USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 640 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 33 CYS SG : rot 62:sc= 0.54 USER MOD Set 1.2: A 88 GLN : amide:sc= -0.355 X(o=0.19,f=0.54) USER MOD Set 2.1: A 9 TYR OH : rot 58:sc=0.000173 USER MOD Set 2.2: A 60 LYS NZ :NH3+ -147:sc= 0.641 (180deg=0.0609) USER MOD Set 2.3: A 66 TYR OH : rot 30:sc= 0.548 USER MOD Set 3.1: A 59 SER OG : rot 64:sc= 1.44 USER MOD Set 3.2: A 61 LYS NZ :NH3+ 160:sc= 1.23 (180deg=1.22) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0.438 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -163:sc= 1.27 (180deg=0.803) USER MOD Single : A 19 TYR OH : rot 130:sc= -0.265 USER MOD Single : A 21 GLN : amide:sc= -0.577 K(o=-0.58,f=-1.2) USER MOD Single : A 23 LYS NZ :NH3+ 160:sc= 1.06 (180deg=0.36) USER MOD Single : A 25 LYS NZ :NH3+ 148:sc= 0.279 (180deg=-1.07!) USER MOD Single : A 28 HIS : no HE2:sc= -0.259 K(o=-0.26,f=-1.3) USER MOD Single : A 37 CYS SG : rot 72:sc= 0.827 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0155 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= 0.501 K(o=0.5,f=-5.3!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -41:sc=0.000968 USER MOD Single : A 72 LYS NZ :NH3+ -176:sc= 2.44 (180deg=2.34) USER MOD Single : A 75 LYS NZ :NH3+ 161:sc= 1.25 (180deg=1.15) USER MOD Single : A 78 THR OG1 : rot 87:sc= 0.128 USER MOD Single : A 81 LYS NZ :NH3+ -128:sc= 1.28 (180deg=-0.416!) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 3.802 0.455 -2.286 1.00 0.00 N ATOM 21 CA ALA A 2 4.432 1.630 -2.906 1.00 0.00 C ATOM 22 C ALA A 2 3.422 2.419 -3.765 1.00 0.00 C ATOM 23 O ALA A 2 2.317 1.937 -4.025 1.00 0.00 O ATOM 24 CB ALA A 2 5.626 1.165 -3.755 1.00 0.00 C ATOM 0 HA ALA A 2 4.781 2.303 -2.123 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.101 2.029 -4.220 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.348 0.653 -3.118 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.277 0.482 -4.530 1.00 0.00 H new ATOM 30 N LEU A 3 3.817 3.595 -4.261 1.00 0.00 N ATOM 31 CA LEU A 3 3.105 4.371 -5.265 1.00 0.00 C ATOM 32 C LEU A 3 3.871 4.286 -6.601 1.00 0.00 C ATOM 33 O LEU A 3 5.027 3.874 -6.638 1.00 0.00 O ATOM 34 CB LEU A 3 2.997 5.830 -4.763 1.00 0.00 C ATOM 35 CG LEU A 3 1.635 6.532 -4.867 1.00 0.00 C ATOM 36 CD1 LEU A 3 0.965 6.379 -6.226 1.00 0.00 C ATOM 37 CD2 LEU A 3 0.668 6.034 -3.799 1.00 0.00 C ATOM 0 H LEU A 3 4.680 4.047 -3.957 1.00 0.00 H new ATOM 0 HA LEU A 3 2.100 3.982 -5.428 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.301 5.846 -3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.723 6.427 -5.315 1.00 0.00 H new ATOM 0 HG LEU A 3 1.859 7.588 -4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.009 6.902 -6.221 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.607 6.804 -6.998 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.800 5.322 -6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.286 6.552 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.514 4.962 -3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.084 6.232 -2.811 1.00 0.00 H new ATOM 49 N ALA A 4 3.233 4.751 -7.670 1.00 0.00 N ATOM 50 CA ALA A 4 3.776 4.897 -9.019 1.00 0.00 C ATOM 51 C ALA A 4 3.471 6.299 -9.580 1.00 0.00 C ATOM 52 O ALA A 4 2.302 6.687 -9.699 1.00 0.00 O ATOM 53 CB ALA A 4 3.196 3.776 -9.891 1.00 0.00 C ATOM 0 H ALA A 4 2.261 5.056 -7.615 1.00 0.00 H new ATOM 0 HA ALA A 4 4.862 4.806 -9.008 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.587 3.864 -10.905 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.479 2.809 -9.476 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.109 3.858 -9.913 1.00 0.00 H new ATOM 59 N VAL A 5 4.506 7.074 -9.915 1.00 0.00 N ATOM 60 CA VAL A 5 4.398 8.430 -10.491 1.00 0.00 C ATOM 61 C VAL A 5 4.909 8.401 -11.930 1.00 0.00 C ATOM 62 O VAL A 5 5.739 7.580 -12.318 1.00 0.00 O ATOM 63 CB VAL A 5 5.146 9.490 -9.649 1.00 0.00 C ATOM 64 CG1 VAL A 5 4.984 10.957 -10.080 1.00 0.00 C ATOM 65 CG2 VAL A 5 4.775 9.473 -8.164 1.00 0.00 C ATOM 0 H VAL A 5 5.473 6.773 -9.792 1.00 0.00 H new ATOM 0 HA VAL A 5 3.349 8.726 -10.482 1.00 0.00 H new ATOM 0 HB VAL A 5 6.173 9.172 -9.829 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.557 11.598 -9.410 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.349 11.079 -11.100 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.931 11.235 -10.036 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.340 10.244 -7.639 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.708 9.666 -8.053 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.013 8.497 -7.741 1.00 0.00 H new ATOM 75 N ARG A 6 4.395 9.290 -12.761 1.00 0.00 N ATOM 76 CA ARG A 6 4.708 9.398 -14.189 1.00 0.00 C ATOM 77 C ARG A 6 4.957 10.831 -14.611 1.00 0.00 C ATOM 78 O ARG A 6 4.421 11.757 -14.007 1.00 0.00 O ATOM 79 CB ARG A 6 3.591 8.751 -15.031 1.00 0.00 C ATOM 80 CG ARG A 6 3.501 7.228 -14.873 1.00 0.00 C ATOM 81 CD ARG A 6 4.794 6.555 -15.339 1.00 0.00 C ATOM 82 NE ARG A 6 4.753 5.104 -15.166 1.00 0.00 N ATOM 83 CZ ARG A 6 5.027 4.411 -14.083 1.00 0.00 C ATOM 84 NH1 ARG A 6 5.155 4.969 -12.921 1.00 0.00 N ATOM 85 NH2 ARG A 6 5.233 3.136 -14.168 1.00 0.00 N ATOM 0 H ARG A 6 3.719 9.989 -12.454 1.00 0.00 H new ATOM 0 HA ARG A 6 5.636 8.855 -14.368 1.00 0.00 H new ATOM 0 HB2 ARG A 6 2.635 9.193 -14.751 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.757 8.989 -16.082 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.311 6.977 -13.829 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.659 6.847 -15.451 1.00 0.00 H new ATOM 0 HD2 ARG A 6 4.966 6.789 -16.390 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.636 6.963 -14.780 1.00 0.00 H new ATOM 0 HE ARG A 6 4.478 4.563 -15.986 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.043 5.978 -12.825 1.00 0.00 H new ATOM 0 HH12 ARG A 6 5.368 4.399 -12.102 1.00 0.00 H new ATOM 0 HH21 ARG A 6 5.183 2.671 -15.074 1.00 0.00 H new ATOM 0 HH22 ARG A 6 5.446 2.597 -13.329 1.00 0.00 H new ATOM 99 N VAL A 7 5.762 10.977 -15.657 1.00 0.00 N ATOM 100 CA VAL A 7 6.195 12.247 -16.232 1.00 0.00 C ATOM 101 C VAL A 7 6.168 12.086 -17.758 1.00 0.00 C ATOM 102 O VAL A 7 7.140 11.604 -18.344 1.00 0.00 O ATOM 103 CB VAL A 7 7.619 12.582 -15.727 1.00 0.00 C ATOM 104 CG1 VAL A 7 8.074 13.956 -16.233 1.00 0.00 C ATOM 105 CG2 VAL A 7 7.811 12.548 -14.202 1.00 0.00 C ATOM 0 H VAL A 7 6.150 10.174 -16.152 1.00 0.00 H new ATOM 0 HA VAL A 7 5.540 13.067 -15.936 1.00 0.00 H new ATOM 0 HB VAL A 7 8.229 11.777 -16.138 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.078 14.166 -15.863 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.081 13.958 -17.323 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.387 14.722 -15.873 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.844 12.798 -13.960 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.143 13.272 -13.735 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.582 11.550 -13.829 1.00 0.00 H new ATOM 115 N VAL A 8 5.044 12.399 -18.410 1.00 0.00 N ATOM 116 CA VAL A 8 4.970 12.402 -19.882 1.00 0.00 C ATOM 117 C VAL A 8 5.622 13.681 -20.384 1.00 0.00 C ATOM 118 O VAL A 8 5.100 14.760 -20.127 1.00 0.00 O ATOM 119 CB VAL A 8 3.530 12.310 -20.420 1.00 0.00 C ATOM 120 CG1 VAL A 8 3.525 12.139 -21.947 1.00 0.00 C ATOM 121 CG2 VAL A 8 2.750 11.146 -19.802 1.00 0.00 C ATOM 0 H VAL A 8 4.172 12.654 -17.946 1.00 0.00 H new ATOM 0 HA VAL A 8 5.489 11.515 -20.245 1.00 0.00 H new ATOM 0 HB VAL A 8 3.043 13.245 -20.143 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.497 12.076 -22.303 1.00 0.00 H new ATOM 0 HG12 VAL A 8 4.018 12.994 -22.410 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.057 11.225 -22.213 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.741 11.125 -20.214 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.255 10.208 -20.030 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.698 11.276 -18.721 1.00 0.00 H new ATOM 131 N TYR A 9 6.758 13.580 -21.080 1.00 0.00 N ATOM 132 CA TYR A 9 7.432 14.698 -21.758 1.00 0.00 C ATOM 133 C TYR A 9 8.045 14.232 -23.094 1.00 0.00 C ATOM 134 O TYR A 9 7.845 13.085 -23.472 1.00 0.00 O ATOM 135 CB TYR A 9 8.467 15.354 -20.828 1.00 0.00 C ATOM 136 CG TYR A 9 9.062 16.649 -21.367 1.00 0.00 C ATOM 137 CD1 TYR A 9 8.212 17.683 -21.809 1.00 0.00 C ATOM 138 CD2 TYR A 9 10.458 16.823 -21.449 1.00 0.00 C ATOM 139 CE1 TYR A 9 8.740 18.893 -22.293 1.00 0.00 C ATOM 140 CE2 TYR A 9 10.994 18.033 -21.937 1.00 0.00 C ATOM 141 CZ TYR A 9 10.136 19.071 -22.359 1.00 0.00 C ATOM 142 OH TYR A 9 10.643 20.248 -22.812 1.00 0.00 O ATOM 0 H TYR A 9 7.251 12.694 -21.192 1.00 0.00 H new ATOM 0 HA TYR A 9 6.695 15.464 -21.998 1.00 0.00 H new ATOM 0 HB2 TYR A 9 7.997 15.557 -19.866 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.275 14.645 -20.645 1.00 0.00 H new ATOM 0 HD1 TYR A 9 7.141 17.544 -21.775 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.119 16.028 -21.137 1.00 0.00 H new ATOM 0 HE1 TYR A 9 8.077 19.683 -22.613 1.00 0.00 H new ATOM 0 HE2 TYR A 9 12.065 18.166 -21.988 1.00 0.00 H new ATOM 0 HH TYR A 9 10.306 20.984 -22.259 1.00 0.00 H new ATOM 152 N SER A 10 8.768 15.085 -23.828 1.00 0.00 N ATOM 153 CA SER A 10 9.294 14.806 -25.171 1.00 0.00 C ATOM 154 C SER A 10 10.814 14.669 -25.198 1.00 0.00 C ATOM 155 O SER A 10 11.529 15.170 -24.330 1.00 0.00 O ATOM 156 CB SER A 10 8.879 15.921 -26.136 1.00 0.00 C ATOM 157 OG SER A 10 8.904 15.454 -27.468 1.00 0.00 O ATOM 0 H SER A 10 9.011 16.018 -23.494 1.00 0.00 H new ATOM 0 HA SER A 10 8.870 13.850 -25.479 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.878 16.273 -25.886 1.00 0.00 H new ATOM 0 HB3 SER A 10 9.552 16.772 -26.030 1.00 0.00 H new ATOM 0 HG SER A 10 8.635 16.176 -28.073 1.00 0.00 H new ATOM 163 N GLY A 11 11.301 14.070 -26.280 1.00 0.00 N ATOM 164 CA GLY A 11 12.714 13.814 -26.579 1.00 0.00 C ATOM 165 C GLY A 11 13.489 15.033 -27.092 1.00 0.00 C ATOM 166 O GLY A 11 14.457 14.867 -27.826 1.00 0.00 O ATOM 0 H GLY A 11 10.686 13.728 -27.019 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.201 13.443 -25.677 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.776 13.021 -27.324 1.00 0.00 H new ATOM 170 N ALA A 12 13.079 16.253 -26.728 1.00 0.00 N ATOM 171 CA ALA A 12 13.512 17.547 -27.280 1.00 0.00 C ATOM 172 C ALA A 12 14.984 17.950 -26.995 1.00 0.00 C ATOM 173 O ALA A 12 15.338 19.122 -27.109 1.00 0.00 O ATOM 174 CB ALA A 12 12.526 18.600 -26.750 1.00 0.00 C ATOM 0 H ALA A 12 12.387 16.374 -25.988 1.00 0.00 H new ATOM 0 HA ALA A 12 13.497 17.468 -28.367 1.00 0.00 H new ATOM 0 HB1 ALA A 12 12.803 19.583 -27.131 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.517 18.353 -27.082 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.557 18.612 -25.661 1.00 0.00 H new ATOM 180 N CYS A 13 15.843 17.002 -26.605 1.00 0.00 N ATOM 181 CA CYS A 13 17.112 17.222 -25.904 1.00 0.00 C ATOM 182 C CYS A 13 16.928 18.032 -24.597 1.00 0.00 C ATOM 183 O CYS A 13 15.805 18.282 -24.163 1.00 0.00 O ATOM 184 CB CYS A 13 18.140 17.807 -26.886 1.00 0.00 C ATOM 185 SG CYS A 13 19.828 17.477 -26.298 1.00 0.00 S ATOM 0 H CYS A 13 15.663 16.013 -26.778 1.00 0.00 H new ATOM 0 HA CYS A 13 17.511 16.268 -25.559 1.00 0.00 H new ATOM 0 HB2 CYS A 13 17.999 17.370 -27.874 1.00 0.00 H new ATOM 0 HB3 CYS A 13 17.986 18.881 -26.988 1.00 0.00 H new ATOM 0 HG CYS A 13 20.685 17.975 -27.139 1.00 0.00 H new ATOM 191 N GLY A 14 18.018 18.325 -23.878 1.00 0.00 N ATOM 192 CA GLY A 14 18.071 19.069 -22.605 1.00 0.00 C ATOM 193 C GLY A 14 17.405 18.412 -21.381 1.00 0.00 C ATOM 194 O GLY A 14 17.866 18.601 -20.260 1.00 0.00 O ATOM 0 H GLY A 14 18.946 18.033 -24.185 1.00 0.00 H new ATOM 0 HA2 GLY A 14 19.118 19.252 -22.363 1.00 0.00 H new ATOM 0 HA3 GLY A 14 17.606 20.042 -22.762 1.00 0.00 H new ATOM 198 N TYR A 15 16.347 17.623 -21.575 1.00 0.00 N ATOM 199 CA TYR A 15 15.446 17.128 -20.535 1.00 0.00 C ATOM 200 C TYR A 15 16.135 16.320 -19.433 1.00 0.00 C ATOM 201 O TYR A 15 15.803 16.507 -18.271 1.00 0.00 O ATOM 202 CB TYR A 15 14.291 16.330 -21.173 1.00 0.00 C ATOM 203 CG TYR A 15 14.624 14.921 -21.636 1.00 0.00 C ATOM 204 CD1 TYR A 15 15.437 14.728 -22.770 1.00 0.00 C ATOM 205 CD2 TYR A 15 14.120 13.802 -20.934 1.00 0.00 C ATOM 206 CE1 TYR A 15 15.798 13.426 -23.168 1.00 0.00 C ATOM 207 CE2 TYR A 15 14.471 12.500 -21.338 1.00 0.00 C ATOM 208 CZ TYR A 15 15.327 12.313 -22.444 1.00 0.00 C ATOM 209 OH TYR A 15 15.725 11.064 -22.795 1.00 0.00 O ATOM 0 H TYR A 15 16.083 17.297 -22.505 1.00 0.00 H new ATOM 0 HA TYR A 15 15.050 18.009 -20.030 1.00 0.00 H new ATOM 0 HB2 TYR A 15 13.476 16.270 -20.451 1.00 0.00 H new ATOM 0 HB3 TYR A 15 13.918 16.893 -22.029 1.00 0.00 H new ATOM 0 HD1 TYR A 15 15.784 15.580 -23.335 1.00 0.00 H new ATOM 0 HD2 TYR A 15 13.465 13.946 -20.087 1.00 0.00 H new ATOM 0 HE1 TYR A 15 16.435 13.281 -24.028 1.00 0.00 H new ATOM 0 HE2 TYR A 15 14.086 11.645 -20.802 1.00 0.00 H new ATOM 0 HH TYR A 15 15.311 10.408 -22.196 1.00 0.00 H new ATOM 219 N LYS A 16 17.090 15.441 -19.767 1.00 0.00 N ATOM 220 CA LYS A 16 17.650 14.422 -18.853 1.00 0.00 C ATOM 221 C LYS A 16 18.033 14.942 -17.455 1.00 0.00 C ATOM 222 O LYS A 16 17.521 14.381 -16.491 1.00 0.00 O ATOM 223 CB LYS A 16 18.789 13.624 -19.516 1.00 0.00 C ATOM 224 CG LYS A 16 18.292 12.854 -20.750 1.00 0.00 C ATOM 225 CD LYS A 16 19.340 11.921 -21.374 1.00 0.00 C ATOM 226 CE LYS A 16 19.598 10.688 -20.495 1.00 0.00 C ATOM 227 NZ LYS A 16 20.465 9.695 -21.180 1.00 0.00 N ATOM 0 H LYS A 16 17.507 15.414 -20.698 1.00 0.00 H new ATOM 0 HA LYS A 16 16.826 13.734 -18.663 1.00 0.00 H new ATOM 0 HB2 LYS A 16 19.589 14.304 -19.808 1.00 0.00 H new ATOM 0 HB3 LYS A 16 19.212 12.924 -18.795 1.00 0.00 H new ATOM 0 HG2 LYS A 16 17.419 12.265 -20.469 1.00 0.00 H new ATOM 0 HG3 LYS A 16 17.965 13.570 -21.504 1.00 0.00 H new ATOM 0 HD2 LYS A 16 19.002 11.601 -22.359 1.00 0.00 H new ATOM 0 HD3 LYS A 16 20.273 12.466 -21.519 1.00 0.00 H new ATOM 0 HE2 LYS A 16 20.068 10.999 -19.562 1.00 0.00 H new ATOM 0 HE3 LYS A 16 18.648 10.222 -20.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 20.617 8.877 -20.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 20.005 9.380 -22.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 21.381 10.132 -21.407 1.00 0.00 H new ATOM 241 N PRO A 17 18.870 15.983 -17.285 1.00 0.00 N ATOM 242 CA PRO A 17 19.134 16.551 -15.963 1.00 0.00 C ATOM 243 C PRO A 17 17.921 17.252 -15.339 1.00 0.00 C ATOM 244 O PRO A 17 17.717 17.074 -14.146 1.00 0.00 O ATOM 245 CB PRO A 17 20.312 17.514 -16.156 1.00 0.00 C ATOM 246 CG PRO A 17 20.210 17.911 -17.629 1.00 0.00 C ATOM 247 CD PRO A 17 19.710 16.626 -18.283 1.00 0.00 C ATOM 0 HA PRO A 17 19.366 15.757 -15.253 1.00 0.00 H new ATOM 0 HB2 PRO A 17 20.233 18.381 -15.500 1.00 0.00 H new ATOM 0 HB3 PRO A 17 21.265 17.032 -15.935 1.00 0.00 H new ATOM 0 HG2 PRO A 17 19.517 18.739 -17.779 1.00 0.00 H new ATOM 0 HG3 PRO A 17 21.173 18.224 -18.033 1.00 0.00 H new ATOM 0 HD2 PRO A 17 19.146 16.841 -19.191 1.00 0.00 H new ATOM 0 HD3 PRO A 17 20.542 15.982 -18.570 1.00 0.00 H new ATOM 255 N LYS A 18 17.073 17.991 -16.078 1.00 0.00 N ATOM 256 CA LYS A 18 15.846 18.590 -15.493 1.00 0.00 C ATOM 257 C LYS A 18 14.876 17.505 -15.003 1.00 0.00 C ATOM 258 O LYS A 18 14.261 17.657 -13.952 1.00 0.00 O ATOM 259 CB LYS A 18 15.161 19.558 -16.485 1.00 0.00 C ATOM 260 CG LYS A 18 14.853 20.962 -15.914 1.00 0.00 C ATOM 261 CD LYS A 18 13.752 21.059 -14.835 1.00 0.00 C ATOM 262 CE LYS A 18 13.386 22.546 -14.622 1.00 0.00 C ATOM 263 NZ LYS A 18 12.301 22.769 -13.629 1.00 0.00 N ATOM 0 H LYS A 18 17.207 18.189 -17.070 1.00 0.00 H new ATOM 0 HA LYS A 18 16.147 19.176 -14.625 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.800 19.670 -17.361 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.229 19.107 -16.825 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.774 21.365 -15.494 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.571 21.610 -16.744 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.872 20.495 -15.144 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.101 20.619 -13.901 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.276 23.085 -14.298 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.083 22.975 -15.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.916 23.728 -13.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.544 22.071 -13.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.683 22.664 -12.668 1.00 0.00 H new ATOM 277 N TYR A 19 14.782 16.393 -15.733 1.00 0.00 N ATOM 278 CA TYR A 19 14.014 15.198 -15.403 1.00 0.00 C ATOM 279 C TYR A 19 14.494 14.613 -14.082 1.00 0.00 C ATOM 280 O TYR A 19 13.728 14.520 -13.133 1.00 0.00 O ATOM 281 CB TYR A 19 14.145 14.159 -16.526 1.00 0.00 C ATOM 282 CG TYR A 19 13.291 12.934 -16.287 1.00 0.00 C ATOM 283 CD1 TYR A 19 13.772 11.905 -15.452 1.00 0.00 C ATOM 284 CD2 TYR A 19 11.994 12.857 -16.827 1.00 0.00 C ATOM 285 CE1 TYR A 19 12.925 10.853 -15.076 1.00 0.00 C ATOM 286 CE2 TYR A 19 11.159 11.778 -16.488 1.00 0.00 C ATOM 287 CZ TYR A 19 11.608 10.809 -15.564 1.00 0.00 C ATOM 288 OH TYR A 19 10.782 9.850 -15.087 1.00 0.00 O ATOM 0 H TYR A 19 15.270 16.300 -16.624 1.00 0.00 H new ATOM 0 HA TYR A 19 12.964 15.472 -15.301 1.00 0.00 H new ATOM 0 HB2 TYR A 19 13.861 14.616 -17.474 1.00 0.00 H new ATOM 0 HB3 TYR A 19 15.189 13.858 -16.617 1.00 0.00 H new ATOM 0 HD1 TYR A 19 14.793 11.927 -15.102 1.00 0.00 H new ATOM 0 HD2 TYR A 19 11.641 13.624 -17.500 1.00 0.00 H new ATOM 0 HE1 TYR A 19 13.284 10.079 -14.414 1.00 0.00 H new ATOM 0 HE2 TYR A 19 10.178 11.691 -16.932 1.00 0.00 H new ATOM 0 HH TYR A 19 9.939 10.258 -14.799 1.00 0.00 H new ATOM 298 N LEU A 20 15.779 14.257 -14.016 1.00 0.00 N ATOM 299 CA LEU A 20 16.423 13.791 -12.784 1.00 0.00 C ATOM 300 C LEU A 20 16.243 14.795 -11.648 1.00 0.00 C ATOM 301 O LEU A 20 15.925 14.391 -10.549 1.00 0.00 O ATOM 302 CB LEU A 20 17.924 13.553 -12.995 1.00 0.00 C ATOM 303 CG LEU A 20 18.331 12.115 -13.365 1.00 0.00 C ATOM 304 CD1 LEU A 20 18.050 11.762 -14.827 1.00 0.00 C ATOM 305 CD2 LEU A 20 19.830 11.920 -13.124 1.00 0.00 C ATOM 0 H LEU A 20 16.406 14.284 -14.820 1.00 0.00 H new ATOM 0 HA LEU A 20 15.940 12.851 -12.516 1.00 0.00 H new ATOM 0 HB2 LEU A 20 18.271 14.222 -13.782 1.00 0.00 H new ATOM 0 HB3 LEU A 20 18.449 13.835 -12.082 1.00 0.00 H new ATOM 0 HG LEU A 20 17.729 11.462 -12.733 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.361 10.735 -15.020 1.00 0.00 H new ATOM 0 HD12 LEU A 20 16.983 11.862 -15.027 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.606 12.437 -15.478 1.00 0.00 H new ATOM 0 HD21 LEU A 20 20.111 10.900 -13.388 1.00 0.00 H new ATOM 0 HD22 LEU A 20 20.392 12.622 -13.740 1.00 0.00 H new ATOM 0 HD23 LEU A 20 20.056 12.098 -12.073 1.00 0.00 H new ATOM 317 N GLN A 21 16.414 16.092 -11.864 1.00 0.00 N ATOM 318 CA GLN A 21 16.366 17.092 -10.815 1.00 0.00 C ATOM 319 C GLN A 21 14.968 17.220 -10.187 1.00 0.00 C ATOM 320 O GLN A 21 14.883 17.510 -8.994 1.00 0.00 O ATOM 321 CB GLN A 21 16.888 18.398 -11.438 1.00 0.00 C ATOM 322 CG GLN A 21 16.960 19.564 -10.459 1.00 0.00 C ATOM 323 CD GLN A 21 15.637 20.311 -10.291 1.00 0.00 C ATOM 324 OE1 GLN A 21 14.874 20.520 -11.219 1.00 0.00 O ATOM 325 NE2 GLN A 21 15.306 20.769 -9.107 1.00 0.00 N ATOM 0 H GLN A 21 16.593 16.482 -12.790 1.00 0.00 H new ATOM 0 HA GLN A 21 16.995 16.808 -9.971 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.881 18.221 -11.850 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.242 18.675 -12.271 1.00 0.00 H new ATOM 0 HG2 GLN A 21 17.282 19.191 -9.487 1.00 0.00 H new ATOM 0 HG3 GLN A 21 17.722 20.265 -10.799 1.00 0.00 H new ATOM 0 HE21 GLN A 21 15.922 20.612 -8.309 1.00 0.00 H new ATOM 0 HE22 GLN A 21 14.433 21.282 -8.984 1.00 0.00 H new ATOM 334 N LEU A 22 13.899 16.941 -10.943 1.00 0.00 N ATOM 335 CA LEU A 22 12.572 16.625 -10.405 1.00 0.00 C ATOM 336 C LEU A 22 12.523 15.237 -9.739 1.00 0.00 C ATOM 337 O LEU A 22 12.062 15.116 -8.603 1.00 0.00 O ATOM 338 CB LEU A 22 11.538 16.736 -11.546 1.00 0.00 C ATOM 339 CG LEU A 22 10.102 16.315 -11.164 1.00 0.00 C ATOM 340 CD1 LEU A 22 9.554 17.184 -10.035 1.00 0.00 C ATOM 341 CD2 LEU A 22 9.178 16.460 -12.373 1.00 0.00 C ATOM 0 H LEU A 22 13.933 16.929 -11.962 1.00 0.00 H new ATOM 0 HA LEU A 22 12.335 17.341 -9.619 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.517 17.767 -11.899 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.872 16.120 -12.381 1.00 0.00 H new ATOM 0 HG LEU A 22 10.139 15.277 -10.833 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.542 16.864 -9.788 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.191 17.083 -9.156 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.537 18.226 -10.353 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.167 16.161 -12.096 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.172 17.499 -12.704 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.535 15.824 -13.183 1.00 0.00 H new ATOM 353 N LYS A 23 12.965 14.191 -10.453 1.00 0.00 N ATOM 354 CA LYS A 23 12.744 12.781 -10.080 1.00 0.00 C ATOM 355 C LYS A 23 13.524 12.382 -8.839 1.00 0.00 C ATOM 356 O LYS A 23 12.931 11.921 -7.870 1.00 0.00 O ATOM 357 CB LYS A 23 13.086 11.828 -11.246 1.00 0.00 C ATOM 358 CG LYS A 23 12.218 10.579 -11.238 1.00 0.00 C ATOM 359 CD LYS A 23 12.855 9.398 -10.491 1.00 0.00 C ATOM 360 CE LYS A 23 13.709 8.564 -11.435 1.00 0.00 C ATOM 361 NZ LYS A 23 13.967 7.238 -10.831 1.00 0.00 N ATOM 0 H LYS A 23 13.494 14.300 -11.318 1.00 0.00 H new ATOM 0 HA LYS A 23 11.682 12.690 -9.851 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.956 12.353 -12.192 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.135 11.540 -11.182 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.259 10.815 -10.778 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.014 10.281 -12.266 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.468 9.769 -9.669 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.075 8.776 -10.052 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.201 8.446 -12.392 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.652 9.073 -11.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.242 6.565 -11.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.736 7.317 -10.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.105 6.898 -10.358 1.00 0.00 H new ATOM 375 N GLU A 24 14.842 12.599 -8.887 1.00 0.00 N ATOM 376 CA GLU A 24 15.783 12.461 -7.768 1.00 0.00 C ATOM 377 C GLU A 24 15.211 13.026 -6.473 1.00 0.00 C ATOM 378 O GLU A 24 15.250 12.351 -5.456 1.00 0.00 O ATOM 379 CB GLU A 24 17.101 13.196 -8.087 1.00 0.00 C ATOM 380 CG GLU A 24 18.202 12.961 -7.033 1.00 0.00 C ATOM 381 CD GLU A 24 18.495 14.262 -6.279 1.00 0.00 C ATOM 382 OE1 GLU A 24 19.212 15.123 -6.842 1.00 0.00 O ATOM 383 OE2 GLU A 24 17.882 14.541 -5.220 1.00 0.00 O ATOM 0 H GLU A 24 15.305 12.890 -9.748 1.00 0.00 H new ATOM 0 HA GLU A 24 15.966 11.395 -7.633 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.465 12.869 -9.061 1.00 0.00 H new ATOM 0 HB3 GLU A 24 16.903 14.265 -8.163 1.00 0.00 H new ATOM 0 HG2 GLU A 24 17.886 12.188 -6.332 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.109 12.600 -7.518 1.00 0.00 H new ATOM 390 N LYS A 25 14.644 14.238 -6.515 1.00 0.00 N ATOM 391 CA LYS A 25 14.134 14.917 -5.319 1.00 0.00 C ATOM 392 C LYS A 25 12.988 14.166 -4.649 1.00 0.00 C ATOM 393 O LYS A 25 12.941 14.062 -3.431 1.00 0.00 O ATOM 394 CB LYS A 25 13.724 16.358 -5.681 1.00 0.00 C ATOM 395 CG LYS A 25 14.286 17.396 -4.702 1.00 0.00 C ATOM 396 CD LYS A 25 15.820 17.417 -4.588 1.00 0.00 C ATOM 397 CE LYS A 25 16.501 17.414 -5.963 1.00 0.00 C ATOM 398 NZ LYS A 25 17.953 17.190 -5.823 1.00 0.00 N ATOM 0 H LYS A 25 14.526 14.773 -7.375 1.00 0.00 H new ATOM 0 HA LYS A 25 14.939 14.942 -4.585 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.072 16.588 -6.688 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.636 16.429 -5.695 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.946 18.385 -5.009 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.866 17.207 -3.714 1.00 0.00 H new ATOM 0 HD2 LYS A 25 16.130 18.302 -4.032 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.153 16.550 -4.017 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.066 16.635 -6.589 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.321 18.364 -6.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.306 16.670 -6.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.441 18.106 -5.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.137 16.635 -4.963 1.00 0.00 H new ATOM 412 N LEU A 26 12.058 13.669 -5.452 1.00 0.00 N ATOM 413 CA LEU A 26 10.870 12.949 -5.023 1.00 0.00 C ATOM 414 C LEU A 26 11.205 11.551 -4.479 1.00 0.00 C ATOM 415 O LEU A 26 10.742 11.164 -3.412 1.00 0.00 O ATOM 416 CB LEU A 26 9.904 12.949 -6.223 1.00 0.00 C ATOM 417 CG LEU A 26 8.462 13.297 -5.848 1.00 0.00 C ATOM 418 CD1 LEU A 26 8.273 14.722 -5.310 1.00 0.00 C ATOM 419 CD2 LEU A 26 7.579 13.170 -7.095 1.00 0.00 C ATOM 0 H LEU A 26 12.115 13.762 -6.466 1.00 0.00 H new ATOM 0 HA LEU A 26 10.390 13.437 -4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.260 13.663 -6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.921 11.966 -6.693 1.00 0.00 H new ATOM 0 HG LEU A 26 8.189 12.603 -5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.222 14.884 -5.069 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.876 14.855 -4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.587 15.441 -6.067 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.549 13.416 -6.838 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.935 13.856 -7.864 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.625 12.148 -7.471 1.00 0.00 H new ATOM 431 N GLU A 27 12.067 10.818 -5.178 1.00 0.00 N ATOM 432 CA GLU A 27 12.679 9.568 -4.715 1.00 0.00 C ATOM 433 C GLU A 27 13.539 9.723 -3.449 1.00 0.00 C ATOM 434 O GLU A 27 13.478 8.875 -2.563 1.00 0.00 O ATOM 435 CB GLU A 27 13.503 8.988 -5.881 1.00 0.00 C ATOM 436 CG GLU A 27 12.839 7.726 -6.434 1.00 0.00 C ATOM 437 CD GLU A 27 13.356 7.325 -7.828 1.00 0.00 C ATOM 438 OE1 GLU A 27 14.520 7.622 -8.200 1.00 0.00 O ATOM 439 OE2 GLU A 27 12.578 6.748 -8.620 1.00 0.00 O ATOM 0 H GLU A 27 12.372 11.084 -6.115 1.00 0.00 H new ATOM 0 HA GLU A 27 11.880 8.887 -4.421 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.598 9.732 -6.672 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.512 8.755 -5.540 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.008 6.902 -5.741 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.762 7.884 -6.485 1.00 0.00 H new ATOM 446 N HIS A 28 14.305 10.811 -3.328 1.00 0.00 N ATOM 447 CA HIS A 28 15.041 11.178 -2.112 1.00 0.00 C ATOM 448 C HIS A 28 14.102 11.474 -0.940 1.00 0.00 C ATOM 449 O HIS A 28 14.377 11.083 0.197 1.00 0.00 O ATOM 450 CB HIS A 28 15.911 12.411 -2.400 1.00 0.00 C ATOM 451 CG HIS A 28 16.665 12.982 -1.218 1.00 0.00 C ATOM 452 ND1 HIS A 28 16.899 12.378 -0.002 1.00 0.00 N ATOM 453 CD2 HIS A 28 17.151 14.257 -1.135 1.00 0.00 C ATOM 454 CE1 HIS A 28 17.528 13.265 0.788 1.00 0.00 C ATOM 455 NE2 HIS A 28 17.713 14.422 0.137 1.00 0.00 N ATOM 0 H HIS A 28 14.434 11.477 -4.090 1.00 0.00 H new ATOM 0 HA HIS A 28 15.664 10.330 -1.828 1.00 0.00 H new ATOM 0 HB2 HIS A 28 16.633 12.149 -3.174 1.00 0.00 H new ATOM 0 HB3 HIS A 28 15.273 13.193 -2.811 1.00 0.00 H new ATOM 0 HD1 HIS A 28 16.640 11.425 0.254 1.00 0.00 H new ATOM 0 HD2 HIS A 28 17.109 15.005 -1.913 1.00 0.00 H new ATOM 0 HE1 HIS A 28 17.840 13.073 1.804 1.00 0.00 H new ATOM 463 N GLU A 29 13.009 12.189 -1.207 1.00 0.00 N ATOM 464 CA GLU A 29 12.000 12.526 -0.216 1.00 0.00 C ATOM 465 C GLU A 29 11.221 11.299 0.285 1.00 0.00 C ATOM 466 O GLU A 29 10.797 11.269 1.442 1.00 0.00 O ATOM 467 CB GLU A 29 11.013 13.514 -0.841 1.00 0.00 C ATOM 468 CG GLU A 29 11.339 14.995 -0.555 1.00 0.00 C ATOM 469 CD GLU A 29 10.110 15.738 -0.034 1.00 0.00 C ATOM 470 OE1 GLU A 29 8.993 15.542 -0.558 1.00 0.00 O ATOM 471 OE2 GLU A 29 10.172 16.407 1.024 1.00 0.00 O ATOM 0 H GLU A 29 12.801 12.554 -2.136 1.00 0.00 H new ATOM 0 HA GLU A 29 12.514 12.958 0.643 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.994 13.359 -1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.012 13.295 -0.470 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.144 15.059 0.177 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.698 15.474 -1.466 1.00 0.00 H new ATOM 478 N PHE A 30 11.007 10.309 -0.589 1.00 0.00 N ATOM 479 CA PHE A 30 10.185 9.119 -0.370 1.00 0.00 C ATOM 480 C PHE A 30 10.865 7.823 -0.866 1.00 0.00 C ATOM 481 O PHE A 30 10.365 7.180 -1.798 1.00 0.00 O ATOM 482 CB PHE A 30 8.837 9.324 -1.074 1.00 0.00 C ATOM 483 CG PHE A 30 8.163 10.654 -0.826 1.00 0.00 C ATOM 484 CD1 PHE A 30 7.717 10.980 0.463 1.00 0.00 C ATOM 485 CD2 PHE A 30 8.038 11.589 -1.870 1.00 0.00 C ATOM 486 CE1 PHE A 30 7.166 12.244 0.706 1.00 0.00 C ATOM 487 CE2 PHE A 30 7.491 12.857 -1.625 1.00 0.00 C ATOM 488 CZ PHE A 30 7.044 13.181 -0.338 1.00 0.00 C ATOM 0 H PHE A 30 11.427 10.320 -1.518 1.00 0.00 H new ATOM 0 HA PHE A 30 10.042 8.994 0.703 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.987 9.208 -2.147 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.159 8.530 -0.760 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.798 10.260 1.264 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.365 11.329 -2.866 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.832 12.502 1.700 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.415 13.579 -2.424 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.606 14.149 -0.146 1.00 0.00 H new ATOM 498 N PRO A 31 11.987 7.390 -0.265 1.00 0.00 N ATOM 499 CA PRO A 31 12.711 6.226 -0.760 1.00 0.00 C ATOM 500 C PRO A 31 11.875 4.951 -0.614 1.00 0.00 C ATOM 501 O PRO A 31 11.236 4.731 0.415 1.00 0.00 O ATOM 502 CB PRO A 31 14.016 6.171 0.034 1.00 0.00 C ATOM 503 CG PRO A 31 13.689 6.933 1.320 1.00 0.00 C ATOM 504 CD PRO A 31 12.681 7.987 0.862 1.00 0.00 C ATOM 0 HA PRO A 31 12.922 6.304 -1.827 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.315 5.144 0.242 1.00 0.00 H new ATOM 0 HB3 PRO A 31 14.836 6.638 -0.511 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.266 6.276 2.080 1.00 0.00 H new ATOM 0 HG3 PRO A 31 14.579 7.390 1.753 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.986 8.240 1.662 1.00 0.00 H new ATOM 0 HD3 PRO A 31 13.182 8.910 0.571 1.00 0.00 H new ATOM 512 N GLY A 32 11.852 4.139 -1.676 1.00 0.00 N ATOM 513 CA GLY A 32 11.257 2.791 -1.770 1.00 0.00 C ATOM 514 C GLY A 32 9.737 2.674 -1.618 1.00 0.00 C ATOM 515 O GLY A 32 9.118 1.733 -2.114 1.00 0.00 O ATOM 0 H GLY A 32 12.278 4.422 -2.559 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.531 2.370 -2.737 1.00 0.00 H new ATOM 0 HA3 GLY A 32 11.720 2.166 -1.007 1.00 0.00 H new ATOM 519 N CYS A 33 9.116 3.643 -0.955 1.00 0.00 N ATOM 520 CA CYS A 33 7.683 3.843 -0.842 1.00 0.00 C ATOM 521 C CYS A 33 7.080 4.357 -2.156 1.00 0.00 C ATOM 522 O CYS A 33 5.861 4.481 -2.293 1.00 0.00 O ATOM 523 CB CYS A 33 7.406 4.830 0.294 1.00 0.00 C ATOM 524 SG CYS A 33 8.335 4.421 1.807 1.00 0.00 S ATOM 0 H CYS A 33 9.640 4.357 -0.449 1.00 0.00 H new ATOM 0 HA CYS A 33 7.212 2.884 -0.624 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.669 5.837 -0.030 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.339 4.835 0.516 1.00 0.00 H new ATOM 0 HG CYS A 33 9.610 4.482 1.563 1.00 0.00 H new ATOM 530 N LEU A 34 7.934 4.703 -3.119 1.00 0.00 N ATOM 531 CA LEU A 34 7.550 5.334 -4.362 1.00 0.00 C ATOM 532 C LEU A 34 8.451 4.929 -5.525 1.00 0.00 C ATOM 533 O LEU A 34 9.619 4.583 -5.377 1.00 0.00 O ATOM 534 CB LEU A 34 7.606 6.857 -4.157 1.00 0.00 C ATOM 535 CG LEU A 34 6.219 7.503 -4.048 1.00 0.00 C ATOM 536 CD1 LEU A 34 6.209 8.757 -3.188 1.00 0.00 C ATOM 537 CD2 LEU A 34 5.762 7.942 -5.427 1.00 0.00 C ATOM 0 H LEU A 34 8.939 4.543 -3.045 1.00 0.00 H new ATOM 0 HA LEU A 34 6.543 5.008 -4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.173 7.075 -3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.146 7.310 -4.989 1.00 0.00 H new ATOM 0 HG LEU A 34 5.571 6.751 -3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.199 9.165 -3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.537 8.509 -2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.884 9.498 -3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.776 8.402 -5.354 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.471 8.664 -5.832 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.710 7.075 -6.086 1.00 0.00 H new ATOM 549 N ASP A 35 7.862 5.105 -6.693 1.00 0.00 N ATOM 550 CA ASP A 35 8.421 5.103 -8.035 1.00 0.00 C ATOM 551 C ASP A 35 8.055 6.419 -8.712 1.00 0.00 C ATOM 552 O ASP A 35 6.958 6.948 -8.507 1.00 0.00 O ATOM 553 CB ASP A 35 7.737 3.963 -8.790 1.00 0.00 C ATOM 554 CG ASP A 35 7.756 4.035 -10.322 1.00 0.00 C ATOM 555 OD1 ASP A 35 8.833 4.196 -10.932 1.00 0.00 O ATOM 556 OD2 ASP A 35 6.646 3.980 -10.910 1.00 0.00 O ATOM 0 H ASP A 35 6.857 5.274 -6.728 1.00 0.00 H new ATOM 0 HA ASP A 35 9.504 4.983 -8.020 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.207 3.027 -8.489 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.697 3.917 -8.465 1.00 0.00 H new ATOM 561 N ILE A 36 8.919 6.866 -9.609 1.00 0.00 N ATOM 562 CA ILE A 36 8.603 7.781 -10.690 1.00 0.00 C ATOM 563 C ILE A 36 9.321 7.296 -11.961 1.00 0.00 C ATOM 564 O ILE A 36 10.550 7.177 -12.020 1.00 0.00 O ATOM 565 CB ILE A 36 9.052 9.214 -10.403 1.00 0.00 C ATOM 566 CG1 ILE A 36 8.912 9.767 -8.966 1.00 0.00 C ATOM 567 CG2 ILE A 36 8.487 10.195 -11.447 1.00 0.00 C ATOM 568 CD1 ILE A 36 10.236 9.624 -8.201 1.00 0.00 C ATOM 0 H ILE A 36 9.900 6.588 -9.602 1.00 0.00 H new ATOM 0 HA ILE A 36 7.519 7.790 -10.808 1.00 0.00 H new ATOM 0 HB ILE A 36 10.135 9.131 -10.495 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.617 10.816 -9.001 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.122 9.231 -8.440 1.00 0.00 H new ATOM 0 HG21 ILE A 36 8.824 11.206 -11.216 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.839 9.913 -12.439 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.398 10.162 -11.426 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.118 10.019 -7.192 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.514 8.571 -8.149 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.017 10.180 -8.719 1.00 0.00 H new ATOM 580 N CYS A 37 8.534 7.140 -13.007 1.00 0.00 N ATOM 581 CA CYS A 37 8.961 6.820 -14.364 1.00 0.00 C ATOM 582 C CYS A 37 8.567 7.927 -15.352 1.00 0.00 C ATOM 583 O CYS A 37 7.879 8.896 -15.021 1.00 0.00 O ATOM 584 CB CYS A 37 8.394 5.447 -14.748 1.00 0.00 C ATOM 585 SG CYS A 37 9.431 4.126 -14.062 1.00 0.00 S ATOM 0 H CYS A 37 7.521 7.238 -12.934 1.00 0.00 H new ATOM 0 HA CYS A 37 10.049 6.766 -14.408 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.374 5.349 -14.375 1.00 0.00 H new ATOM 0 HB3 CYS A 37 8.347 5.356 -15.833 1.00 0.00 H new ATOM 0 HG CYS A 37 9.264 4.068 -12.774 1.00 0.00 H new ATOM 591 N GLY A 38 9.038 7.825 -16.590 1.00 0.00 N ATOM 592 CA GLY A 38 8.728 8.764 -17.667 1.00 0.00 C ATOM 593 C GLY A 38 8.707 8.052 -19.012 1.00 0.00 C ATOM 594 O GLY A 38 9.513 7.162 -19.272 1.00 0.00 O ATOM 0 H GLY A 38 9.660 7.071 -16.881 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.761 9.231 -17.482 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.469 9.563 -17.684 1.00 0.00 H new ATOM 598 N GLU A 39 7.741 8.423 -19.838 1.00 0.00 N ATOM 599 CA GLU A 39 7.226 7.625 -20.943 1.00 0.00 C ATOM 600 C GLU A 39 6.964 8.598 -22.087 1.00 0.00 C ATOM 601 O GLU A 39 5.961 9.308 -22.134 1.00 0.00 O ATOM 602 CB GLU A 39 5.961 6.890 -20.497 1.00 0.00 C ATOM 603 CG GLU A 39 6.265 5.806 -19.443 1.00 0.00 C ATOM 604 CD GLU A 39 5.028 5.072 -18.911 1.00 0.00 C ATOM 605 OE1 GLU A 39 4.004 5.001 -19.619 1.00 0.00 O ATOM 606 OE2 GLU A 39 5.120 4.569 -17.766 1.00 0.00 O ATOM 0 H GLU A 39 7.274 9.326 -19.754 1.00 0.00 H new ATOM 0 HA GLU A 39 7.928 6.858 -21.269 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.251 7.607 -20.085 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.484 6.430 -21.363 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.947 5.075 -19.878 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.786 6.268 -18.605 1.00 0.00 H new ATOM 702 N PHE A 47 4.070 18.497 -24.484 1.00 0.00 N ATOM 703 CA PHE A 47 3.468 18.716 -23.168 1.00 0.00 C ATOM 704 C PHE A 47 4.254 17.968 -22.065 1.00 0.00 C ATOM 705 O PHE A 47 4.842 16.930 -22.351 1.00 0.00 O ATOM 706 CB PHE A 47 1.987 18.324 -23.258 1.00 0.00 C ATOM 707 CG PHE A 47 1.620 17.065 -24.028 1.00 0.00 C ATOM 708 CD1 PHE A 47 1.844 15.790 -23.475 1.00 0.00 C ATOM 709 CD2 PHE A 47 0.977 17.175 -25.279 1.00 0.00 C ATOM 710 CE1 PHE A 47 1.383 14.641 -24.141 1.00 0.00 C ATOM 711 CE2 PHE A 47 0.534 16.024 -25.955 1.00 0.00 C ATOM 712 CZ PHE A 47 0.723 14.758 -25.377 1.00 0.00 C ATOM 0 HA PHE A 47 3.522 19.766 -22.879 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.610 18.214 -22.241 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.449 19.158 -23.709 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.371 15.694 -22.537 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.824 18.149 -25.720 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.536 13.666 -23.702 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.050 16.113 -26.916 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.361 13.874 -25.882 1.00 0.00 H new ATOM 722 N PHE A 48 4.282 18.495 -20.832 1.00 0.00 N ATOM 723 CA PHE A 48 5.017 17.973 -19.659 1.00 0.00 C ATOM 724 C PHE A 48 4.009 17.719 -18.541 1.00 0.00 C ATOM 725 O PHE A 48 3.555 18.655 -17.876 1.00 0.00 O ATOM 726 CB PHE A 48 6.119 18.934 -19.170 1.00 0.00 C ATOM 727 CG PHE A 48 7.054 18.402 -18.089 1.00 0.00 C ATOM 728 CD1 PHE A 48 6.628 18.310 -16.747 1.00 0.00 C ATOM 729 CD2 PHE A 48 8.398 18.114 -18.392 1.00 0.00 C ATOM 730 CE1 PHE A 48 7.517 17.889 -15.741 1.00 0.00 C ATOM 731 CE2 PHE A 48 9.290 17.697 -17.390 1.00 0.00 C ATOM 732 CZ PHE A 48 8.849 17.576 -16.063 1.00 0.00 C ATOM 0 H PHE A 48 3.765 19.345 -20.609 1.00 0.00 H new ATOM 0 HA PHE A 48 5.520 17.051 -19.951 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.722 19.227 -20.029 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.641 19.838 -18.793 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.611 18.565 -16.490 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.748 18.215 -19.409 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.175 17.806 -14.720 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.316 17.469 -17.641 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.530 17.244 -15.293 1.00 0.00 H new ATOM 742 N GLU A 49 3.583 16.475 -18.387 1.00 0.00 N ATOM 743 CA GLU A 49 2.340 16.163 -17.707 1.00 0.00 C ATOM 744 C GLU A 49 2.601 15.162 -16.580 1.00 0.00 C ATOM 745 O GLU A 49 2.997 14.023 -16.847 1.00 0.00 O ATOM 746 CB GLU A 49 1.387 15.626 -18.775 1.00 0.00 C ATOM 747 CG GLU A 49 1.177 16.546 -19.994 1.00 0.00 C ATOM 748 CD GLU A 49 0.578 17.911 -19.646 1.00 0.00 C ATOM 749 OE1 GLU A 49 -0.594 17.929 -19.206 1.00 0.00 O ATOM 750 OE2 GLU A 49 1.184 18.978 -19.912 1.00 0.00 O ATOM 0 H GLU A 49 4.088 15.658 -18.729 1.00 0.00 H new ATOM 0 HA GLU A 49 1.894 17.036 -17.231 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.765 14.666 -19.126 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.418 15.437 -18.312 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.135 16.697 -20.492 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.523 16.044 -20.707 1.00 0.00 H new ATOM 757 N VAL A 50 2.430 15.582 -15.316 1.00 0.00 N ATOM 758 CA VAL A 50 2.840 14.746 -14.168 1.00 0.00 C ATOM 759 C VAL A 50 1.623 14.085 -13.540 1.00 0.00 C ATOM 760 O VAL A 50 0.608 14.732 -13.279 1.00 0.00 O ATOM 761 CB VAL A 50 3.734 15.506 -13.159 1.00 0.00 C ATOM 762 CG1 VAL A 50 3.253 15.524 -11.700 1.00 0.00 C ATOM 763 CG2 VAL A 50 5.150 14.936 -13.147 1.00 0.00 C ATOM 0 H VAL A 50 2.018 16.480 -15.062 1.00 0.00 H new ATOM 0 HA VAL A 50 3.482 13.947 -14.538 1.00 0.00 H new ATOM 0 HB VAL A 50 3.690 16.531 -13.526 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.961 16.085 -11.090 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.273 15.997 -11.646 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.184 14.502 -11.327 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.758 15.487 -12.430 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.117 13.885 -12.862 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.588 15.028 -14.141 1.00 0.00 H new ATOM 773 N THR A 51 1.724 12.781 -13.304 1.00 0.00 N ATOM 774 CA THR A 51 0.654 11.930 -12.794 1.00 0.00 C ATOM 775 C THR A 51 1.144 11.121 -11.596 1.00 0.00 C ATOM 776 O THR A 51 2.265 10.631 -11.616 1.00 0.00 O ATOM 777 CB THR A 51 0.196 10.913 -13.861 1.00 0.00 C ATOM 778 OG1 THR A 51 0.888 10.994 -15.088 1.00 0.00 O ATOM 779 CG2 THR A 51 -1.280 11.044 -14.201 1.00 0.00 C ATOM 0 H THR A 51 2.589 12.267 -13.470 1.00 0.00 H new ATOM 0 HA THR A 51 -0.169 12.588 -12.516 1.00 0.00 H new ATOM 0 HB THR A 51 0.415 9.958 -13.383 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.540 10.317 -15.705 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.546 10.305 -14.956 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.876 10.878 -13.304 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.477 12.044 -14.587 1.00 0.00 H new ATOM 787 N VAL A 52 0.302 10.862 -10.599 1.00 0.00 N ATOM 788 CA VAL A 52 0.541 9.908 -9.498 1.00 0.00 C ATOM 789 C VAL A 52 -0.652 8.961 -9.351 1.00 0.00 C ATOM 790 O VAL A 52 -1.782 9.414 -9.221 1.00 0.00 O ATOM 791 CB VAL A 52 0.910 10.656 -8.202 1.00 0.00 C ATOM 792 CG1 VAL A 52 -0.138 11.677 -7.737 1.00 0.00 C ATOM 793 CG2 VAL A 52 1.191 9.690 -7.045 1.00 0.00 C ATOM 0 H VAL A 52 -0.604 11.325 -10.525 1.00 0.00 H new ATOM 0 HA VAL A 52 1.401 9.280 -9.732 1.00 0.00 H new ATOM 0 HB VAL A 52 1.813 11.206 -8.467 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.203 12.156 -6.819 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.278 12.432 -8.510 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.084 11.168 -7.551 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.447 10.258 -6.151 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.304 9.088 -6.850 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.022 9.037 -7.310 1.00 0.00 H new ATOM 803 N ALA A 53 -0.437 7.648 -9.482 1.00 0.00 N ATOM 804 CA ALA A 53 -1.483 6.608 -9.562 1.00 0.00 C ATOM 805 C ALA A 53 -2.644 6.927 -10.546 1.00 0.00 C ATOM 806 O ALA A 53 -3.795 6.567 -10.304 1.00 0.00 O ATOM 807 CB ALA A 53 -1.996 6.274 -8.151 1.00 0.00 C ATOM 0 H ALA A 53 0.504 7.259 -9.538 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.009 5.726 -9.994 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.767 5.506 -8.216 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.170 5.908 -7.541 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.415 7.171 -7.694 1.00 0.00 H new ATOM 813 N GLY A 54 -2.381 7.650 -11.644 1.00 0.00 N ATOM 814 CA GLY A 54 -3.421 8.108 -12.586 1.00 0.00 C ATOM 815 C GLY A 54 -4.121 9.426 -12.206 1.00 0.00 C ATOM 816 O GLY A 54 -5.089 9.828 -12.848 1.00 0.00 O ATOM 0 H GLY A 54 -1.438 7.936 -11.908 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.969 8.227 -13.571 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.176 7.327 -12.675 1.00 0.00 H new ATOM 820 N LYS A 55 -3.622 10.143 -11.193 1.00 0.00 N ATOM 821 CA LYS A 55 -4.028 11.510 -10.829 1.00 0.00 C ATOM 822 C LYS A 55 -3.050 12.510 -11.434 1.00 0.00 C ATOM 823 O LYS A 55 -1.928 12.631 -10.945 1.00 0.00 O ATOM 824 CB LYS A 55 -4.112 11.693 -9.309 1.00 0.00 C ATOM 825 CG LYS A 55 -5.106 10.774 -8.583 1.00 0.00 C ATOM 826 CD LYS A 55 -6.558 11.099 -8.953 1.00 0.00 C ATOM 827 CE LYS A 55 -7.515 10.295 -8.067 1.00 0.00 C ATOM 828 NZ LYS A 55 -8.927 10.623 -8.377 1.00 0.00 N ATOM 0 H LYS A 55 -2.896 9.775 -10.579 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.026 11.687 -11.230 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.120 11.531 -8.886 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.383 12.728 -9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.891 9.735 -8.834 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.974 10.875 -7.506 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.744 12.166 -8.829 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.736 10.864 -10.002 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.345 9.229 -8.215 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.310 10.508 -7.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.556 10.066 -7.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.092 11.637 -8.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.125 10.397 -9.373 1.00 0.00 H new ATOM 842 N LEU A 56 -3.437 13.169 -12.526 1.00 0.00 N ATOM 843 CA LEU A 56 -2.705 14.321 -13.049 1.00 0.00 C ATOM 844 C LEU A 56 -2.679 15.422 -11.994 1.00 0.00 C ATOM 845 O LEU A 56 -3.722 15.814 -11.478 1.00 0.00 O ATOM 846 CB LEU A 56 -3.347 14.781 -14.351 1.00 0.00 C ATOM 847 CG LEU A 56 -2.653 15.970 -15.044 1.00 0.00 C ATOM 848 CD1 LEU A 56 -1.583 15.505 -16.034 1.00 0.00 C ATOM 849 CD2 LEU A 56 -3.705 16.737 -15.834 1.00 0.00 C ATOM 0 H LEU A 56 -4.263 12.920 -13.070 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.672 14.052 -13.271 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.368 13.940 -15.044 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.383 15.053 -14.150 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.180 16.583 -14.277 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.118 16.373 -16.501 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.825 14.927 -15.505 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.043 14.883 -16.802 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.238 17.585 -16.335 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.153 16.078 -16.578 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.478 17.097 -15.156 1.00 0.00 H new ATOM 861 N VAL A 57 -1.478 15.894 -11.690 1.00 0.00 N ATOM 862 CA VAL A 57 -1.259 16.996 -10.731 1.00 0.00 C ATOM 863 C VAL A 57 -0.867 18.279 -11.461 1.00 0.00 C ATOM 864 O VAL A 57 -1.053 19.379 -10.954 1.00 0.00 O ATOM 865 CB VAL A 57 -0.173 16.646 -9.686 1.00 0.00 C ATOM 866 CG1 VAL A 57 -0.306 17.522 -8.433 1.00 0.00 C ATOM 867 CG2 VAL A 57 -0.225 15.183 -9.221 1.00 0.00 C ATOM 0 H VAL A 57 -0.617 15.529 -12.097 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.202 17.150 -10.206 1.00 0.00 H new ATOM 0 HB VAL A 57 0.773 16.825 -10.197 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.470 17.253 -7.717 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.197 18.571 -8.709 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.286 17.365 -7.982 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.563 15.006 -8.489 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.195 14.980 -8.766 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.080 14.524 -10.077 1.00 0.00 H new ATOM 877 N HIS A 58 -0.282 18.123 -12.651 1.00 0.00 N ATOM 878 CA HIS A 58 0.594 19.125 -13.252 1.00 0.00 C ATOM 879 C HIS A 58 0.556 19.052 -14.770 1.00 0.00 C ATOM 880 O HIS A 58 0.376 17.971 -15.333 1.00 0.00 O ATOM 881 CB HIS A 58 2.001 18.779 -12.799 1.00 0.00 C ATOM 882 CG HIS A 58 3.068 19.803 -13.043 1.00 0.00 C ATOM 883 ND1 HIS A 58 3.029 21.134 -12.705 1.00 0.00 N ATOM 884 CD2 HIS A 58 4.315 19.531 -13.537 1.00 0.00 C ATOM 885 CE1 HIS A 58 4.245 21.640 -12.948 1.00 0.00 C ATOM 886 NE2 HIS A 58 5.077 20.690 -13.412 1.00 0.00 N ATOM 0 H HIS A 58 -0.406 17.290 -13.227 1.00 0.00 H new ATOM 0 HA HIS A 58 0.280 20.125 -12.952 1.00 0.00 H new ATOM 0 HB2 HIS A 58 1.970 18.571 -11.730 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.299 17.855 -13.295 1.00 0.00 H new ATOM 0 HD1 HIS A 58 2.224 21.642 -12.338 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.647 18.589 -13.949 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.521 22.673 -12.792 1.00 0.00 H new ATOM 894 N SER A 59 0.748 20.184 -15.443 1.00 0.00 N ATOM 895 CA SER A 59 0.486 20.258 -16.877 1.00 0.00 C ATOM 896 C SER A 59 1.105 21.479 -17.575 1.00 0.00 C ATOM 897 O SER A 59 0.495 22.557 -17.615 1.00 0.00 O ATOM 898 CB SER A 59 -1.032 20.353 -17.048 1.00 0.00 C ATOM 899 OG SER A 59 -1.439 20.130 -18.382 1.00 0.00 O ATOM 0 H SER A 59 1.080 21.053 -15.024 1.00 0.00 H new ATOM 0 HA SER A 59 0.934 19.375 -17.333 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.514 19.624 -16.397 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.370 21.339 -16.728 1.00 0.00 H new ATOM 0 HG SER A 59 -1.209 19.215 -18.646 1.00 0.00 H new ATOM 905 N LYS A 60 2.257 21.336 -18.236 1.00 0.00 N ATOM 906 CA LYS A 60 2.725 22.366 -19.181 1.00 0.00 C ATOM 907 C LYS A 60 1.650 22.795 -20.189 1.00 0.00 C ATOM 908 O LYS A 60 1.572 23.991 -20.463 1.00 0.00 O ATOM 909 CB LYS A 60 3.993 21.883 -19.896 1.00 0.00 C ATOM 910 CG LYS A 60 5.293 22.437 -19.284 1.00 0.00 C ATOM 911 CD LYS A 60 5.771 23.764 -19.880 1.00 0.00 C ATOM 912 CE LYS A 60 6.238 23.520 -21.322 1.00 0.00 C ATOM 913 NZ LYS A 60 7.234 24.521 -21.772 1.00 0.00 N ATOM 0 H LYS A 60 2.878 20.532 -18.140 1.00 0.00 H new ATOM 0 HA LYS A 60 2.957 23.256 -18.597 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.023 20.794 -19.868 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.942 22.174 -20.945 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.146 22.569 -18.212 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.081 21.695 -19.408 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.965 24.497 -19.864 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.586 24.174 -19.284 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.671 22.522 -21.397 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.376 23.544 -21.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.115 24.696 -22.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.094 25.409 -21.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.193 24.161 -21.592 1.00 0.00 H new ATOM 927 N LYS A 61 0.795 21.891 -20.702 1.00 0.00 N ATOM 928 CA LYS A 61 -0.251 22.271 -21.685 1.00 0.00 C ATOM 929 C LYS A 61 -1.495 22.957 -21.117 1.00 0.00 C ATOM 930 O LYS A 61 -2.137 23.687 -21.863 1.00 0.00 O ATOM 931 CB LYS A 61 -0.608 21.118 -22.637 1.00 0.00 C ATOM 932 CG LYS A 61 -1.312 19.902 -22.015 1.00 0.00 C ATOM 933 CD LYS A 61 -2.844 20.017 -21.946 1.00 0.00 C ATOM 934 CE LYS A 61 -3.497 18.713 -21.469 1.00 0.00 C ATOM 935 NZ LYS A 61 -3.077 18.339 -20.097 1.00 0.00 N ATOM 0 H LYS A 61 0.802 20.900 -20.459 1.00 0.00 H new ATOM 0 HA LYS A 61 0.229 23.057 -22.268 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.247 21.514 -23.426 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.310 20.773 -23.113 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.053 19.014 -22.592 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.926 19.751 -21.007 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.117 20.827 -21.270 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.233 20.278 -22.930 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.581 18.821 -21.497 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.239 17.908 -22.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.767 17.675 -19.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.141 17.887 -20.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.028 19.192 -19.504 1.00 0.00 H new ATOM 949 N ARG A 62 -1.848 22.783 -19.833 1.00 0.00 N ATOM 950 CA ARG A 62 -2.887 23.609 -19.183 1.00 0.00 C ATOM 951 C ARG A 62 -2.393 25.009 -18.801 1.00 0.00 C ATOM 952 O ARG A 62 -3.188 25.872 -18.435 1.00 0.00 O ATOM 953 CB ARG A 62 -3.506 22.846 -18.000 1.00 0.00 C ATOM 954 CG ARG A 62 -2.919 23.104 -16.602 1.00 0.00 C ATOM 955 CD ARG A 62 -3.587 24.228 -15.826 1.00 0.00 C ATOM 956 NE ARG A 62 -2.581 25.006 -15.088 1.00 0.00 N ATOM 957 CZ ARG A 62 -2.367 26.302 -15.055 1.00 0.00 C ATOM 958 NH1 ARG A 62 -2.880 27.138 -15.916 1.00 0.00 N ATOM 959 NH2 ARG A 62 -1.583 26.753 -14.130 1.00 0.00 N ATOM 0 H ARG A 62 -1.432 22.080 -19.223 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.675 23.788 -19.915 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.569 23.083 -17.967 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.423 21.779 -18.208 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.991 22.186 -16.018 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.859 23.334 -16.706 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.130 24.879 -16.511 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.319 23.815 -15.132 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.949 24.452 -14.510 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.482 26.794 -16.664 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.679 28.135 -15.841 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.158 26.109 -13.463 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.390 27.753 -14.068 1.00 0.00 H new ATOM 973 N GLY A 63 -1.080 25.217 -18.857 1.00 0.00 N ATOM 974 CA GLY A 63 -0.411 26.470 -18.506 1.00 0.00 C ATOM 975 C GLY A 63 0.281 26.453 -17.149 1.00 0.00 C ATOM 976 O GLY A 63 0.524 27.516 -16.581 1.00 0.00 O ATOM 0 H GLY A 63 -0.428 24.493 -19.159 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.327 26.702 -19.274 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.145 27.275 -18.516 1.00 0.00 H new ATOM 980 N ASP A 64 0.567 25.268 -16.607 1.00 0.00 N ATOM 981 CA ASP A 64 1.165 25.132 -15.285 1.00 0.00 C ATOM 982 C ASP A 64 2.666 25.444 -15.251 1.00 0.00 C ATOM 983 O ASP A 64 3.195 25.768 -14.189 1.00 0.00 O ATOM 984 CB ASP A 64 0.849 23.720 -14.771 1.00 0.00 C ATOM 985 CG ASP A 64 0.426 23.745 -13.313 1.00 0.00 C ATOM 986 OD1 ASP A 64 -0.583 24.451 -13.069 1.00 0.00 O ATOM 987 OD2 ASP A 64 1.065 23.040 -12.505 1.00 0.00 O ATOM 0 H ASP A 64 0.390 24.379 -17.074 1.00 0.00 H new ATOM 0 HA ASP A 64 0.729 25.881 -14.624 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.055 23.280 -15.375 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.727 23.084 -14.886 1.00 0.00 H new ATOM 992 N GLY A 65 3.365 25.399 -16.394 1.00 0.00 N ATOM 993 CA GLY A 65 4.819 25.306 -16.421 1.00 0.00 C ATOM 994 C GLY A 65 5.273 23.959 -15.865 1.00 0.00 C ATOM 995 O GLY A 65 4.463 23.086 -15.571 1.00 0.00 O ATOM 0 H GLY A 65 2.934 25.426 -17.318 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.179 25.426 -17.443 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.253 26.115 -15.833 1.00 0.00 H new ATOM 999 N TYR A 66 6.579 23.794 -15.749 1.00 0.00 N ATOM 1000 CA TYR A 66 7.194 22.764 -14.920 1.00 0.00 C ATOM 1001 C TYR A 66 7.195 23.217 -13.442 1.00 0.00 C ATOM 1002 O TYR A 66 6.804 24.350 -13.143 1.00 0.00 O ATOM 1003 CB TYR A 66 8.621 22.511 -15.416 1.00 0.00 C ATOM 1004 CG TYR A 66 8.862 22.626 -16.918 1.00 0.00 C ATOM 1005 CD1 TYR A 66 8.649 21.511 -17.750 1.00 0.00 C ATOM 1006 CD2 TYR A 66 9.319 23.835 -17.479 1.00 0.00 C ATOM 1007 CE1 TYR A 66 8.903 21.592 -19.134 1.00 0.00 C ATOM 1008 CE2 TYR A 66 9.560 23.932 -18.864 1.00 0.00 C ATOM 1009 CZ TYR A 66 9.364 22.805 -19.688 1.00 0.00 C ATOM 1010 OH TYR A 66 9.593 22.902 -21.025 1.00 0.00 O ATOM 0 H TYR A 66 7.257 24.381 -16.236 1.00 0.00 H new ATOM 0 HA TYR A 66 6.626 21.836 -14.991 1.00 0.00 H new ATOM 0 HB2 TYR A 66 9.285 23.213 -14.912 1.00 0.00 H new ATOM 0 HB3 TYR A 66 8.917 21.510 -15.101 1.00 0.00 H new ATOM 0 HD1 TYR A 66 8.288 20.586 -17.325 1.00 0.00 H new ATOM 0 HD2 TYR A 66 9.486 24.692 -16.844 1.00 0.00 H new ATOM 0 HE1 TYR A 66 8.746 20.731 -19.767 1.00 0.00 H new ATOM 0 HE2 TYR A 66 9.893 24.866 -19.292 1.00 0.00 H new ATOM 0 HH TYR A 66 8.988 22.299 -21.505 1.00 0.00 H new ATOM 1020 N VAL A 67 7.673 22.407 -12.489 1.00 0.00 N ATOM 1021 CA VAL A 67 8.019 22.946 -11.155 1.00 0.00 C ATOM 1022 C VAL A 67 9.337 23.703 -11.214 1.00 0.00 C ATOM 1023 O VAL A 67 10.426 23.151 -11.370 1.00 0.00 O ATOM 1024 CB VAL A 67 7.969 21.984 -9.967 1.00 0.00 C ATOM 1025 CG1 VAL A 67 6.520 21.549 -9.709 1.00 0.00 C ATOM 1026 CG2 VAL A 67 8.832 20.729 -10.112 1.00 0.00 C ATOM 0 H VAL A 67 7.828 21.405 -12.603 1.00 0.00 H new ATOM 0 HA VAL A 67 7.197 23.625 -10.931 1.00 0.00 H new ATOM 0 HB VAL A 67 8.382 22.548 -9.131 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.491 20.864 -8.862 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.911 22.425 -9.488 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.127 21.048 -10.594 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.729 20.111 -9.220 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.507 20.163 -10.985 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.876 21.017 -10.235 1.00 0.00 H new ATOM 1036 N ASP A 68 9.176 25.016 -11.152 1.00 0.00 N ATOM 1037 CA ASP A 68 10.191 26.005 -11.461 1.00 0.00 C ATOM 1038 C ASP A 68 10.421 26.997 -10.319 1.00 0.00 C ATOM 1039 O ASP A 68 11.323 27.827 -10.375 1.00 0.00 O ATOM 1040 CB ASP A 68 9.715 26.714 -12.714 1.00 0.00 C ATOM 1041 CG ASP A 68 9.818 25.842 -13.975 1.00 0.00 C ATOM 1042 OD1 ASP A 68 10.761 25.012 -14.061 1.00 0.00 O ATOM 1043 OD2 ASP A 68 8.911 25.964 -14.830 1.00 0.00 O ATOM 0 H ASP A 68 8.291 25.438 -10.871 1.00 0.00 H new ATOM 0 HA ASP A 68 11.156 25.520 -11.610 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.679 27.024 -12.578 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.303 27.621 -12.857 1.00 0.00 H new ATOM 1048 N THR A 69 9.616 26.917 -9.258 1.00 0.00 N ATOM 1049 CA THR A 69 9.809 27.748 -8.063 1.00 0.00 C ATOM 1050 C THR A 69 9.492 26.927 -6.836 1.00 0.00 C ATOM 1051 O THR A 69 8.679 26.011 -6.910 1.00 0.00 O ATOM 1052 CB THR A 69 8.915 29.001 -8.063 1.00 0.00 C ATOM 1053 OG1 THR A 69 8.331 29.287 -9.319 1.00 0.00 O ATOM 1054 CG2 THR A 69 9.686 30.246 -7.632 1.00 0.00 C ATOM 0 H THR A 69 8.820 26.282 -9.200 1.00 0.00 H new ATOM 0 HA THR A 69 10.847 28.081 -8.062 1.00 0.00 H new ATOM 0 HB THR A 69 8.125 28.762 -7.352 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.777 30.092 -9.246 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.020 31.109 -7.645 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.074 30.103 -6.624 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.515 30.417 -8.319 1.00 0.00 H new ATOM 1062 N GLU A 70 10.037 27.314 -5.687 1.00 0.00 N ATOM 1063 CA GLU A 70 9.800 26.657 -4.386 1.00 0.00 C ATOM 1064 C GLU A 70 8.303 26.528 -4.124 1.00 0.00 C ATOM 1065 O GLU A 70 7.754 25.448 -3.929 1.00 0.00 O ATOM 1066 CB GLU A 70 10.474 27.481 -3.268 1.00 0.00 C ATOM 1067 CG GLU A 70 11.333 26.636 -2.319 1.00 0.00 C ATOM 1068 CD GLU A 70 10.470 25.887 -1.297 1.00 0.00 C ATOM 1069 OE1 GLU A 70 9.929 24.811 -1.629 1.00 0.00 O ATOM 1070 OE2 GLU A 70 10.303 26.390 -0.163 1.00 0.00 O ATOM 0 H GLU A 70 10.671 28.110 -5.623 1.00 0.00 H new ATOM 0 HA GLU A 70 10.230 25.656 -4.403 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.098 28.252 -3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.704 27.993 -2.690 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.919 25.920 -2.896 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.041 27.280 -1.797 1.00 0.00 H new ATOM 1077 N SER A 71 7.605 27.651 -4.275 1.00 0.00 N ATOM 1078 CA SER A 71 6.158 27.698 -4.033 1.00 0.00 C ATOM 1079 C SER A 71 5.322 26.856 -4.991 1.00 0.00 C ATOM 1080 O SER A 71 4.181 26.533 -4.665 1.00 0.00 O ATOM 1081 CB SER A 71 5.661 29.135 -4.092 1.00 0.00 C ATOM 1082 OG SER A 71 4.531 29.289 -3.247 1.00 0.00 O ATOM 0 H SER A 71 8.013 28.540 -4.563 1.00 0.00 H new ATOM 0 HA SER A 71 6.026 27.268 -3.040 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.453 29.816 -3.782 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.398 29.397 -5.117 1.00 0.00 H new ATOM 0 HG SER A 71 3.950 28.505 -3.332 1.00 0.00 H new ATOM 1088 N LYS A 72 5.870 26.485 -6.152 1.00 0.00 N ATOM 1089 CA LYS A 72 5.312 25.449 -7.033 1.00 0.00 C ATOM 1090 C LYS A 72 5.745 24.040 -6.634 1.00 0.00 C ATOM 1091 O LYS A 72 4.908 23.160 -6.500 1.00 0.00 O ATOM 1092 CB LYS A 72 5.593 25.756 -8.518 1.00 0.00 C ATOM 1093 CG LYS A 72 4.375 25.342 -9.367 1.00 0.00 C ATOM 1094 CD LYS A 72 4.609 25.372 -10.883 1.00 0.00 C ATOM 1095 CE LYS A 72 5.130 26.721 -11.402 1.00 0.00 C ATOM 1096 NZ LYS A 72 5.385 26.662 -12.860 1.00 0.00 N ATOM 0 H LYS A 72 6.728 26.902 -6.514 1.00 0.00 H new ATOM 0 HA LYS A 72 4.230 25.473 -6.902 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.797 26.819 -8.649 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.481 25.218 -8.850 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.075 24.334 -9.080 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.542 26.003 -9.129 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.323 24.591 -11.147 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.674 25.134 -11.391 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.402 27.504 -11.187 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.048 26.987 -10.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.800 27.562 -13.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.045 25.885 -13.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.489 26.498 -13.363 1.00 0.00 H new ATOM 1110 N PHE A 73 7.032 23.827 -6.392 1.00 0.00 N ATOM 1111 CA PHE A 73 7.618 22.551 -5.973 1.00 0.00 C ATOM 1112 C PHE A 73 6.930 21.991 -4.718 1.00 0.00 C ATOM 1113 O PHE A 73 6.517 20.832 -4.687 1.00 0.00 O ATOM 1114 CB PHE A 73 9.125 22.773 -5.776 1.00 0.00 C ATOM 1115 CG PHE A 73 9.887 21.587 -5.223 1.00 0.00 C ATOM 1116 CD1 PHE A 73 9.971 20.390 -5.961 1.00 0.00 C ATOM 1117 CD2 PHE A 73 10.517 21.683 -3.967 1.00 0.00 C ATOM 1118 CE1 PHE A 73 10.669 19.287 -5.435 1.00 0.00 C ATOM 1119 CE2 PHE A 73 11.224 20.585 -3.450 1.00 0.00 C ATOM 1120 CZ PHE A 73 11.291 19.384 -4.178 1.00 0.00 C ATOM 0 H PHE A 73 7.729 24.566 -6.485 1.00 0.00 H new ATOM 0 HA PHE A 73 7.462 21.793 -6.740 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.563 23.050 -6.735 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.266 23.620 -5.104 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.500 20.319 -6.930 1.00 0.00 H new ATOM 0 HD2 PHE A 73 10.456 22.601 -3.401 1.00 0.00 H new ATOM 0 HE1 PHE A 73 10.727 18.366 -5.997 1.00 0.00 H new ATOM 0 HE2 PHE A 73 11.717 20.663 -2.492 1.00 0.00 H new ATOM 0 HZ PHE A 73 11.821 18.535 -3.771 1.00 0.00 H new ATOM 1130 N ARG A 74 6.695 22.835 -3.708 1.00 0.00 N ATOM 1131 CA ARG A 74 6.062 22.466 -2.435 1.00 0.00 C ATOM 1132 C ARG A 74 4.626 21.966 -2.558 1.00 0.00 C ATOM 1133 O ARG A 74 4.180 21.190 -1.724 1.00 0.00 O ATOM 1134 CB ARG A 74 6.160 23.626 -1.424 1.00 0.00 C ATOM 1135 CG ARG A 74 6.411 23.061 -0.016 1.00 0.00 C ATOM 1136 CD ARG A 74 7.865 22.588 0.166 1.00 0.00 C ATOM 1137 NE ARG A 74 8.726 23.690 0.626 1.00 0.00 N ATOM 1138 CZ ARG A 74 8.901 24.101 1.866 1.00 0.00 C ATOM 1139 NH1 ARG A 74 8.334 23.479 2.866 1.00 0.00 N ATOM 1140 NH2 ARG A 74 9.616 25.146 2.137 1.00 0.00 N ATOM 0 H ARG A 74 6.947 23.822 -3.754 1.00 0.00 H new ATOM 0 HA ARG A 74 6.628 21.610 -2.066 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.968 24.301 -1.706 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.240 24.210 -1.434 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.183 23.825 0.727 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.733 22.227 0.166 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.898 21.771 0.887 1.00 0.00 H new ATOM 0 HD3 ARG A 74 8.244 22.195 -0.778 1.00 0.00 H new ATOM 0 HE ARG A 74 9.245 24.191 -0.095 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.747 22.663 2.692 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.479 23.809 3.820 1.00 0.00 H new ATOM 0 HH21 ARG A 74 10.059 25.671 1.383 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.737 25.444 3.105 1.00 0.00 H new ATOM 1154 N LYS A 75 3.910 22.355 -3.614 1.00 0.00 N ATOM 1155 CA LYS A 75 2.601 21.818 -3.989 1.00 0.00 C ATOM 1156 C LYS A 75 2.700 20.317 -4.273 1.00 0.00 C ATOM 1157 O LYS A 75 1.894 19.541 -3.768 1.00 0.00 O ATOM 1158 CB LYS A 75 2.060 22.594 -5.212 1.00 0.00 C ATOM 1159 CG LYS A 75 2.004 24.118 -5.033 1.00 0.00 C ATOM 1160 CD LYS A 75 1.166 24.541 -3.816 1.00 0.00 C ATOM 1161 CE LYS A 75 0.696 26.004 -3.896 1.00 0.00 C ATOM 1162 NZ LYS A 75 1.740 26.971 -3.468 1.00 0.00 N ATOM 0 H LYS A 75 4.237 23.078 -4.254 1.00 0.00 H new ATOM 0 HA LYS A 75 1.902 21.946 -3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.686 22.366 -6.075 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.058 22.232 -5.440 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.017 24.504 -4.923 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.586 24.570 -5.932 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.297 23.889 -3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.755 24.402 -2.909 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.397 26.229 -4.920 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.188 26.131 -3.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.508 27.917 -3.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.780 27.001 -2.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.664 26.673 -3.841 1.00 0.00 H new ATOM 1176 N LEU A 76 3.739 19.914 -5.008 1.00 0.00 N ATOM 1177 CA LEU A 76 3.979 18.509 -5.335 1.00 0.00 C ATOM 1178 C LEU A 76 4.565 17.746 -4.159 1.00 0.00 C ATOM 1179 O LEU A 76 4.063 16.692 -3.784 1.00 0.00 O ATOM 1180 CB LEU A 76 4.904 18.421 -6.563 1.00 0.00 C ATOM 1181 CG LEU A 76 4.977 17.009 -7.168 1.00 0.00 C ATOM 1182 CD1 LEU A 76 3.710 16.649 -7.949 1.00 0.00 C ATOM 1183 CD2 LEU A 76 6.171 16.904 -8.114 1.00 0.00 C ATOM 0 H LEU A 76 4.436 20.552 -5.392 1.00 0.00 H new ATOM 0 HA LEU A 76 3.022 18.042 -5.568 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.553 19.118 -7.324 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.907 18.739 -6.278 1.00 0.00 H new ATOM 0 HG LEU A 76 5.082 16.314 -6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.808 15.643 -8.358 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.848 16.688 -7.282 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.571 17.360 -8.764 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.213 15.900 -8.537 1.00 0.00 H new ATOM 0 HD22 LEU A 76 6.063 17.632 -8.918 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.090 17.105 -7.564 1.00 0.00 H new ATOM 1195 N VAL A 77 5.586 18.318 -3.536 1.00 0.00 N ATOM 1196 CA VAL A 77 6.188 17.744 -2.327 1.00 0.00 C ATOM 1197 C VAL A 77 5.138 17.474 -1.261 1.00 0.00 C ATOM 1198 O VAL A 77 5.075 16.366 -0.739 1.00 0.00 O ATOM 1199 CB VAL A 77 7.358 18.614 -1.826 1.00 0.00 C ATOM 1200 CG1 VAL A 77 7.620 18.564 -0.315 1.00 0.00 C ATOM 1201 CG2 VAL A 77 8.623 18.245 -2.597 1.00 0.00 C ATOM 0 H VAL A 77 6.022 19.186 -3.846 1.00 0.00 H new ATOM 0 HA VAL A 77 6.615 16.773 -2.579 1.00 0.00 H new ATOM 0 HB VAL A 77 7.062 19.646 -2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.463 19.211 -0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.733 18.905 0.219 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.850 17.540 -0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.454 18.857 -2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.854 17.192 -2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.465 18.422 -3.661 1.00 0.00 H new ATOM 1211 N THR A 78 4.243 18.419 -0.986 1.00 0.00 N ATOM 1212 CA THR A 78 3.186 18.210 0.006 1.00 0.00 C ATOM 1213 C THR A 78 2.167 17.179 -0.448 1.00 0.00 C ATOM 1214 O THR A 78 1.725 16.366 0.364 1.00 0.00 O ATOM 1215 CB THR A 78 2.515 19.535 0.401 1.00 0.00 C ATOM 1216 OG1 THR A 78 3.451 20.331 1.094 1.00 0.00 O ATOM 1217 CG2 THR A 78 1.332 19.384 1.357 1.00 0.00 C ATOM 0 H THR A 78 4.226 19.335 -1.433 1.00 0.00 H new ATOM 0 HA THR A 78 3.664 17.806 0.898 1.00 0.00 H new ATOM 0 HB THR A 78 2.160 19.967 -0.535 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.978 20.850 0.451 1.00 0.00 H new ATOM 0 HG21 THR A 78 0.919 20.367 1.583 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.564 18.766 0.891 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.668 18.911 2.280 1.00 0.00 H new ATOM 1225 N ALA A 79 1.835 17.158 -1.738 1.00 0.00 N ATOM 1226 CA ALA A 79 0.792 16.258 -2.224 1.00 0.00 C ATOM 1227 C ALA A 79 1.256 14.809 -2.335 1.00 0.00 C ATOM 1228 O ALA A 79 0.487 13.878 -2.094 1.00 0.00 O ATOM 1229 CB ALA A 79 0.239 16.776 -3.557 1.00 0.00 C ATOM 0 H ALA A 79 2.265 17.743 -2.454 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.007 16.253 -1.483 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.539 16.101 -3.915 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.182 17.771 -3.414 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.044 16.824 -4.291 1.00 0.00 H new ATOM 1235 N ILE A 80 2.540 14.617 -2.610 1.00 0.00 N ATOM 1236 CA ILE A 80 3.125 13.285 -2.717 1.00 0.00 C ATOM 1237 C ILE A 80 3.415 12.767 -1.303 1.00 0.00 C ATOM 1238 O ILE A 80 3.212 11.587 -1.036 1.00 0.00 O ATOM 1239 CB ILE A 80 4.336 13.319 -3.673 1.00 0.00 C ATOM 1240 CG1 ILE A 80 3.942 13.778 -5.104 1.00 0.00 C ATOM 1241 CG2 ILE A 80 5.037 11.954 -3.752 1.00 0.00 C ATOM 1242 CD1 ILE A 80 3.112 12.799 -5.944 1.00 0.00 C ATOM 0 H ILE A 80 3.203 15.376 -2.765 1.00 0.00 H new ATOM 0 HA ILE A 80 2.438 12.569 -3.168 1.00 0.00 H new ATOM 0 HB ILE A 80 5.028 14.050 -3.254 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.383 14.710 -5.019 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.857 14.003 -5.652 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.884 12.019 -4.435 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.391 11.669 -2.761 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.334 11.205 -4.116 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.905 13.241 -6.919 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.668 11.871 -6.077 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.172 12.589 -5.434 1.00 0.00 H new ATOM 1254 N LYS A 81 3.709 13.654 -0.340 1.00 0.00 N ATOM 1255 CA LYS A 81 3.902 13.299 1.080 1.00 0.00 C ATOM 1256 C LYS A 81 2.609 12.786 1.702 1.00 0.00 C ATOM 1257 O LYS A 81 2.600 11.774 2.399 1.00 0.00 O ATOM 1258 CB LYS A 81 4.400 14.556 1.805 1.00 0.00 C ATOM 1259 CG LYS A 81 5.111 14.363 3.152 1.00 0.00 C ATOM 1260 CD LYS A 81 5.939 15.605 3.548 1.00 0.00 C ATOM 1261 CE LYS A 81 6.869 16.195 2.464 1.00 0.00 C ATOM 1262 NZ LYS A 81 7.948 15.282 2.016 1.00 0.00 N ATOM 0 H LYS A 81 3.821 14.651 -0.525 1.00 0.00 H new ATOM 0 HA LYS A 81 4.631 12.494 1.170 1.00 0.00 H new ATOM 0 HB2 LYS A 81 5.082 15.081 1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.545 15.212 1.967 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.372 14.157 3.926 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.765 13.493 3.096 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.249 16.386 3.866 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.548 15.346 4.414 1.00 0.00 H new ATOM 0 HE2 LYS A 81 6.267 16.476 1.600 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.321 17.109 2.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.864 15.770 2.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 7.963 14.438 2.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 7.775 14.997 1.031 1.00 0.00 H new ATOM 1276 N ALA A 82 1.521 13.489 1.401 1.00 0.00 N ATOM 1277 CA ALA A 82 0.162 13.139 1.797 1.00 0.00 C ATOM 1278 C ALA A 82 -0.271 11.811 1.161 1.00 0.00 C ATOM 1279 O ALA A 82 -0.688 10.892 1.866 1.00 0.00 O ATOM 1280 CB ALA A 82 -0.775 14.295 1.427 1.00 0.00 C ATOM 0 H ALA A 82 1.564 14.349 0.855 1.00 0.00 H new ATOM 0 HA ALA A 82 0.117 12.989 2.876 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.795 14.044 1.719 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.460 15.199 1.948 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.737 14.464 0.351 1.00 0.00 H new ATOM 1286 N ALA A 83 -0.087 11.669 -0.158 1.00 0.00 N ATOM 1287 CA ALA A 83 -0.349 10.421 -0.870 1.00 0.00 C ATOM 1288 C ALA A 83 0.418 9.237 -0.275 1.00 0.00 C ATOM 1289 O ALA A 83 -0.146 8.161 -0.095 1.00 0.00 O ATOM 1290 CB ALA A 83 -0.047 10.602 -2.363 1.00 0.00 C ATOM 0 H ALA A 83 0.249 12.421 -0.759 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.406 10.181 -0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.244 9.668 -2.890 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.682 11.389 -2.770 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.000 10.877 -2.492 1.00 0.00 H new ATOM 1296 N LEU A 84 1.679 9.467 0.088 1.00 0.00 N ATOM 1297 CA LEU A 84 2.574 8.459 0.655 1.00 0.00 C ATOM 1298 C LEU A 84 2.105 8.010 2.034 1.00 0.00 C ATOM 1299 O LEU A 84 1.895 6.824 2.264 1.00 0.00 O ATOM 1300 CB LEU A 84 4.008 9.019 0.685 1.00 0.00 C ATOM 1301 CG LEU A 84 5.154 8.010 0.716 1.00 0.00 C ATOM 1302 CD1 LEU A 84 5.334 7.332 2.070 1.00 0.00 C ATOM 1303 CD2 LEU A 84 4.967 6.995 -0.416 1.00 0.00 C ATOM 0 H LEU A 84 2.118 10.383 -0.006 1.00 0.00 H new ATOM 0 HA LEU A 84 2.560 7.569 0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.141 9.653 -0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.101 9.662 1.560 1.00 0.00 H new ATOM 0 HG LEU A 84 6.082 8.559 0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.165 6.629 2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.544 8.085 2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.422 6.796 2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.784 6.273 -0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.019 6.474 -0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.965 7.515 -1.374 1.00 0.00 H new ATOM 1315 N ALA A 85 1.884 8.959 2.937 1.00 0.00 N ATOM 1316 CA ALA A 85 1.385 8.678 4.286 1.00 0.00 C ATOM 1317 C ALA A 85 -0.038 8.085 4.343 1.00 0.00 C ATOM 1318 O ALA A 85 -0.403 7.463 5.338 1.00 0.00 O ATOM 1319 CB ALA A 85 1.504 9.951 5.132 1.00 0.00 C ATOM 0 H ALA A 85 2.045 9.950 2.757 1.00 0.00 H new ATOM 0 HA ALA A 85 2.011 7.886 4.698 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.135 9.755 6.139 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.549 10.259 5.181 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.913 10.746 4.678 1.00 0.00 H new ATOM 1325 N GLN A 86 -0.814 8.208 3.265 1.00 0.00 N ATOM 1326 CA GLN A 86 -2.133 7.582 3.099 1.00 0.00 C ATOM 1327 C GLN A 86 -1.996 6.160 2.535 1.00 0.00 C ATOM 1328 O GLN A 86 -2.553 5.202 3.065 1.00 0.00 O ATOM 1329 CB GLN A 86 -3.022 8.511 2.249 1.00 0.00 C ATOM 1330 CG GLN A 86 -4.493 8.070 2.193 1.00 0.00 C ATOM 1331 CD GLN A 86 -5.415 9.186 1.692 1.00 0.00 C ATOM 1332 OE1 GLN A 86 -6.151 9.807 2.436 1.00 0.00 O ATOM 1333 NE2 GLN A 86 -5.434 9.508 0.416 1.00 0.00 N ATOM 0 H GLN A 86 -0.536 8.763 2.456 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.624 7.459 4.064 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -2.969 9.522 2.654 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.625 8.553 1.235 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.586 7.204 1.538 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.814 7.755 3.186 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.833 9.014 -0.244 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -6.049 10.252 0.087 1.00 0.00 H new ATOM 1342 N CYS A 87 -1.166 6.024 1.505 1.00 0.00 N ATOM 1343 CA CYS A 87 -0.731 4.779 0.868 1.00 0.00 C ATOM 1344 C CYS A 87 -0.055 3.806 1.834 1.00 0.00 C ATOM 1345 O CYS A 87 -0.255 2.597 1.738 1.00 0.00 O ATOM 1346 CB CYS A 87 0.249 5.188 -0.236 1.00 0.00 C ATOM 1347 SG CYS A 87 0.961 3.780 -1.117 1.00 0.00 S ATOM 0 H CYS A 87 -0.747 6.840 1.059 1.00 0.00 H new ATOM 0 HA CYS A 87 -1.601 4.246 0.484 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -0.266 5.831 -0.949 1.00 0.00 H new ATOM 0 HB3 CYS A 87 1.054 5.778 0.202 1.00 0.00 H new ATOM 0 HG CYS A 87 1.776 4.209 -2.034 1.00 0.00 H new ATOM 1353 N GLN A 88 0.747 4.326 2.764 1.00 0.00 N ATOM 1354 CA GLN A 88 1.549 3.506 3.682 1.00 0.00 C ATOM 1355 C GLN A 88 0.752 2.597 4.625 1.00 0.00 C ATOM 1356 O GLN A 88 1.329 1.645 5.159 1.00 0.00 O ATOM 1357 CB GLN A 88 2.509 4.401 4.491 1.00 0.00 C ATOM 1358 CG GLN A 88 3.915 4.436 3.873 1.00 0.00 C ATOM 1359 CD GLN A 88 4.787 3.222 4.196 1.00 0.00 C ATOM 1360 OE1 GLN A 88 5.999 3.297 4.211 1.00 0.00 O ATOM 1361 NE2 GLN A 88 4.250 2.055 4.485 1.00 0.00 N ATOM 0 H GLN A 88 0.861 5.330 2.905 1.00 0.00 H new ATOM 0 HA GLN A 88 2.103 2.823 3.038 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.108 5.413 4.539 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.571 4.034 5.515 1.00 0.00 H new ATOM 0 HG2 GLN A 88 3.819 4.519 2.790 1.00 0.00 H new ATOM 0 HG3 GLN A 88 4.426 5.335 4.218 1.00 0.00 H new ATOM 0 HE21 GLN A 88 3.236 1.946 4.484 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.848 1.260 4.709 1.00 0.00 H new