATOM 0 HA LYS A 107 140.256 11.274 13.077 1.00 0.00 H new ATOM 0 HB2 LYS A 107 141.669 11.646 15.763 1.00 0.00 H new ATOM 0 HB3 LYS A 107 142.146 10.465 14.559 1.00 0.00 H new ATOM 0 HG2 LYS A 107 142.410 12.351 12.877 1.00 0.00 H new ATOM 0 HG3 LYS A 107 142.043 13.497 14.150 1.00 0.00 H new ATOM 0 HD2 LYS A 107 143.983 12.551 15.496 1.00 0.00 H new ATOM 0 HD3 LYS A 107 144.380 11.519 14.136 1.00 0.00 H new ATOM 0 HE2 LYS A 107 145.734 13.624 14.109 1.00 0.00 H new ATOM 0 HE3 LYS A 107 144.729 13.493 12.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 144.766 15.654 14.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 143.388 15.185 13.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 143.515 14.809 14.996 1.00 0.00 H new ATOM 1454 N THR A 108 139.260 9.199 13.980 1.00 0.00 N ATOM 1455 CA THR A 108 138.561 8.011 14.456 1.00 0.00 C ATOM 1456 C THR A 108 139.059 6.773 13.711 1.00 0.00 C ATOM 1457 O THR A 108 139.648 6.888 12.637 1.00 0.00 O ATOM 1458 CB THR A 108 137.054 8.175 14.239 1.00 0.00 C ATOM 1459 OG1 THR A 108 136.826 9.191 13.273 1.00 0.00 O ATOM 1460 CG2 THR A 108 136.385 8.564 15.559 1.00 0.00 C ATOM 0 H THR A 108 139.540 9.162 13.000 1.00 0.00 H new ATOM 0 HA THR A 108 138.760 7.887 15.520 1.00 0.00 H new ATOM 0 HB THR A 108 136.633 7.234 13.885 1.00 0.00 H new ATOM 0 HG1 THR A 108 135.862 9.297 13.131 1.00 0.00 H new ATOM 0 HG21 THR A 108 135.313 8.680 15.403 1.00 0.00 H new ATOM 0 HG22 THR A 108 136.561 7.784 16.300 1.00 0.00 H new ATOM 0 HG23 THR A 108 136.804 9.505 15.916 1.00 0.00 H new ATOM 1465 N PRO A 109 138.832 5.599 14.247 1.00 0.00 N ATOM 1466 CA PRO A 109 139.269 4.330 13.598 1.00 0.00 C ATOM 1467 C PRO A 109 138.921 4.303 12.111 1.00 0.00 C ATOM 1468 O PRO A 109 137.894 4.849 11.689 1.00 0.00 O ATOM 1469 CB PRO A 109 138.494 3.249 14.354 1.00 0.00 C ATOM 1470 CG PRO A 109 138.186 3.832 15.693 1.00 0.00 C ATOM 1471 CD PRO A 109 138.142 5.351 15.525 1.00 0.00 C ATOM 0 HA PRO A 109 140.350 4.196 13.644 1.00 0.00 H new ATOM 0 HB2 PRO A 109 137.580 2.981 13.825 1.00 0.00 H new ATOM 0 HB3 PRO A 109 139.086 2.339 14.450 1.00 0.00 H new ATOM 0 HG2 PRO A 109 137.232 3.458 16.065 1.00 0.00 H new ATOM 0 HG3 PRO A 109 138.946 3.547 16.421 1.00 0.00 H new ATOM 0 HD2 PRO A 109 137.116 5.718 15.500 1.00 0.00 H new ATOM 0 HD3 PRO A 109 138.642 5.857 16.351 1.00 0.00 H new ATOM 1479 N PHE A 110 139.774 3.668 11.312 1.00 0.00 N ATOM 1480 CA PHE A 110 139.515 3.599 9.881 1.00 0.00 C ATOM 1481 C PHE A 110 140.027 2.301 9.278 1.00 0.00 C ATOM 1482 O PHE A 110 140.929 1.662 9.814 1.00 0.00 O ATOM 1483 CB PHE A 110 140.158 4.788 9.163 1.00 0.00 C ATOM 1484 CG PHE A 110 141.668 4.729 9.259 1.00 0.00 C ATOM 1485 CD1 PHE A 110 142.399 3.835 8.460 1.00 0.00 C ATOM 1486 CD2 PHE A 110 142.342 5.604 10.119 1.00 0.00 C ATOM 1487 CE1 PHE A 110 143.798 3.821 8.528 1.00 0.00 C ATOM 1488 CE2 PHE A 110 143.739 5.581 10.191 1.00 0.00 C ATOM 1489 CZ PHE A 110 144.467 4.692 9.394 1.00 0.00 C ATOM 0 H PHE A 110 140.629 3.205 11.622 1.00 0.00 H new ATOM 0 HA PHE A 110 138.434 3.633 9.746 1.00 0.00 H new ATOM 0 HB2 PHE A 110 139.857 4.791 8.115 1.00 0.00 H new ATOM 0 HB3 PHE A 110 139.798 5.719 9.601 1.00 0.00 H new ATOM 0 HD1 PHE A 110 141.883 3.159 7.794 1.00 0.00 H new ATOM 0 HD2 PHE A 110 141.782 6.298 10.728 1.00 0.00 H new ATOM 0 HE1 PHE A 110 144.361 3.137 7.911 1.00 0.00 H new ATOM 0 HE2 PHE A 110 144.256 6.250 10.863 1.00 0.00 H new ATOM 0 HZ PHE A 110 145.546 4.678 9.447 1.00 0.00 H new ATOM 1499 N LEU A 111 139.446 1.929 8.146 1.00 0.00 N ATOM 1500 CA LEU A 111 139.859 0.705 7.457 1.00 0.00 C ATOM 1501 C LEU A 111 140.848 1.024 6.338 1.00 0.00 C ATOM 1502 O LEU A 111 140.565 1.839 5.460 1.00 0.00 O ATOM 1503 CB LEU A 111 138.637 -0.025 6.875 1.00 0.00 C ATOM 1504 CG LEU A 111 138.026 -0.974 7.920 1.00 0.00 C ATOM 1505 CD1 LEU A 111 137.276 -0.172 8.986 1.00 0.00 C ATOM 1506 CD2 LEU A 111 137.044 -1.926 7.228 1.00 0.00 C ATOM 0 H LEU A 111 138.697 2.446 7.687 1.00 0.00 H new ATOM 0 HA LEU A 111 140.347 0.057 8.185 1.00 0.00 H new ATOM 0 HB2 LEU A 111 137.890 0.702 6.555 1.00 0.00 H new ATOM 0 HB3 LEU A 111 138.931 -0.590 5.990 1.00 0.00 H new ATOM 0 HG LEU A 111 138.827 -1.542 8.394 1.00 0.00 H new ATOM 0 HD11 LEU A 111 136.848 -0.854 9.720 1.00 0.00 H new ATOM 0 HD12 LEU A 111 137.967 0.508 9.483 1.00 0.00 H new ATOM 0 HD13 LEU A 111 136.478 0.402 8.515 1.00 0.00 H new ATOM 0 HD21 LEU A 111 136.609 -2.600 7.966 1.00 0.00 H new ATOM 0 HD22 LEU A 111 136.251 -1.348 6.753 1.00 0.00 H new ATOM 0 HD23 LEU A 111 137.572 -2.508 6.472 1.00 0.00 H new ATOM 1512 N LEU A 112 142.008 0.366 6.373 1.00 0.00 N ATOM 1513 CA LEU A 112 143.029 0.582 5.350 1.00 0.00 C ATOM 1514 C LEU A 112 142.906 -0.491 4.278 1.00 0.00 C ATOM 1515 O LEU A 112 142.963 -1.688 4.574 1.00 0.00 O ATOM 1516 CB LEU A 112 144.425 0.531 5.973 1.00 0.00 C ATOM 1517 CG LEU A 112 145.459 1.044 4.968 1.00 0.00 C ATOM 1518 CD1 LEU A 112 145.372 2.569 4.861 1.00 0.00 C ATOM 1519 CD2 LEU A 112 146.860 0.650 5.440 1.00 0.00 C ATOM 0 H LEU A 112 142.261 -0.313 7.091 1.00 0.00 H new ATOM 0 HA LEU A 112 142.881 1.565 4.903 1.00 0.00 H new ATOM 0 HB2 LEU A 112 144.452 1.138 6.878 1.00 0.00 H new ATOM 0 HB3 LEU A 112 144.665 -0.491 6.267 1.00 0.00 H new ATOM 0 HG LEU A 112 145.259 0.604 3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 112 146.111 2.926 4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 112 144.375 2.854 4.526 1.00 0.00 H new ATOM 0 HD13 LEU A 112 145.568 3.014 5.836 1.00 0.00 H new ATOM 0 HD21 LEU A 112 147.600 1.014 4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 112 147.052 1.091 6.418 1.00 0.00 H new ATOM 0 HD23 LEU A 112 146.928 -0.436 5.512 1.00 0.00 H new ATOM 1525 N VAL A 113 142.717 -0.062 3.039 1.00 0.00 N ATOM 1526 CA VAL A 113 142.554 -1.007 1.944 1.00 0.00 C ATOM 1527 C VAL A 113 143.468 -0.675 0.771 1.00 0.00 C ATOM 1528 O VAL A 113 143.790 0.488 0.526 1.00 0.00 O ATOM 1529 CB VAL A 113 141.097 -0.998 1.482 1.00 0.00 C ATOM 1530 CG1 VAL A 113 140.825 -2.228 0.619 1.00 0.00 C ATOM 1531 CG2 VAL A 113 140.177 -1.024 2.703 1.00 0.00 C ATOM 0 H VAL A 113 142.673 0.920 2.769 1.00 0.00 H new ATOM 0 HA VAL A 113 142.828 -1.998 2.307 1.00 0.00 H new ATOM 0 HB VAL A 113 140.908 -0.096 0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 113 139.786 -2.220 0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 113 141.481 -2.214 -0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 113 141.014 -3.130 1.201 1.00 0.00 H new ATOM 0 HG21 VAL A 113 139.137 -1.018 2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 113 140.369 -1.926 3.284 1.00 0.00 H new ATOM 0 HG23 VAL A 113 140.368 -0.147 3.321 1.00 0.00 H new ATOM 1535 N GLY A 114 143.859 -1.709 0.034 1.00 0.00 N ATOM 1536 CA GLY A 114 144.711 -1.532 -1.133 1.00 0.00 C ATOM 1537 C GLY A 114 144.023 -2.105 -2.374 1.00 0.00 C ATOM 1538 O GLY A 114 143.147 -2.962 -2.251 1.00 0.00 O ATOM 0 H GLY A 114 143.599 -2.677 0.225 1.00 0.00 H new ATOM 0 HA2 GLY A 114 144.924 -0.473 -1.281 1.00 0.00 H new ATOM 0 HA3 GLY A 114 145.667 -2.030 -0.974 1.00 0.00 H new ATOM 1542 N THR A 115 144.406 -1.632 -3.563 1.00 0.00 N ATOM 1543 CA THR A 115 143.782 -2.127 -4.793 1.00 0.00 C ATOM 1544 C THR A 115 144.797 -2.787 -5.723 1.00 0.00 C ATOM 1545 O THR A 115 146.008 -2.662 -5.547 1.00 0.00 O ATOM 1546 CB THR A 115 143.083 -0.998 -5.552 1.00 0.00 C ATOM 1547 OG1 THR A 115 143.987 -0.431 -6.486 1.00 0.00 O ATOM 1548 CG2 THR A 115 142.603 0.077 -4.577 1.00 0.00 C ATOM 0 H THR A 115 145.127 -0.924 -3.700 1.00 0.00 H new ATOM 0 HA THR A 115 143.048 -2.872 -4.485 1.00 0.00 H new ATOM 0 HB THR A 115 142.219 -1.402 -6.079 1.00 0.00 H new ATOM 0 HG1 THR A 115 144.148 0.508 -6.256 1.00 0.00 H new ATOM 0 HG21 THR A 115 142.107 0.875 -5.130 1.00 0.00 H new ATOM 0 HG22 THR A 115 141.902 -0.362 -3.867 1.00 0.00 H new ATOM 0 HG23 THR A 115 143.457 0.486 -4.037 1.00 0.00 H new ATOM 1553 N GLN A 116 144.265 -3.481 -6.726 1.00 0.00 N ATOM 1554 CA GLN A 116 145.080 -4.170 -7.730 1.00 0.00 C ATOM 1555 C GLN A 116 146.154 -5.063 -7.109 1.00 0.00 C ATOM 1556 O GLN A 116 147.155 -5.354 -7.768 1.00 0.00 O ATOM 1557 CB GLN A 116 145.750 -3.145 -8.641 1.00 0.00 C ATOM 1558 CG GLN A 116 144.680 -2.345 -9.382 1.00 0.00 C ATOM 1559 CD GLN A 116 143.906 -3.269 -10.318 1.00 0.00 C ATOM 1560 OE1 GLN A 116 144.494 -3.892 -11.201 1.00 0.00 O ATOM 1561 NE2 GLN A 116 142.618 -3.399 -10.171 1.00 0.00 N ATOM 0 H GLN A 116 143.260 -3.583 -6.868 1.00 0.00 H new ATOM 0 HA GLN A 116 144.407 -4.811 -8.299 1.00 0.00 H new ATOM 0 HB2 GLN A 116 146.378 -2.475 -8.053 1.00 0.00 H new ATOM 0 HB3 GLN A 116 146.402 -3.648 -9.355 1.00 0.00 H new ATOM 0 HG2 GLN A 116 143.999 -1.881 -8.668 1.00 0.00 H new ATOM 0 HG3 GLN A 116 145.143 -1.539 -9.951 1.00 0.00 H new ATOM 0 HE21 GLN A 116 142.134 -2.881 -9.438 1.00 0.00 H new ATOM 0 HE22 GLN A 116 142.094 -4.019 -10.789 1.00 0.00 H new ATOM 1568 N ILE A 117 145.940 -5.517 -5.863 1.00 0.00 N ATOM 1569 CA ILE A 117 146.915 -6.381 -5.192 1.00 0.00 C ATOM 1570 C ILE A 117 148.330 -6.050 -5.680 1.00 0.00 C ATOM 1571 O ILE A 117 148.581 -4.942 -6.152 1.00 0.00 O ATOM 1572 CB ILE A 117 146.562 -7.860 -5.439 1.00 0.00 C ATOM 1573 CG1 ILE A 117 147.013 -8.704 -4.239 1.00 0.00 C ATOM 1574 CG2 ILE A 117 147.229 -8.384 -6.717 1.00 0.00 C ATOM 1575 CD1 ILE A 117 146.661 -10.172 -4.485 1.00 0.00 C ATOM 0 H ILE A 117 145.111 -5.302 -5.309 1.00 0.00 H new ATOM 0 HA ILE A 117 146.882 -6.204 -4.117 1.00 0.00 H new ATOM 0 HB ILE A 117 145.482 -7.937 -5.562 1.00 0.00 H new ATOM 0 HG12 ILE A 117 148.087 -8.597 -4.089 1.00 0.00 H new ATOM 0 HG13 ILE A 117 146.528 -8.350 -3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 117 146.961 -9.430 -6.864 1.00 0.00 H new ATOM 0 HG22 ILE A 117 146.889 -7.798 -7.571 1.00 0.00 H new ATOM 0 HG23 ILE A 117 148.312 -8.296 -6.625 1.00 0.00 H new ATOM 0 HD11 ILE A 117 146.982 -10.771 -3.632 1.00 0.00 H new ATOM 0 HD12 ILE A 117 145.583 -10.271 -4.613 1.00 0.00 H new ATOM 0 HD13 ILE A 117 147.167 -10.522 -5.385 1.00 0.00 H new ATOM 1579 N ASP A 118 149.254 -6.994 -5.577 1.00 0.00 N ATOM 1580 CA ASP A 118 150.614 -6.761 -6.032 1.00 0.00 C ATOM 1581 C ASP A 118 150.960 -7.784 -7.104 1.00 0.00 C ATOM 1582 O ASP A 118 152.116 -8.176 -7.265 1.00 0.00 O ATOM 1583 CB ASP A 118 151.597 -6.872 -4.863 1.00 0.00 C ATOM 1584 CG ASP A 118 151.613 -8.297 -4.317 1.00 0.00 C ATOM 1585 OD1 ASP A 118 151.058 -9.168 -4.967 1.00 0.00 O ATOM 1586 OD2 ASP A 118 152.183 -8.497 -3.258 1.00 0.00 O ATOM 0 H ASP A 118 149.088 -7.921 -5.185 1.00 0.00 H new ATOM 0 HA ASP A 118 150.688 -5.755 -6.445 1.00 0.00 H new ATOM 0 HB2 ASP A 118 152.597 -6.590 -5.192 1.00 0.00 H new ATOM 0 HB3 ASP A 118 151.314 -6.176 -4.073 1.00 0.00 H new ATOM 1591 N LEU A 119 149.931 -8.218 -7.822 1.00 0.00 N ATOM 1592 CA LEU A 119 150.092 -9.209 -8.875 1.00 0.00 C ATOM 1593 C LEU A 119 149.268 -8.815 -10.094 1.00 0.00 C ATOM 1594 O LEU A 119 149.712 -8.980 -11.228 1.00 0.00 O ATOM 1595 CB LEU A 119 149.643 -10.585 -8.374 1.00 0.00 C ATOM 1596 CG LEU A 119 149.949 -11.644 -9.437 1.00 0.00 C ATOM 1597 CD1 LEU A 119 151.463 -11.832 -9.570 1.00 0.00 C ATOM 1598 CD2 LEU A 119 149.309 -12.973 -9.028 1.00 0.00 C ATOM 0 H LEU A 119 148.972 -7.896 -7.692 1.00 0.00 H new ATOM 0 HA LEU A 119 151.145 -9.255 -9.154 1.00 0.00 H new ATOM 0 HB2 LEU A 119 150.156 -10.830 -7.444 1.00 0.00 H new ATOM 0 HB3 LEU A 119 148.575 -10.573 -8.155 1.00 0.00 H new ATOM 0 HG LEU A 119 149.543 -11.316 -10.394 1.00 0.00 H new ATOM 0 HD11 LEU A 119 151.671 -12.587 -10.328 1.00 0.00 H new ATOM 0 HD12 LEU A 119 151.923 -10.888 -9.863 1.00 0.00 H new ATOM 0 HD13 LEU A 119 151.875 -12.155 -8.614 1.00 0.00 H new ATOM 0 HD21 LEU A 119 149.525 -13.729 -9.783 1.00 0.00 H new ATOM 0 HD22 LEU A 119 149.715 -13.292 -8.068 1.00 0.00 H new ATOM 0 HD23 LEU A 119 148.230 -12.846 -8.941 1.00 0.00 H new ATOM 1604 N ARG A 120 148.071 -8.278 -9.862 1.00 0.00 N ATOM 1605 CA ARG A 120 147.231 -7.859 -10.973 1.00 0.00 C ATOM 1606 C ARG A 120 147.983 -6.814 -11.777 1.00 0.00 C ATOM 1607 O ARG A 120 148.313 -7.035 -12.941 1.00 0.00 O ATOM 1608 CB ARG A 120 145.911 -7.275 -10.459 1.00 0.00 C ATOM 1609 CG ARG A 120 145.014 -6.904 -11.645 1.00 0.00 C ATOM 1610 CD ARG A 120 144.585 -8.170 -12.391 1.00 0.00 C ATOM 1611 NE ARG A 120 145.309 -8.283 -13.652 1.00 0.00 N ATOM 1612 CZ ARG A 120 144.970 -9.192 -14.561 1.00 0.00 C ATOM 1613 NH1 ARG A 120 143.976 -10.006 -14.332 1.00 0.00 N ATOM 1614 NH2 ARG A 120 145.633 -9.272 -15.683 1.00 0.00 N ATOM 0 H ARG A 120 147.671 -8.127 -8.936 1.00 0.00 H new ATOM 0 HA ARG A 120 146.998 -8.720 -11.600 1.00 0.00 H new ATOM 0 HB2 ARG A 120 145.405 -8.000 -9.821 1.00 0.00 H new ATOM 0 HB3 ARG A 120 146.106 -6.394 -9.848 1.00 0.00 H new ATOM 0 HG2 ARG A 120 144.135 -6.364 -11.292 1.00 0.00 H new ATOM 0 HG3 ARG A 120 145.548 -6.237 -12.321 1.00 0.00 H new ATOM 0 HD2 ARG A 120 144.777 -9.047 -11.773 1.00 0.00 H new ATOM 0 HD3 ARG A 120 143.512 -8.143 -12.581 1.00 0.00 H new ATOM 0 HE ARG A 120 146.089 -7.653 -13.840 1.00 0.00 H new ATOM 0 HH11 ARG A 120 143.459 -9.945 -13.455 1.00 0.00 H new ATOM 0 HH12 ARG A 120 143.717 -10.703 -15.030 1.00 0.00 H new ATOM 0 HH21 ARG A 120 146.411 -8.637 -15.862 1.00 0.00 H new ATOM 0 HH22 ARG A 120 145.373 -9.969 -16.380 1.00 0.00 H new ATOM 1866 N ILE A 137 154.582 -1.847 -1.216 1.00 0.00 N ATOM 1867 CA ILE A 137 154.467 -0.785 -0.218 1.00 0.00 C ATOM 1868 C ILE A 137 153.210 -0.958 0.630 1.00 0.00 C ATOM 1869 O ILE A 137 152.463 -0.005 0.850 1.00 0.00 O ATOM 1870 CB ILE A 137 154.427 0.575 -0.919 1.00 0.00 C ATOM 1871 CG1 ILE A 137 154.249 1.683 0.120 1.00 0.00 C ATOM 1872 CG2 ILE A 137 153.255 0.607 -1.903 1.00 0.00 C ATOM 1873 CD1 ILE A 137 155.186 2.846 -0.208 1.00 0.00 C ATOM 0 HA ILE A 137 155.334 -0.840 0.440 1.00 0.00 H new ATOM 0 HB ILE A 137 155.361 0.731 -1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 137 153.215 2.027 0.127 1.00 0.00 H new ATOM 0 HG13 ILE A 137 154.464 1.299 1.117 1.00 0.00 H new ATOM 0 HG21 ILE A 137 153.226 1.575 -2.403 1.00 0.00 H new ATOM 0 HG22 ILE A 137 153.382 -0.181 -2.646 1.00 0.00 H new ATOM 0 HG23 ILE A 137 152.322 0.449 -1.362 1.00 0.00 H new ATOM 0 HD11 ILE A 137 155.059 3.636 0.533 1.00 0.00 H new ATOM 0 HD12 ILE A 137 156.218 2.497 -0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 137 154.949 3.236 -1.198 1.00 0.00 H new ATOM 1877 N THR A 138 152.979 -2.178 1.102 1.00 0.00 N ATOM 1878 CA THR A 138 151.802 -2.453 1.924 1.00 0.00 C ATOM 1879 C THR A 138 152.156 -3.222 3.203 1.00 0.00 C ATOM 1880 O THR A 138 151.990 -2.706 4.308 1.00 0.00 O ATOM 1881 CB THR A 138 150.768 -3.246 1.119 1.00 0.00 C ATOM 1882 OG1 THR A 138 151.371 -3.748 -0.065 1.00 0.00 O ATOM 1883 CG2 THR A 138 149.598 -2.332 0.746 1.00 0.00 C ATOM 0 H THR A 138 153.581 -2.984 0.934 1.00 0.00 H new ATOM 0 HA THR A 138 151.384 -1.490 2.218 1.00 0.00 H new ATOM 0 HB THR A 138 150.402 -4.077 1.721 1.00 0.00 H new ATOM 0 HG1 THR A 138 151.059 -4.663 -0.229 1.00 0.00 H new ATOM 0 HG21 THR A 138 148.863 -2.897 0.173 1.00 0.00 H new ATOM 0 HG22 THR A 138 149.133 -1.947 1.654 1.00 0.00 H new ATOM 0 HG23 THR A 138 149.964 -1.499 0.145 1.00 0.00 H new ATOM 1888 N PRO A 139 152.615 -4.443 3.077 1.00 0.00 N ATOM 1889 CA PRO A 139 152.972 -5.312 4.225 1.00 0.00 C ATOM 1890 C PRO A 139 153.321 -4.556 5.508 1.00 0.00 C ATOM 1891 O PRO A 139 152.579 -4.619 6.488 1.00 0.00 O ATOM 1892 CB PRO A 139 154.175 -6.082 3.686 1.00 0.00 C ATOM 1893 CG PRO A 139 153.969 -6.165 2.198 1.00 0.00 C ATOM 1894 CD PRO A 139 152.865 -5.161 1.823 1.00 0.00 C ATOM 0 HA PRO A 139 152.133 -5.935 4.537 1.00 0.00 H new ATOM 0 HB2 PRO A 139 155.107 -5.570 3.925 1.00 0.00 H new ATOM 0 HB3 PRO A 139 154.235 -7.076 4.129 1.00 0.00 H new ATOM 0 HG2 PRO A 139 154.894 -5.932 1.670 1.00 0.00 H new ATOM 0 HG3 PRO A 139 153.682 -7.176 1.907 1.00 0.00 H new ATOM 0 HD2 PRO A 139 153.189 -4.485 1.031 1.00 0.00 H new ATOM 0 HD3 PRO A 139 151.968 -5.666 1.464 1.00 0.00 H new ATOM 1902 N GLU A 140 154.458 -3.868 5.513 1.00 0.00 N ATOM 1903 CA GLU A 140 154.885 -3.143 6.708 1.00 0.00 C ATOM 1904 C GLU A 140 154.878 -1.632 6.497 1.00 0.00 C ATOM 1905 O GLU A 140 154.544 -0.873 7.407 1.00 0.00 O ATOM 1906 CB GLU A 140 156.294 -3.591 7.100 1.00 0.00 C ATOM 1907 CG GLU A 140 156.280 -5.086 7.422 1.00 0.00 C ATOM 1908 CD GLU A 140 157.668 -5.539 7.861 1.00 0.00 C ATOM 1909 OE1 GLU A 140 158.595 -4.758 7.727 1.00 0.00 O ATOM 1910 OE2 GLU A 140 157.784 -6.661 8.327 1.00 0.00 O ATOM 0 H GLU A 140 155.093 -3.796 4.718 1.00 0.00 H new ATOM 0 HA GLU A 140 154.175 -3.372 7.503 1.00 0.00 H new ATOM 0 HB2 GLU A 140 156.991 -3.389 6.287 1.00 0.00 H new ATOM 0 HB3 GLU A 140 156.640 -3.025 7.965 1.00 0.00 H new ATOM 0 HG2 GLU A 140 155.556 -5.289 8.211 1.00 0.00 H new ATOM 0 HG3 GLU A 140 155.964 -5.652 6.546 1.00 0.00 H new ATOM 1917 N THR A 141 155.267 -1.198 5.307 1.00 0.00 N ATOM 1918 CA THR A 141 155.323 0.229 5.008 1.00 0.00 C ATOM 1919 C THR A 141 154.001 0.927 5.329 1.00 0.00 C ATOM 1920 O THR A 141 153.994 2.045 5.845 1.00 0.00 O ATOM 1921 CB THR A 141 155.664 0.429 3.531 1.00 0.00 C ATOM 1922 OG1 THR A 141 156.885 -0.236 3.235 1.00 0.00 O ATOM 1923 CG2 THR A 141 155.807 1.923 3.234 1.00 0.00 C ATOM 0 H THR A 141 155.547 -1.806 4.537 1.00 0.00 H new ATOM 0 HA THR A 141 156.096 0.673 5.635 1.00 0.00 H new ATOM 0 HB THR A 141 154.866 0.016 2.914 1.00 0.00 H new ATOM 0 HG1 THR A 141 157.105 -0.111 2.288 1.00 0.00 H new ATOM 0 HG21 THR A 141 156.050 2.063 2.181 1.00 0.00 H new ATOM 0 HG22 THR A 141 154.869 2.430 3.461 1.00 0.00 H new ATOM 0 HG23 THR A 141 156.604 2.342 3.849 1.00 0.00 H new ATOM 1928 N ALA A 142 152.887 0.275 5.020 1.00 0.00 N ATOM 1929 CA ALA A 142 151.573 0.861 5.282 1.00 0.00 C ATOM 1930 C ALA A 142 151.246 0.859 6.776 1.00 0.00 C ATOM 1931 O ALA A 142 150.492 1.704 7.254 1.00 0.00 O ATOM 1932 CB ALA A 142 150.495 0.082 4.528 1.00 0.00 C ATOM 0 H ALA A 142 152.863 -0.651 4.592 1.00 0.00 H new ATOM 0 HA ALA A 142 151.596 1.895 4.937 1.00 0.00 H new ATOM 0 HB1 ALA A 142 149.519 0.524 4.728 1.00 0.00 H new ATOM 0 HB2 ALA A 142 150.699 0.122 3.458 1.00 0.00 H new ATOM 0 HB3 ALA A 142 150.497 -0.956 4.860 1.00 0.00 H new ATOM 1938 N GLU A 143 151.797 -0.110 7.499 1.00 0.00 N ATOM 1939 CA GLU A 143 151.534 -0.228 8.932 1.00 0.00 C ATOM 1940 C GLU A 143 152.022 0.995 9.710 1.00 0.00 C ATOM 1941 O GLU A 143 151.373 1.430 10.661 1.00 0.00 O ATOM 1942 CB GLU A 143 152.222 -1.479 9.480 1.00 0.00 C ATOM 1943 CG GLU A 143 151.596 -2.725 8.852 1.00 0.00 C ATOM 1944 CD GLU A 143 152.243 -3.978 9.431 1.00 0.00 C ATOM 1945 OE1 GLU A 143 153.241 -3.842 10.116 1.00 0.00 O ATOM 1946 OE2 GLU A 143 151.730 -5.056 9.179 1.00 0.00 O ATOM 0 H GLU A 143 152.424 -0.821 7.122 1.00 0.00 H new ATOM 0 HA GLU A 143 150.454 -0.299 9.061 1.00 0.00 H new ATOM 0 HB2 GLU A 143 153.289 -1.445 9.260 1.00 0.00 H new ATOM 0 HB3 GLU A 143 152.121 -1.516 10.565 1.00 0.00 H new ATOM 0 HG2 GLU A 143 150.523 -2.738 9.042 1.00 0.00 H new ATOM 0 HG3 GLU A 143 151.728 -2.703 7.770 1.00 0.00 H new ATOM 1953 N LYS A 144 153.168 1.537 9.315 1.00 0.00 N ATOM 1954 CA LYS A 144 153.721 2.698 10.005 1.00 0.00 C ATOM 1955 C LYS A 144 152.793 3.901 9.875 1.00 0.00 C ATOM 1956 O LYS A 144 152.526 4.602 10.851 1.00 0.00 O ATOM 1957 CB LYS A 144 155.095 3.044 9.427 1.00 0.00 C ATOM 1958 CG LYS A 144 155.748 4.137 10.276 1.00 0.00 C ATOM 1959 CD LYS A 144 157.098 4.516 9.664 1.00 0.00 C ATOM 1960 CE LYS A 144 157.823 5.495 10.588 1.00 0.00 C ATOM 1961 NZ LYS A 144 158.294 6.666 9.796 1.00 0.00 N ATOM 0 H LYS A 144 153.726 1.198 8.532 1.00 0.00 H new ATOM 0 HA LYS A 144 153.822 2.450 11.062 1.00 0.00 H new ATOM 0 HB2 LYS A 144 155.727 2.156 9.409 1.00 0.00 H new ATOM 0 HB3 LYS A 144 154.992 3.383 8.396 1.00 0.00 H new ATOM 0 HG2 LYS A 144 155.100 5.012 10.324 1.00 0.00 H new ATOM 0 HG3 LYS A 144 155.885 3.785 11.299 1.00 0.00 H new ATOM 0 HD2 LYS A 144 157.705 3.623 9.516 1.00 0.00 H new ATOM 0 HD3 LYS A 144 156.950 4.968 8.683 1.00 0.00 H new ATOM 0 HE2 LYS A 144 157.154 5.825 11.383 1.00 0.00 H new ATOM 0 HE3 LYS A 144 158.669 5.002 11.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 158.787 7.333 10.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 158.946 6.343 9.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 157.478 7.140 9.359 1.00 0.00 H new ATOM 1975 N LEU A 145 152.319 4.140 8.659 1.00 0.00 N ATOM 1976 CA LEU A 145 151.436 5.271 8.399 1.00 0.00 C ATOM 1977 C LEU A 145 150.226 5.248 9.331 1.00 0.00 C ATOM 1978 O LEU A 145 149.730 6.299 9.737 1.00 0.00 O ATOM 1979 CB LEU A 145 150.977 5.236 6.941 1.00 0.00 C ATOM 1980 CG LEU A 145 152.206 5.193 6.028 1.00 0.00 C ATOM 1981 CD1 LEU A 145 151.762 5.199 4.567 1.00 0.00 C ATOM 1982 CD2 LEU A 145 153.083 6.420 6.293 1.00 0.00 C ATOM 0 H LEU A 145 152.530 3.569 7.840 1.00 0.00 H new ATOM 0 HA LEU A 145 151.987 6.192 8.586 1.00 0.00 H new ATOM 0 HB2 LEU A 145 150.348 4.363 6.766 1.00 0.00 H new ATOM 0 HB3 LEU A 145 150.372 6.115 6.716 1.00 0.00 H new ATOM 0 HG LEU A 145 152.773 4.285 6.232 1.00 0.00 H new ATOM 0 HD11 LEU A 145 152.639 5.168 3.920 1.00 0.00 H new ATOM 0 HD12 LEU A 145 151.137 4.327 4.373 1.00 0.00 H new ATOM 0 HD13 LEU A 145 151.193 6.106 4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 145 153.958 6.389 5.643 1.00 0.00 H new ATOM 0 HD22 LEU A 145 152.512 7.326 6.090 1.00 0.00 H new ATOM 0 HD23 LEU A 145 153.405 6.419 7.334 1.00 0.00 H new ATOM 1988 N ALA A 146 149.763 4.052 9.680 1.00 0.00 N ATOM 1989 CA ALA A 146 148.620 3.929 10.583 1.00 0.00 C ATOM 1990 C ALA A 146 148.972 4.500 11.954 1.00 0.00 C ATOM 1991 O ALA A 146 148.127 5.109 12.622 1.00 0.00 O ATOM 1992 CB ALA A 146 148.224 2.458 10.728 1.00 0.00 C ATOM 0 H ALA A 146 150.153 3.166 9.358 1.00 0.00 H new ATOM 0 HA ALA A 146 147.782 4.488 10.166 1.00 0.00 H new ATOM 0 HB1 ALA A 146 147.372 2.375 11.402 1.00 0.00 H new ATOM 0 HB2 ALA A 146 147.954 2.056 9.751 1.00 0.00 H new ATOM 0 HB3 ALA A 146 149.064 1.893 11.134 1.00 0.00 H new ATOM 1998 N ARG A 147 150.233 4.302 12.353 1.00 0.00 N ATOM 1999 CA ARG A 147 150.721 4.796 13.639 1.00 0.00 C ATOM 2000 C ARG A 147 150.603 6.310 13.712 1.00 0.00 C ATOM 2001 O ARG A 147 150.202 6.861 14.737 1.00 0.00 O ATOM 2002 CB ARG A 147 152.184 4.393 13.834 1.00 0.00 C ATOM 2003 CG ARG A 147 152.639 4.779 15.243 1.00 0.00 C ATOM 2004 CD ARG A 147 154.133 4.488 15.391 1.00 0.00 C ATOM 2005 NE ARG A 147 154.396 3.075 15.145 1.00 0.00 N ATOM 2006 CZ ARG A 147 155.638 2.606 15.095 1.00 0.00 C ATOM 2007 NH1 ARG A 147 156.648 3.411 15.278 1.00 0.00 N ATOM 2008 NH2 ARG A 147 155.847 1.338 14.865 1.00 0.00 N ATOM 0 H ARG A 147 150.932 3.803 11.802 1.00 0.00 H new ATOM 0 HA ARG A 147 150.111 4.355 14.427 1.00 0.00 H new ATOM 0 HB2 ARG A 147 152.299 3.319 13.685 1.00 0.00 H new ATOM 0 HB3 ARG A 147 152.810 4.887 13.091 1.00 0.00 H new ATOM 0 HG2 ARG A 147 152.443 5.836 15.424 1.00 0.00 H new ATOM 0 HG3 ARG A 147 152.072 4.218 15.987 1.00 0.00 H new ATOM 0 HD2 ARG A 147 154.701 5.099 14.690 1.00 0.00 H new ATOM 0 HD3 ARG A 147 154.467 4.759 16.393 1.00 0.00 H new ATOM 0 HE ARG A 147 153.613 2.436 15.009 1.00 0.00 H new ATOM 0 HH11 ARG A 147 156.484 4.401 15.460 1.00 0.00 H new ATOM 0 HH12 ARG A 147 157.601 3.050 15.239 1.00 0.00 H new ATOM 0 HH21 ARG A 147 155.057 0.708 14.724 1.00 0.00 H new ATOM 0 HH22 ARG A 147 156.800 0.977 14.826 1.00 0.00 H new ATOM 2022 N ASP A 148 150.940 6.980 12.615 1.00 0.00 N ATOM 2023 CA ASP A 148 150.844 8.430 12.577 1.00 0.00 C ATOM 2024 C ASP A 148 149.454 8.830 13.031 1.00 0.00 C ATOM 2025 O ASP A 148 149.258 9.870 13.661 1.00 0.00 O ATOM 2026 CB ASP A 148 151.103 8.942 11.159 1.00 0.00 C ATOM 2027 CG ASP A 148 152.560 8.702 10.777 1.00 0.00 C ATOM 2028 OD1 ASP A 148 153.329 8.343 11.654 1.00 0.00 O ATOM 2029 OD2 ASP A 148 152.885 8.879 9.614 1.00 0.00 O ATOM 0 H ASP A 148 151.277 6.548 11.754 1.00 0.00 H new ATOM 0 HA ASP A 148 151.592 8.868 13.237 1.00 0.00 H new ATOM 0 HB2 ASP A 148 150.445 8.434 10.454 1.00 0.00 H new ATOM 0 HB3 ASP A 148 150.873 10.006 11.100 1.00 0.00 H new ATOM 2034 N LEU A 149 148.497 7.964 12.725 1.00 0.00 N ATOM 2035 CA LEU A 149 147.117 8.171 13.110 1.00 0.00 C ATOM 2036 C LEU A 149 146.596 6.886 13.753 1.00 0.00 C ATOM 2037 O LEU A 149 147.070 6.468 14.809 1.00 0.00 O ATOM 2038 CB LEU A 149 146.278 8.511 11.871 1.00 0.00 C ATOM 2039 CG LEU A 149 146.896 9.703 11.132 1.00 0.00 C ATOM 2040 CD1 LEU A 149 146.126 9.958 9.833 1.00 0.00 C ATOM 2041 CD2 LEU A 149 146.817 10.952 12.016 1.00 0.00 C ATOM 0 H LEU A 149 148.660 7.102 12.204 1.00 0.00 H new ATOM 0 HA LEU A 149 147.046 8.997 13.817 1.00 0.00 H new ATOM 0 HB2 LEU A 149 146.227 7.648 11.208 1.00 0.00 H new ATOM 0 HB3 LEU A 149 145.256 8.746 12.167 1.00 0.00 H new ATOM 0 HG LEU A 149 147.938 9.481 10.902 1.00 0.00 H new ATOM 0 HD11 LEU A 149 146.567 10.806 9.309 1.00 0.00 H new ATOM 0 HD12 LEU A 149 146.178 9.073 9.199 1.00 0.00 H new ATOM 0 HD13 LEU A 149 145.084 10.177 10.065 1.00 0.00 H new ATOM 0 HD21 LEU A 149 147.257 11.799 11.489 1.00 0.00 H new ATOM 0 HD22 LEU A 149 145.774 11.170 12.246 1.00 0.00 H new ATOM 0 HD23 LEU A 149 147.364 10.777 12.943 1.00 0.00 H new ATOM 2047 N LYS A 150 145.622 6.276 13.103 1.00 0.00 N ATOM 2048 CA LYS A 150 145.028 5.041 13.600 1.00 0.00 C ATOM 2049 C LYS A 150 144.874 4.035 12.463 1.00 0.00 C ATOM 2050 O LYS A 150 145.735 3.947 11.591 1.00 0.00 O ATOM 2051 CB LYS A 150 143.665 5.335 14.231 1.00 0.00 C ATOM 2052 CG LYS A 150 143.848 6.294 15.407 1.00 0.00 C ATOM 2053 CD LYS A 150 142.511 6.490 16.123 1.00 0.00 C ATOM 2054 CE LYS A 150 142.672 7.533 17.229 1.00 0.00 C ATOM 2055 NZ LYS A 150 143.841 7.176 18.084 1.00 0.00 N ATOM 0 H LYS A 150 145.222 6.614 12.227 1.00 0.00 H new ATOM 0 HA LYS A 150 145.685 4.614 14.358 1.00 0.00 H new ATOM 0 HB2 LYS A 150 142.996 5.773 13.491 1.00 0.00 H new ATOM 0 HB3 LYS A 150 143.202 4.409 14.571 1.00 0.00 H new ATOM 0 HG2 LYS A 150 144.589 5.897 16.101 1.00 0.00 H new ATOM 0 HG3 LYS A 150 144.226 7.253 15.052 1.00 0.00 H new ATOM 0 HD2 LYS A 150 141.750 6.813 15.413 1.00 0.00 H new ATOM 0 HD3 LYS A 150 142.171 5.545 16.547 1.00 0.00 H new ATOM 0 HE2 LYS A 150 142.815 8.522 16.793 1.00 0.00 H new ATOM 0 HE3 LYS A 150 141.766 7.580 17.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 143.686 7.531 19.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 143.950 6.142 18.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 144.703 7.606 17.691 1.00 0.00 H new ATOM 2069 N ALA A 151 143.769 3.289 12.481 1.00 0.00 N ATOM 2070 CA ALA A 151 143.490 2.293 11.448 1.00 0.00 C ATOM 2071 C ALA A 151 142.651 1.151 12.002 1.00 0.00 C ATOM 2072 O ALA A 151 142.327 1.121 13.187 1.00 0.00 O ATOM 2073 CB ALA A 151 144.794 1.715 10.887 1.00 0.00 C ATOM 0 H ALA A 151 143.051 3.357 13.202 1.00 0.00 H new ATOM 0 HA ALA A 151 142.938 2.796 10.654 1.00 0.00 H new ATOM 0 HB1 ALA A 151 144.564 0.976 10.120 1.00 0.00 H new ATOM 0 HB2 ALA A 151 145.390 2.517 10.451 1.00 0.00 H new ATOM 0 HB3 ALA A 151 145.357 1.241 11.691 1.00 0.00 H new ATOM 2079 N VAL A 152 142.308 0.212 11.126 1.00 0.00 N ATOM 2080 CA VAL A 152 141.519 -0.954 11.523 1.00 0.00 C ATOM 2081 C VAL A 152 141.960 -2.170 10.712 1.00 0.00 C ATOM 2082 O VAL A 152 142.424 -3.165 11.268 1.00 0.00 O ATOM 2083 CB VAL A 152 140.026 -0.689 11.318 1.00 0.00 C ATOM 2084 CG1 VAL A 152 139.228 -1.947 11.665 1.00 0.00 C ATOM 2085 CG2 VAL A 152 139.586 0.457 12.232 1.00 0.00 C ATOM 0 H VAL A 152 142.562 0.233 10.138 1.00 0.00 H new ATOM 0 HA VAL A 152 141.686 -1.151 12.582 1.00 0.00 H new ATOM 0 HB VAL A 152 139.845 -0.421 10.277 1.00 0.00 H new ATOM 0 HG11 VAL A 152 138.165 -1.756 11.518 1.00 0.00 H new ATOM 0 HG12 VAL A 152 139.542 -2.767 11.019 1.00 0.00 H new ATOM 0 HG13 VAL A 152 139.408 -2.216 12.706 1.00 0.00 H new ATOM 0 HG21 VAL A 152 138.523 0.649 12.089 1.00 0.00 H new ATOM 0 HG22 VAL A 152 139.769 0.184 13.271 1.00 0.00 H new ATOM 0 HG23 VAL A 152 140.153 1.355 11.988 1.00 0.00 H new ATOM 2089 N LYS A 153 141.844 -2.068 9.391 1.00 0.00 N ATOM 2090 CA LYS A 153 142.269 -3.149 8.503 1.00 0.00 C ATOM 2091 C LYS A 153 143.631 -2.807 7.916 1.00 0.00 C ATOM 2092 O LYS A 153 144.104 -1.684 8.082 1.00 0.00 O ATOM 2093 CB LYS A 153 141.251 -3.356 7.381 1.00 0.00 C ATOM 2094 CG LYS A 153 140.158 -4.313 7.858 1.00 0.00 C ATOM 2095 CD LYS A 153 140.604 -5.757 7.611 1.00 0.00 C ATOM 2096 CE LYS A 153 139.688 -6.716 8.375 1.00 0.00 C ATOM 2097 NZ LYS A 153 139.567 -7.995 7.620 1.00 0.00 N ATOM 0 H LYS A 153 141.461 -1.253 8.912 1.00 0.00 H new ATOM 0 HA LYS A 153 142.338 -4.074 9.075 1.00 0.00 H new ATOM 0 HB2 LYS A 153 140.813 -2.401 7.092 1.00 0.00 H new ATOM 0 HB3 LYS A 153 141.744 -3.761 6.497 1.00 0.00 H new ATOM 0 HG2 LYS A 153 139.961 -4.158 8.919 1.00 0.00 H new ATOM 0 HG3 LYS A 153 139.227 -4.112 7.328 1.00 0.00 H new ATOM 0 HD2 LYS A 153 140.573 -5.980 6.545 1.00 0.00 H new ATOM 0 HD3 LYS A 153 141.637 -5.890 7.934 1.00 0.00 H new ATOM 0 HE2 LYS A 153 140.091 -6.905 9.370 1.00 0.00 H new ATOM 0 HE3 LYS A 153 138.704 -6.266 8.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 138.636 -8.039 7.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 140.314 -8.044 6.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 139.667 -8.796 8.276 1.00 0.00 H new ATOM 2111 N TYR A 154 144.272 -3.754 7.233 1.00 0.00 N ATOM 2112 CA TYR A 154 145.571 -3.468 6.656 1.00 0.00 C ATOM 2113 C TYR A 154 146.004 -4.630 5.804 1.00 0.00 C ATOM 2114 O TYR A 154 146.523 -5.625 6.309 1.00 0.00 O ATOM 2115 CB TYR A 154 146.600 -3.217 7.761 1.00 0.00 C ATOM 2116 CG TYR A 154 146.062 -3.721 9.078 1.00 0.00 C ATOM 2117 CD1 TYR A 154 145.993 -5.097 9.329 1.00 0.00 C ATOM 2118 CD2 TYR A 154 145.629 -2.811 10.050 1.00 0.00 C ATOM 2119 CE1 TYR A 154 145.493 -5.561 10.551 1.00 0.00 C ATOM 2120 CE2 TYR A 154 145.129 -3.276 11.271 1.00 0.00 C ATOM 2121 CZ TYR A 154 145.060 -4.650 11.521 1.00 0.00 C ATOM 2122 OH TYR A 154 144.567 -5.109 12.725 1.00 0.00 O ATOM 0 H TYR A 154 143.921 -4.698 7.072 1.00 0.00 H new ATOM 0 HA TYR A 154 145.500 -2.572 6.040 1.00 0.00 H new ATOM 0 HB2 TYR A 154 147.536 -3.722 7.522 1.00 0.00 H new ATOM 0 HB3 TYR A 154 146.821 -2.152 7.831 1.00 0.00 H new ATOM 0 HD1 TYR A 154 146.326 -5.800 8.580 1.00 0.00 H new ATOM 0 HD2 TYR A 154 145.681 -1.750 9.857 1.00 0.00 H new ATOM 0 HE1 TYR A 154 145.441 -6.622 10.745 1.00 0.00 H new ATOM 0 HE2 TYR A 154 144.796 -2.574 12.021 1.00 0.00 H new ATOM 0 HH TYR A 154 144.311 -4.347 13.286 1.00 0.00 H new ATOM 2132 N VAL A 155 145.778 -4.515 4.514 1.00 0.00 N ATOM 2133 CA VAL A 155 146.145 -5.594 3.628 1.00 0.00 C ATOM 2134 C VAL A 155 146.020 -5.174 2.168 1.00 0.00 C ATOM 2135 O VAL A 155 145.877 -3.991 1.852 1.00 0.00 O ATOM 2136 CB VAL A 155 145.271 -6.820 3.940 1.00 0.00 C ATOM 2137 CG1 VAL A 155 143.903 -6.686 3.268 1.00 0.00 C ATOM 2138 CG2 VAL A 155 145.957 -8.105 3.452 1.00 0.00 C ATOM 0 H VAL A 155 145.352 -3.705 4.064 1.00 0.00 H new ATOM 0 HA VAL A 155 147.191 -5.855 3.791 1.00 0.00 H new ATOM 0 HB VAL A 155 145.135 -6.875 5.020 1.00 0.00 H new ATOM 0 HG11 VAL A 155 143.297 -7.562 3.499 1.00 0.00 H new ATOM 0 HG12 VAL A 155 143.402 -5.791 3.637 1.00 0.00 H new ATOM 0 HG13 VAL A 155 144.034 -6.610 2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 155 145.326 -8.964 3.680 1.00 0.00 H new ATOM 0 HG22 VAL A 155 146.115 -8.047 2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 155 146.918 -8.218 3.954 1.00 0.00 H new ATOM 2142 N GLU A 156 146.078 -6.157 1.294 1.00 0.00 N ATOM 2143 CA GLU A 156 145.982 -5.915 -0.133 1.00 0.00 C ATOM 2144 C GLU A 156 144.627 -6.385 -0.601 1.00 0.00 C ATOM 2145 O GLU A 156 143.953 -7.088 0.134 1.00 0.00 O ATOM 2146 CB GLU A 156 147.086 -6.691 -0.853 1.00 0.00 C ATOM 2147 CG GLU A 156 148.451 -6.210 -0.357 1.00 0.00 C ATOM 2148 CD GLU A 156 149.565 -6.931 -1.110 1.00 0.00 C ATOM 2149 OE1 GLU A 156 149.261 -7.879 -1.814 1.00 0.00 O ATOM 2150 OE2 GLU A 156 150.707 -6.523 -0.970 1.00 0.00 O ATOM 0 H GLU A 156 146.192 -7.138 1.548 1.00 0.00 H new ATOM 0 HA GLU A 156 146.101 -4.854 -0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 156 146.975 -7.759 -0.668 1.00 0.00 H new ATOM 0 HB3 GLU A 156 147.006 -6.544 -1.930 1.00 0.00 H new ATOM 0 HG2 GLU A 156 148.541 -5.133 -0.502 1.00 0.00 H new ATOM 0 HG3 GLU A 156 148.544 -6.396 0.713 1.00 0.00 H new ATOM 2157 N CYS A 157 144.215 -6.020 -1.806 1.00 0.00 N ATOM 2158 CA CYS A 157 142.929 -6.504 -2.281 1.00 0.00 C ATOM 2159 C CYS A 157 142.573 -6.064 -3.678 1.00 0.00 C ATOM 2160 O CYS A 157 142.403 -4.889 -3.967 1.00 0.00 O ATOM 2161 CB CYS A 157 141.814 -6.189 -1.288 1.00 0.00 C ATOM 2162 SG CYS A 157 142.282 -4.771 -0.269 1.00 0.00 S ATOM 0 H CYS A 157 144.727 -5.416 -2.449 1.00 0.00 H new ATOM 0 HA CYS A 157 143.036 -7.587 -2.347 1.00 0.00 H new ATOM 0 HB2 CYS A 157 140.889 -5.974 -1.823 1.00 0.00 H new ATOM 0 HB3 CYS A 157 141.623 -7.056 -0.655 1.00 0.00 H new ATOM 0 HG CYS A 157 142.718 -3.813 -1.032 1.00 0.00 H new ATOM 2168 N SER A 158 142.393 -7.065 -4.514 1.00 0.00 N ATOM 2169 CA SER A 158 141.971 -6.868 -5.878 1.00 0.00 C ATOM 2170 C SER A 158 141.332 -8.152 -6.331 1.00 0.00 C ATOM 2171 O SER A 158 142.005 -9.088 -6.761 1.00 0.00 O ATOM 2172 CB SER A 158 143.143 -6.532 -6.781 1.00 0.00 C ATOM 2173 OG SER A 158 142.646 -6.133 -8.049 1.00 0.00 O ATOM 0 H SER A 158 142.537 -8.043 -4.261 1.00 0.00 H new ATOM 0 HA SER A 158 141.274 -6.031 -5.932 1.00 0.00 H new ATOM 0 HB2 SER A 158 143.740 -5.733 -6.342 1.00 0.00 H new ATOM 0 HB3 SER A 158 143.797 -7.397 -6.888 1.00 0.00 H new ATOM 0 HG SER A 158 142.351 -5.200 -8.006 1.00 0.00 H new ATOM 2179 N ALA A 159 140.026 -8.182 -6.199 1.00 0.00 N ATOM 2180 CA ALA A 159 139.259 -9.358 -6.557 1.00 0.00 C ATOM 2181 C ALA A 159 140.062 -10.610 -6.229 1.00 0.00 C ATOM 2182 O ALA A 159 139.911 -11.650 -6.871 1.00 0.00 O ATOM 2183 CB ALA A 159 138.913 -9.322 -8.042 1.00 0.00 C ATOM 0 H ALA A 159 139.469 -7.404 -5.845 1.00 0.00 H new ATOM 0 HA ALA A 159 138.331 -9.373 -5.985 1.00 0.00 H new ATOM 0 HB1 ALA A 159 138.336 -10.210 -8.303 1.00 0.00 H new ATOM 0 HB2 ALA A 159 138.324 -8.430 -8.257 1.00 0.00 H new ATOM 0 HB3 ALA A 159 139.831 -9.300 -8.629 1.00 0.00 H new ATOM 2189 N LEU A 160 140.924 -10.488 -5.221 1.00 0.00 N ATOM 2190 CA LEU A 160 141.763 -11.600 -4.800 1.00 0.00 C ATOM 2191 C LEU A 160 141.932 -11.622 -3.281 1.00 0.00 C ATOM 2192 O LEU A 160 141.319 -12.447 -2.613 1.00 0.00 O ATOM 2193 CB LEU A 160 143.137 -11.501 -5.469 1.00 0.00 C ATOM 2194 CG LEU A 160 143.040 -11.963 -6.928 1.00 0.00 C ATOM 2195 CD1 LEU A 160 144.381 -11.730 -7.629 1.00 0.00 C ATOM 2196 CD2 LEU A 160 142.703 -13.457 -6.974 1.00 0.00 C ATOM 0 H LEU A 160 141.057 -9.631 -4.684 1.00 0.00 H new ATOM 0 HA LEU A 160 141.273 -12.525 -5.104 1.00 0.00 H new ATOM 0 HB2 LEU A 160 143.499 -10.474 -5.427 1.00 0.00 H new ATOM 0 HB3 LEU A 160 143.859 -12.116 -4.931 1.00 0.00 H new ATOM 0 HG LEU A 160 142.258 -11.396 -7.432 1.00 0.00 H new ATOM 0 HD11 LEU A 160 144.311 -12.059 -8.666 1.00 0.00 H new ATOM 0 HD12 LEU A 160 144.627 -10.668 -7.600 1.00 0.00 H new ATOM 0 HD13 LEU A 160 145.161 -12.297 -7.120 1.00 0.00 H new ATOM 0 HD21 LEU A 160 142.635 -13.783 -8.012 1.00 0.00 H new ATOM 0 HD22 LEU A 160 143.485 -14.022 -6.467 1.00 0.00 H new ATOM 0 HD23 LEU A 160 141.749 -13.630 -6.476 1.00 0.00 H new ATOM 2202 N THR A 161 142.820 -10.758 -2.765 1.00 0.00 N ATOM 2203 CA THR A 161 143.137 -10.714 -1.315 1.00 0.00 C ATOM 2204 C THR A 161 141.916 -10.792 -0.411 1.00 0.00 C ATOM 2205 O THR A 161 141.708 -9.925 0.439 1.00 0.00 O ATOM 2206 CB THR A 161 143.851 -9.428 -0.940 1.00 0.00 C ATOM 2207 OG1 THR A 161 144.815 -9.087 -1.933 1.00 0.00 O ATOM 2208 CG2 THR A 161 144.522 -9.541 0.447 1.00 0.00 C ATOM 0 H THR A 161 143.335 -10.078 -3.324 1.00 0.00 H new ATOM 0 HA THR A 161 143.763 -11.593 -1.160 1.00 0.00 H new ATOM 0 HB THR A 161 143.105 -8.635 -0.887 1.00 0.00 H new ATOM 0 HG1 THR A 161 145.677 -9.495 -1.706 1.00 0.00 H new ATOM 0 HG21 THR A 161 145.024 -8.604 0.686 1.00 0.00 H new ATOM 0 HG22 THR A 161 143.764 -9.749 1.202 1.00 0.00 H new ATOM 0 HG23 THR A 161 145.252 -10.351 0.433 1.00 0.00 H new ATOM 2213 N GLN A 162 141.170 -11.854 -0.531 1.00 0.00 N ATOM 2214 CA GLN A 162 140.047 -12.065 0.340 1.00 0.00 C ATOM 2215 C GLN A 162 140.648 -12.414 1.686 1.00 0.00 C ATOM 2216 O GLN A 162 139.966 -12.851 2.610 1.00 0.00 O ATOM 2217 CB GLN A 162 139.176 -13.217 -0.173 1.00 0.00 C ATOM 2218 CG GLN A 162 139.885 -14.549 0.086 1.00 0.00 C ATOM 2219 CD GLN A 162 139.185 -15.670 -0.675 1.00 0.00 C ATOM 2220 OE1 GLN A 162 138.803 -15.491 -1.830 1.00 0.00 O ATOM 2221 NE2 GLN A 162 138.994 -16.821 -0.092 1.00 0.00 N ATOM 0 H GLN A 162 141.319 -12.588 -1.224 1.00 0.00 H new ATOM 0 HA GLN A 162 139.405 -11.186 0.395 1.00 0.00 H new ATOM 0 HB2 GLN A 162 138.208 -13.205 0.327 1.00 0.00 H new ATOM 0 HB3 GLN A 162 138.985 -13.096 -1.239 1.00 0.00 H new ATOM 0 HG2 GLN A 162 140.927 -14.482 -0.226 1.00 0.00 H new ATOM 0 HG3 GLN A 162 139.885 -14.768 1.154 1.00 0.00 H new ATOM 0 HE21 GLN A 162 139.312 -16.966 0.866 1.00 0.00 H new ATOM 0 HE22 GLN A 162 138.527 -17.576 -0.594 1.00 0.00 H new ATOM 2228 N LYS A 163 141.971 -12.222 1.762 1.00 0.00 N ATOM 2229 CA LYS A 163 142.719 -12.522 2.973 1.00 0.00 C ATOM 2230 C LYS A 163 142.218 -11.649 4.088 1.00 0.00 C ATOM 2231 O LYS A 163 142.276 -12.008 5.264 1.00 0.00 O ATOM 2232 CB LYS A 163 144.213 -12.273 2.755 1.00 0.00 C ATOM 2233 CG LYS A 163 145.006 -12.849 3.930 1.00 0.00 C ATOM 2234 CD LYS A 163 146.493 -12.542 3.740 1.00 0.00 C ATOM 2235 CE LYS A 163 147.303 -13.244 4.831 1.00 0.00 C ATOM 2236 NZ LYS A 163 147.977 -12.223 5.681 1.00 0.00 N ATOM 0 H LYS A 163 142.538 -11.860 0.996 1.00 0.00 H new ATOM 0 HA LYS A 163 142.577 -13.572 3.230 1.00 0.00 H new ATOM 0 HB2 LYS A 163 144.537 -12.736 1.823 1.00 0.00 H new ATOM 0 HB3 LYS A 163 144.404 -11.204 2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 163 144.652 -12.420 4.867 1.00 0.00 H new ATOM 0 HG3 LYS A 163 144.851 -13.926 3.994 1.00 0.00 H new ATOM 0 HD2 LYS A 163 146.821 -12.877 2.756 1.00 0.00 H new ATOM 0 HD3 LYS A 163 146.661 -11.466 3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 163 146.649 -13.867 5.441 1.00 0.00 H new ATOM 0 HE3 LYS A 163 148.044 -13.905 4.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 148.528 -12.699 6.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 148.613 -11.647 5.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 147.261 -11.610 6.120 1.00 0.00 H new ATOM 2250 N GLY A 164 141.699 -10.505 3.698 1.00 0.00 N ATOM 2251 CA GLY A 164 141.145 -9.566 4.653 1.00 0.00 C ATOM 2252 C GLY A 164 139.733 -9.259 4.245 1.00 0.00 C ATOM 2253 O GLY A 164 138.795 -9.547 4.986 1.00 0.00 O ATOM 0 H GLY A 164 141.648 -10.201 2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 164 141.167 -9.988 5.658 1.00 0.00 H new ATOM 0 HA3 GLY A 164 141.740 -8.653 4.678 1.00 0.00 H new ATOM 2257 N LEU A 165 139.583 -8.651 3.073 1.00 0.00 N ATOM 2258 CA LEU A 165 138.254 -8.297 2.590 1.00 0.00 C ATOM 2259 C LEU A 165 137.220 -9.377 2.903 1.00 0.00 C ATOM 2260 O LEU A 165 136.022 -9.120 2.848 1.00 0.00 O ATOM 2261 CB LEU A 165 138.281 -8.015 1.101 1.00 0.00 C ATOM 2262 CG LEU A 165 138.257 -6.494 0.911 1.00 0.00 C ATOM 2263 CD1 LEU A 165 138.581 -6.133 -0.533 1.00 0.00 C ATOM 2264 CD2 LEU A 165 136.867 -5.961 1.264 1.00 0.00 C ATOM 0 H LEU A 165 140.350 -8.397 2.450 1.00 0.00 H new ATOM 0 HA LEU A 165 137.955 -7.392 3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 165 139.175 -8.442 0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 165 137.424 -8.475 0.610 1.00 0.00 H new ATOM 0 HG LEU A 165 139.006 -6.046 1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 165 138.560 -5.050 -0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 165 139.573 -6.506 -0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 165 137.842 -6.584 -1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 165 136.847 -4.879 1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 165 136.124 -6.421 0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 165 136.638 -6.202 2.302 1.00 0.00 H new ATOM 2270 N LYS A 166 137.678 -10.560 3.297 1.00 0.00 N ATOM 2271 CA LYS A 166 136.759 -11.627 3.685 1.00 0.00 C ATOM 2272 C LYS A 166 136.322 -11.382 5.120 1.00 0.00 C ATOM 2273 O LYS A 166 135.140 -11.447 5.456 1.00 0.00 O ATOM 2274 CB LYS A 166 137.447 -12.993 3.585 1.00 0.00 C ATOM 2275 CG LYS A 166 136.500 -14.097 4.067 1.00 0.00 C ATOM 2276 CD LYS A 166 137.205 -15.453 3.964 1.00 0.00 C ATOM 2277 CE LYS A 166 136.216 -16.575 4.297 1.00 0.00 C ATOM 2278 NZ LYS A 166 136.237 -16.830 5.765 1.00 0.00 N ATOM 0 H LYS A 166 138.667 -10.804 3.356 1.00 0.00 H new ATOM 0 HA LYS A 166 135.898 -11.627 3.017 1.00 0.00 H new ATOM 0 HB2 LYS A 166 137.745 -13.184 2.554 1.00 0.00 H new ATOM 0 HB3 LYS A 166 138.356 -12.996 4.186 1.00 0.00 H new ATOM 0 HG2 LYS A 166 136.199 -13.909 5.097 1.00 0.00 H new ATOM 0 HG3 LYS A 166 135.591 -14.100 3.465 1.00 0.00 H new ATOM 0 HD2 LYS A 166 137.602 -15.592 2.959 1.00 0.00 H new ATOM 0 HD3 LYS A 166 138.052 -15.486 4.649 1.00 0.00 H new ATOM 0 HE2 LYS A 166 135.211 -16.296 3.979 1.00 0.00 H new ATOM 0 HE3 LYS A 166 136.482 -17.482 3.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 135.567 -17.591 5.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 137.195 -17.113 6.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 135.964 -15.964 6.272 1.00 0.00 H new ATOM 2292 N ASN A 167 137.311 -11.088 5.954 1.00 0.00 N ATOM 2293 CA ASN A 167 137.073 -10.815 7.361 1.00 0.00 C ATOM 2294 C ASN A 167 136.663 -9.360 7.550 1.00 0.00 C ATOM 2295 O ASN A 167 136.502 -8.894 8.677 1.00 0.00 O ATOM 2296 CB ASN A 167 138.339 -11.099 8.171 1.00 0.00 C ATOM 2297 CG ASN A 167 138.729 -12.566 8.029 1.00 0.00 C ATOM 2298 OD1 ASN A 167 137.998 -13.356 7.292 1.00 0.00 O flip ATOM 2299 ND2 ASN A 167 139.726 -13.003 8.604 1.00 0.00 N flip ATOM 0 H ASN A 167 138.291 -11.033 5.676 1.00 0.00 H new ATOM 0 HA ASN A 167 136.269 -11.462 7.711 1.00 0.00 H new ATOM 0 HB2 ASN A 167 139.153 -10.462 7.825 1.00 0.00 H new ATOM 0 HB3 ASN A 167 138.171 -10.859 9.221 1.00 0.00 H new ATOM 0 HD21 ASN A 167 140.296 -12.383 9.180 1.00 0.00 H new ATOM 0 HD22 ASN A 167 139.982 -13.985 8.505 1.00 0.00 H new ATOM 2304 N VAL A 168 136.463 -8.653 6.439 1.00 0.00 N ATOM 2305 CA VAL A 168 136.036 -7.258 6.506 1.00 0.00 C ATOM 2306 C VAL A 168 134.520 -7.172 6.600 1.00 0.00 C ATOM 2307 O VAL A 168 133.985 -6.605 7.549 1.00 0.00 O ATOM 2308 CB VAL A 168 136.503 -6.497 5.273 1.00 0.00 C ATOM 2309 CG1 VAL A 168 135.853 -5.113 5.250 1.00 0.00 C ATOM 2310 CG2 VAL A 168 138.023 -6.342 5.337 1.00 0.00 C ATOM 0 H VAL A 168 136.588 -9.017 5.494 1.00 0.00 H new ATOM 0 HA VAL A 168 136.481 -6.811 7.395 1.00 0.00 H new ATOM 0 HB VAL A 168 136.221 -7.042 4.372 1.00 0.00 H new ATOM 0 HG11 VAL A 168 136.188 -4.568 4.367 1.00 0.00 H new ATOM 0 HG12 VAL A 168 134.769 -5.221 5.221 1.00 0.00 H new ATOM 0 HG13 VAL A 168 136.139 -4.562 6.146 1.00 0.00 H new ATOM 0 HG21 VAL A 168 138.371 -5.798 4.459 1.00 0.00 H new ATOM 0 HG22 VAL A 168 138.295 -5.790 6.237 1.00 0.00 H new ATOM 0 HG23 VAL A 168 138.489 -7.327 5.361 1.00 0.00 H new ATOM 2314 N PHE A 169 133.824 -7.740 5.614 1.00 0.00 N ATOM 2315 CA PHE A 169 132.363 -7.706 5.630 1.00 0.00 C ATOM 2316 C PHE A 169 131.841 -8.074 7.017 1.00 0.00 C ATOM 2317 O PHE A 169 130.952 -7.412 7.550 1.00 0.00 O ATOM 2318 CB PHE A 169 131.801 -8.689 4.600 1.00 0.00 C ATOM 2319 CG PHE A 169 131.793 -8.049 3.233 1.00 0.00 C ATOM 2320 CD1 PHE A 169 132.982 -7.926 2.508 1.00 0.00 C ATOM 2321 CD2 PHE A 169 130.590 -7.585 2.689 1.00 0.00 C ATOM 2322 CE1 PHE A 169 132.970 -7.337 1.237 1.00 0.00 C ATOM 2323 CE2 PHE A 169 130.577 -6.995 1.420 1.00 0.00 C ATOM 2324 CZ PHE A 169 131.767 -6.871 0.694 1.00 0.00 C ATOM 0 H PHE A 169 134.237 -8.218 4.813 1.00 0.00 H new ATOM 0 HA PHE A 169 132.039 -6.696 5.380 1.00 0.00 H new ATOM 0 HB2 PHE A 169 132.404 -9.597 4.583 1.00 0.00 H new ATOM 0 HB3 PHE A 169 130.790 -8.984 4.879 1.00 0.00 H new ATOM 0 HD1 PHE A 169 133.910 -8.285 2.928 1.00 0.00 H new ATOM 0 HD2 PHE A 169 129.671 -7.682 3.249 1.00 0.00 H new ATOM 0 HE1 PHE A 169 133.888 -7.243 0.677 1.00 0.00 H new ATOM 0 HE2 PHE A 169 129.649 -6.635 1.001 1.00 0.00 H new ATOM 0 HZ PHE A 169 131.757 -6.416 -0.285 1.00 0.00 H new ATOM 2334 N ASP A 170 132.399 -9.133 7.593 1.00 0.00 N ATOM 2335 CA ASP A 170 131.982 -9.580 8.919 1.00 0.00 C ATOM 2336 C ASP A 170 132.417 -8.593 10.006 1.00 0.00 C ATOM 2337 O ASP A 170 131.639 -8.263 10.903 1.00 0.00 O ATOM 2338 CB ASP A 170 132.591 -10.953 9.214 1.00 0.00 C ATOM 2339 CG ASP A 170 131.990 -11.532 10.491 1.00 0.00 C ATOM 2340 OD1 ASP A 170 131.085 -10.916 11.029 1.00 0.00 O ATOM 2341 OD2 ASP A 170 132.446 -12.582 10.912 1.00 0.00 O ATOM 0 H ASP A 170 133.136 -9.695 7.167 1.00 0.00 H new ATOM 0 HA ASP A 170 130.894 -9.640 8.925 1.00 0.00 H new ATOM 0 HB2 ASP A 170 132.407 -11.628 8.378 1.00 0.00 H new ATOM 0 HB3 ASP A 170 133.672 -10.864 9.320 1.00 0.00 H new ATOM 2346 N GLU A 171 133.667 -8.139 9.930 1.00 0.00 N ATOM 2347 CA GLU A 171 134.202 -7.209 10.924 1.00 0.00 C ATOM 2348 C GLU A 171 133.551 -5.832 10.825 1.00 0.00 C ATOM 2349 O GLU A 171 133.507 -5.088 11.804 1.00 0.00 O ATOM 2350 CB GLU A 171 135.717 -7.075 10.756 1.00 0.00 C ATOM 2351 CG GLU A 171 136.282 -6.213 11.888 1.00 0.00 C ATOM 2352 CD GLU A 171 137.782 -6.017 11.697 1.00 0.00 C ATOM 2353 OE1 GLU A 171 138.311 -6.546 10.734 1.00 0.00 O ATOM 2354 OE2 GLU A 171 138.379 -5.338 12.517 1.00 0.00 O ATOM 0 H GLU A 171 134.325 -8.398 9.195 1.00 0.00 H new ATOM 0 HA GLU A 171 133.974 -7.617 11.909 1.00 0.00 H new ATOM 0 HB2 GLU A 171 136.183 -8.060 10.767 1.00 0.00 H new ATOM 0 HB3 GLU A 171 135.948 -6.624 9.791 1.00 0.00 H new ATOM 0 HG2 GLU A 171 135.780 -5.246 11.905 1.00 0.00 H new ATOM 0 HG3 GLU A 171 136.089 -6.689 12.849 1.00 0.00 H new ATOM 2361 N ALA A 172 133.050 -5.494 9.645 1.00 0.00 N ATOM 2362 CA ALA A 172 132.412 -4.197 9.451 1.00 0.00 C ATOM 2363 C ALA A 172 131.192 -4.068 10.350 1.00 0.00 C ATOM 2364 O ALA A 172 130.901 -2.990 10.868 1.00 0.00 O ATOM 2365 CB ALA A 172 131.992 -4.030 7.993 1.00 0.00 C ATOM 0 H ALA A 172 133.071 -6.090 8.817 1.00 0.00 H new ATOM 0 HA ALA A 172 133.129 -3.418 9.710 1.00 0.00 H new ATOM 0 HB1 ALA A 172 131.517 -3.058 7.860 1.00 0.00 H new ATOM 0 HB2 ALA A 172 132.871 -4.095 7.351 1.00 0.00 H new ATOM 0 HB3 ALA A 172 131.288 -4.818 7.725 1.00 0.00 H new ATOM 2371 N ILE A 173 130.486 -5.175 10.535 1.00 0.00 N ATOM 2372 CA ILE A 173 129.303 -5.172 11.380 1.00 0.00 C ATOM 2373 C ILE A 173 129.694 -4.774 12.796 1.00 0.00 C ATOM 2374 O ILE A 173 128.960 -4.062 13.483 1.00 0.00 O ATOM 2375 CB ILE A 173 128.665 -6.562 11.392 1.00 0.00 C ATOM 2376 CG1 ILE A 173 128.506 -7.073 9.955 1.00 0.00 C ATOM 2377 CG2 ILE A 173 127.291 -6.491 12.060 1.00 0.00 C ATOM 2378 CD1 ILE A 173 127.994 -5.948 9.050 1.00 0.00 C ATOM 0 H ILE A 173 130.710 -6.077 10.115 1.00 0.00 H new ATOM 0 HA ILE A 173 128.582 -4.456 10.986 1.00 0.00 H new ATOM 0 HB ILE A 173 129.307 -7.244 11.949 1.00 0.00 H new ATOM 0 HG12 ILE A 173 129.462 -7.442 9.584 1.00 0.00 H new ATOM 0 HG13 ILE A 173 127.811 -7.912 9.934 1.00 0.00 H new ATOM 0 HG21 ILE A 173 126.838 -7.483 12.067 1.00 0.00 H new ATOM 0 HG22 ILE A 173 127.402 -6.135 13.084 1.00 0.00 H new ATOM 0 HG23 ILE A 173 126.652 -5.804 11.505 1.00 0.00 H new ATOM 0 HD11 ILE A 173 127.885 -6.321 8.032 1.00 0.00 H new ATOM 0 HD12 ILE A 173 127.028 -5.599 9.414 1.00 0.00 H new ATOM 0 HD13 ILE A 173 128.705 -5.122 9.059 1.00 0.00 H new ATOM 2382 N LEU A 174 130.867 -5.230 13.219 1.00 0.00 N ATOM 2383 CA LEU A 174 131.362 -4.907 14.549 1.00 0.00 C ATOM 2384 C LEU A 174 131.467 -3.394 14.710 1.00 0.00 C ATOM 2385 O LEU A 174 131.219 -2.852 15.786 1.00 0.00 O ATOM 2386 CB LEU A 174 132.735 -5.545 14.766 1.00 0.00 C ATOM 2387 CG LEU A 174 133.185 -5.317 16.211 1.00 0.00 C ATOM 2388 CD1 LEU A 174 132.291 -6.115 17.164 1.00 0.00 C ATOM 2389 CD2 LEU A 174 134.635 -5.778 16.368 1.00 0.00 C ATOM 0 H LEU A 174 131.488 -5.820 12.665 1.00 0.00 H new ATOM 0 HA LEU A 174 130.665 -5.299 15.290 1.00 0.00 H new ATOM 0 HB2 LEU A 174 132.689 -6.613 14.553 1.00 0.00 H new ATOM 0 HB3 LEU A 174 133.461 -5.114 14.076 1.00 0.00 H new ATOM 0 HG LEU A 174 133.109 -4.256 16.450 1.00 0.00 H new ATOM 0 HD11 LEU A 174 132.615 -5.949 18.191 1.00 0.00 H new ATOM 0 HD12 LEU A 174 131.257 -5.788 17.053 1.00 0.00 H new ATOM 0 HD13 LEU A 174 132.363 -7.177 16.927 1.00 0.00 H new ATOM 0 HD21 LEU A 174 134.959 -5.617 17.396 1.00 0.00 H new ATOM 0 HD22 LEU A 174 134.708 -6.838 16.127 1.00 0.00 H new ATOM 0 HD23 LEU A 174 135.273 -5.208 15.693 1.00 0.00 H new ATOM 2395 N ALA A 175 131.839 -2.725 13.623 1.00 0.00 N ATOM 2396 CA ALA A 175 131.980 -1.275 13.633 1.00 0.00 C ATOM 2397 C ALA A 175 130.639 -0.595 13.896 1.00 0.00 C ATOM 2398 O ALA A 175 130.594 0.536 14.377 1.00 0.00 O ATOM 2399 CB ALA A 175 132.540 -0.799 12.292 1.00 0.00 C ATOM 0 H ALA A 175 132.048 -3.164 12.726 1.00 0.00 H new ATOM 0 HA ALA A 175 132.667 -1.006 14.435 1.00 0.00 H new ATOM 0 HB1 ALA A 175 132.643 0.286 12.305 1.00 0.00 H new ATOM 0 HB2 ALA A 175 133.516 -1.254 12.123 1.00 0.00 H new ATOM 0 HB3 ALA A 175 131.861 -1.089 11.490 1.00 0.00 H new ATOM 2405 N ALA A 176 129.548 -1.289 13.582 1.00 0.00 N ATOM 2406 CA ALA A 176 128.219 -0.730 13.799 1.00 0.00 C ATOM 2407 C ALA A 176 127.993 -0.436 15.278 1.00 0.00 C ATOM 2408 O ALA A 176 127.347 0.549 15.633 1.00 0.00 O ATOM 2409 CB ALA A 176 127.155 -1.710 13.308 1.00 0.00 C ATOM 0 H ALA A 176 129.558 -2.227 13.182 1.00 0.00 H new ATOM 0 HA ALA A 176 128.144 0.202 13.239 1.00 0.00 H new ATOM 0 HB1 ALA A 176 126.165 -1.285 13.474 1.00 0.00 H new ATOM 0 HB2 ALA A 176 127.296 -1.897 12.244 1.00 0.00 H new ATOM 0 HB3 ALA A 176 127.244 -2.648 13.856 1.00 0.00 H new ATOM 2415 N LEU A 177 128.530 -1.296 16.136 1.00 0.00 N ATOM 2416 CA LEU A 177 128.378 -1.113 17.575 1.00 0.00 C ATOM 2417 C LEU A 177 128.967 0.226 18.006 1.00 0.00 C ATOM 2418 O LEU A 177 128.473 0.861 18.939 1.00 0.00 O ATOM 2419 CB LEU A 177 129.080 -2.246 18.328 1.00 0.00 C ATOM 2420 CG LEU A 177 128.509 -3.594 17.882 1.00 0.00 C ATOM 2421 CD1 LEU A 177 129.170 -4.716 18.683 1.00 0.00 C ATOM 2422 CD2 LEU A 177 126.998 -3.621 18.129 1.00 0.00 C ATOM 0 H LEU A 177 129.069 -2.118 15.865 1.00 0.00 H new ATOM 0 HA LEU A 177 127.314 -1.127 17.813 1.00 0.00 H new ATOM 0 HB2 LEU A 177 130.152 -2.213 18.136 1.00 0.00 H new ATOM 0 HB3 LEU A 177 128.944 -2.120 19.402 1.00 0.00 H new ATOM 0 HG LEU A 177 128.706 -3.735 16.819 1.00 0.00 H new ATOM 0 HD11 LEU A 177 128.764 -5.677 18.366 1.00 0.00 H new ATOM 0 HD12 LEU A 177 130.246 -4.702 18.510 1.00 0.00 H new ATOM 0 HD13 LEU A 177 128.972 -4.571 19.745 1.00 0.00 H new ATOM 0 HD21 LEU A 177 126.594 -4.582 17.810 1.00 0.00 H new ATOM 0 HD22 LEU A 177 126.800 -3.479 19.191 1.00 0.00 H new ATOM 0 HD23 LEU A 177 126.522 -2.821 17.561 1.00 0.00 H new ATOM 2428 N GLU A 178 130.025 0.651 17.321 1.00 0.00 N ATOM 2429 CA GLU A 178 130.674 1.917 17.643 1.00 0.00 C ATOM 2430 C GLU A 178 129.964 3.076 16.952 1.00 0.00 C ATOM 2431 O GLU A 178 129.631 4.071 17.591 1.00 99.99 O ATOM 2432 CB GLU A 178 132.139 1.878 17.203 1.00 0.00 C ATOM 2433 CG GLU A 178 132.874 0.778 17.972 1.00 0.00 C ATOM 2434 CD GLU A 178 134.346 0.758 17.575 1.00 0.00 C ATOM 2435 OE1 GLU A 178 134.690 1.428 16.615 1.00 0.00 O ATOM 2436 OE2 GLU A 178 135.108 0.072 18.235 1.00 0.00 O ATOM 0 H GLU A 178 130.448 0.141 16.545 1.00 0.00 H new ATOM 0 HA GLU A 178 130.621 2.067 18.721 1.00 0.00 H new ATOM 0 HB2 GLU A 178 132.203 1.692 16.131 1.00 0.00 H new ATOM 0 HB3 GLU A 178 132.611 2.843 17.388 1.00 0.00 H new ATOM 0 HG2 GLU A 178 132.780 0.948 19.045 1.00 0.00 H new ATOM 0 HG3 GLU A 178 132.419 -0.190 17.762 1.00 0.00 H new