USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 653 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 21 SER OG : rot 74:sc= 0.887 USER MOD Set 1.2: A 23 HIS : no HE2:sc= -8.51! C(o=-7.6!,f=-7.7!) USER MOD Set 2.1: A 5 CYS SG : rot 105:sc= 2.86 USER MOD Set 2.2: A 10 CYS SG : rot 173:sc= -1.7! USER MOD Set 2.3: A 12 ASN : amide:sc= -2.63! C(o=-8.3!,f=-14!) USER MOD Set 2.4: A 18 LYS NZ :NH3+ -137:sc= 0.677 (180deg=-0.432) USER MOD Set 2.5: A 54 CYS SG : rot -88:sc= -3.91! USER MOD Set 2.6: A 57 HIS : no HD1:sc= -3.59! C(o=-8.3!,f=-24!) USER MOD Single : A 3 GLN : amide:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 4 SER OG : rot 64:sc= 0.916 USER MOD Single : A 6 SER OG : rot -160:sc= 0.0138 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -150:sc= 1.78 (180deg=1.03) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 83:sc= 0.137 USER MOD Single : A 33 CYS SG : rot -12:sc= -3.9! USER MOD Single : A 34 LYS NZ :NH3+ 157:sc= -0.414 (180deg=-1.37!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.312 X(o=-0.31,f=-0.0056) USER MOD Single : A 46 LYS NZ :NH3+ -157:sc= -0.0904 (180deg=-0.485) USER MOD Single : A 48 THR OG1 : rot -170:sc= -0.0282 USER MOD Single : A 49 LYS NZ :NH3+ -134:sc= -0.0782 (180deg=-1.39) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -65:sc= -4.62! USER MOD Single : A 52 SER OG : rot 180:sc= 0.0145 USER MOD Single : A 55 SER OG : rot 113:sc= -1.48 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0715 USER MOD Single : A 62 SER OG : rot -120:sc= -2.83! USER MOD Single : A 64 LYS NZ :NH3+ -172:sc= 0.775 (180deg=0.401) USER MOD Single : A 67 SER OG : rot -123:sc= -4.11! USER MOD Single : A 68 ASN : amide:sc= -0.22 K(o=-0.22,f=-1.2) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.752) USER MOD Single : A 75 ASN : amide:sc= -1.24 K(o=-1.2,f=-0.18) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 -7.851 -4.173 -5.613 1.00 10.00 N ATOM 37 CA GLN A 3 -9.258 -3.974 -5.921 1.00 10.00 C ATOM 38 C GLN A 3 -9.488 -2.480 -6.103 1.00 10.00 C ATOM 39 O GLN A 3 -10.065 -2.036 -7.100 1.00 10.00 O ATOM 40 CB GLN A 3 -10.136 -4.543 -4.792 1.00 10.00 C ATOM 41 CG GLN A 3 -9.941 -6.037 -4.579 1.00 10.00 C ATOM 42 CD GLN A 3 -10.319 -6.518 -3.185 1.00 10.00 C ATOM 43 OE1 GLN A 3 -9.662 -7.395 -2.622 1.00 10.00 O ATOM 44 NE2 GLN A 3 -11.383 -5.968 -2.619 1.00 10.00 N ATOM 0 HA GLN A 3 -9.531 -4.500 -6.836 1.00 10.00 H new ATOM 0 HB2 GLN A 3 -9.910 -4.017 -3.864 1.00 10.00 H new ATOM 0 HB3 GLN A 3 -11.184 -4.349 -5.022 1.00 10.00 H new ATOM 0 HG2 GLN A 3 -10.537 -6.579 -5.313 1.00 10.00 H new ATOM 0 HG3 GLN A 3 -8.897 -6.287 -4.768 1.00 10.00 H new ATOM 0 HE21 GLN A 3 -11.906 -5.244 -3.112 1.00 10.00 H new ATOM 0 HE22 GLN A 3 -11.679 -6.269 -1.690 1.00 10.00 H new ATOM 53 N SER A 4 -9.009 -1.726 -5.118 1.00 10.00 N ATOM 54 CA SER A 4 -9.087 -0.280 -5.119 1.00 10.00 C ATOM 55 C SER A 4 -8.450 0.255 -3.842 1.00 10.00 C ATOM 56 O SER A 4 -8.141 -0.513 -2.923 1.00 10.00 O ATOM 57 CB SER A 4 -10.557 0.140 -5.249 1.00 10.00 C ATOM 58 OG SER A 4 -10.827 1.402 -4.658 1.00 10.00 O ATOM 0 H SER A 4 -8.552 -2.111 -4.291 1.00 10.00 H new ATOM 0 HA SER A 4 -8.542 0.139 -5.965 1.00 10.00 H new ATOM 0 HB2 SER A 4 -10.828 0.174 -6.304 1.00 10.00 H new ATOM 0 HB3 SER A 4 -11.188 -0.616 -4.782 1.00 10.00 H new ATOM 0 HG SER A 4 -10.325 2.099 -5.130 1.00 10.00 H new ATOM 64 N CYS A 5 -8.235 1.565 -3.808 1.00 10.00 N ATOM 65 CA CYS A 5 -7.543 2.204 -2.704 1.00 10.00 C ATOM 66 C CYS A 5 -8.523 2.323 -1.545 1.00 10.00 C ATOM 67 O CYS A 5 -9.733 2.139 -1.660 1.00 10.00 O ATOM 68 CB CYS A 5 -7.057 3.583 -3.169 1.00 10.00 C ATOM 69 SG CYS A 5 -6.987 3.736 -4.966 1.00 10.00 S ATOM 0 H CYS A 5 -8.535 2.207 -4.542 1.00 10.00 H new ATOM 0 HA CYS A 5 -6.678 1.626 -2.378 1.00 10.00 H new ATOM 0 HB2 CYS A 5 -7.721 4.350 -2.770 1.00 10.00 H new ATOM 0 HB3 CYS A 5 -6.067 3.772 -2.755 1.00 10.00 H new ATOM 0 HG CYS A 5 -7.985 4.460 -5.379 1.00 10.00 H new ATOM 74 N SER A 6 -7.891 2.726 -0.428 1.00 10.00 N ATOM 75 CA SER A 6 -8.484 2.986 0.864 1.00 10.00 C ATOM 76 C SER A 6 -9.160 4.351 0.846 1.00 10.00 C ATOM 77 O SER A 6 -9.466 4.936 1.882 1.00 10.00 O ATOM 78 CB SER A 6 -7.389 2.909 1.930 1.00 10.00 C ATOM 79 OG SER A 6 -6.434 1.917 1.586 1.00 10.00 O ATOM 0 H SER A 6 -6.883 2.885 -0.421 1.00 10.00 H new ATOM 0 HA SER A 6 -9.246 2.242 1.098 1.00 10.00 H new ATOM 0 HB2 SER A 6 -6.898 3.877 2.027 1.00 10.00 H new ATOM 0 HB3 SER A 6 -7.831 2.677 2.899 1.00 10.00 H new ATOM 0 HG SER A 6 -5.935 1.652 2.387 1.00 10.00 H new ATOM 85 N ALA A 7 -9.371 4.848 -0.368 1.00 10.00 N ATOM 86 CA ALA A 7 -9.960 6.160 -0.565 1.00 10.00 C ATOM 87 C ALA A 7 -11.472 6.051 -0.414 1.00 10.00 C ATOM 88 O ALA A 7 -11.964 5.236 0.369 1.00 10.00 O ATOM 89 CB ALA A 7 -9.593 6.706 -1.932 1.00 10.00 C ATOM 0 H ALA A 7 -9.140 4.357 -1.232 1.00 10.00 H new ATOM 0 HA ALA A 7 -9.573 6.851 0.183 1.00 10.00 H new ATOM 0 HB1 ALA A 7 -10.043 7.690 -2.063 1.00 10.00 H new ATOM 0 HB2 ALA A 7 -8.509 6.789 -2.012 1.00 10.00 H new ATOM 0 HB3 ALA A 7 -9.963 6.032 -2.704 1.00 10.00 H new ATOM 95 N TYR A 8 -12.214 6.841 -1.159 1.00 10.00 N ATOM 96 CA TYR A 8 -13.660 6.779 -1.072 1.00 10.00 C ATOM 97 C TYR A 8 -14.252 6.490 -2.445 1.00 10.00 C ATOM 98 O TYR A 8 -14.707 7.392 -3.152 1.00 10.00 O ATOM 99 CB TYR A 8 -14.241 8.069 -0.458 1.00 10.00 C ATOM 100 CG TYR A 8 -15.756 8.099 -0.432 1.00 10.00 C ATOM 101 CD1 TYR A 8 -16.504 6.921 -0.421 1.00 10.00 C ATOM 102 CD2 TYR A 8 -16.440 9.308 -0.435 1.00 10.00 C ATOM 103 CE1 TYR A 8 -17.882 6.950 -0.417 1.00 10.00 C ATOM 104 CE2 TYR A 8 -17.825 9.344 -0.427 1.00 10.00 C ATOM 105 CZ TYR A 8 -18.539 8.160 -0.420 1.00 10.00 C ATOM 106 OH TYR A 8 -19.917 8.180 -0.414 1.00 10.00 O ATOM 0 H TYR A 8 -11.849 7.524 -1.823 1.00 10.00 H new ATOM 0 HA TYR A 8 -13.935 5.962 -0.404 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -13.866 8.178 0.560 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -13.878 8.927 -1.025 1.00 10.00 H new ATOM 0 HD1 TYR A 8 -15.994 5.969 -0.416 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -15.884 10.234 -0.444 1.00 10.00 H new ATOM 0 HE1 TYR A 8 -18.444 6.028 -0.412 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -18.344 10.291 -0.426 1.00 10.00 H new ATOM 0 HH TYR A 8 -20.231 9.108 -0.416 1.00 10.00 H new ATOM 116 N GLY A 9 -14.221 5.218 -2.821 1.00 10.00 N ATOM 117 CA GLY A 9 -14.800 4.805 -4.079 1.00 10.00 C ATOM 118 C GLY A 9 -13.876 4.951 -5.272 1.00 10.00 C ATOM 119 O GLY A 9 -14.333 5.042 -6.405 1.00 10.00 O ATOM 0 H GLY A 9 -13.804 4.465 -2.274 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -15.107 3.762 -3.999 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -15.702 5.390 -4.260 1.00 10.00 H new ATOM 123 N CYS A 10 -12.569 4.967 -5.020 1.00 10.00 N ATOM 124 CA CYS A 10 -11.593 5.121 -6.084 1.00 10.00 C ATOM 125 C CYS A 10 -11.243 3.795 -6.726 1.00 10.00 C ATOM 126 O CYS A 10 -10.190 3.217 -6.445 1.00 10.00 O ATOM 127 CB CYS A 10 -10.321 5.804 -5.570 1.00 10.00 C ATOM 128 SG CYS A 10 -8.979 5.832 -6.776 1.00 10.00 S ATOM 0 H CYS A 10 -12.166 4.875 -4.087 1.00 10.00 H new ATOM 0 HA CYS A 10 -12.052 5.753 -6.844 1.00 10.00 H new ATOM 0 HB2 CYS A 10 -10.560 6.827 -5.281 1.00 10.00 H new ATOM 0 HB3 CYS A 10 -9.980 5.290 -4.671 1.00 10.00 H new ATOM 0 HG CYS A 10 -8.001 6.557 -6.320 1.00 10.00 H new ATOM 133 N LYS A 11 -12.158 3.268 -7.526 1.00 10.00 N ATOM 134 CA LYS A 11 -11.898 2.038 -8.251 1.00 10.00 C ATOM 135 C LYS A 11 -10.915 2.358 -9.364 1.00 10.00 C ATOM 136 O LYS A 11 -11.256 2.238 -10.537 1.00 10.00 O ATOM 137 CB LYS A 11 -13.188 1.455 -8.807 1.00 10.00 C ATOM 138 CG LYS A 11 -14.021 0.728 -7.757 1.00 10.00 C ATOM 139 CD LYS A 11 -13.452 -0.656 -7.458 1.00 10.00 C ATOM 140 CE LYS A 11 -13.921 -1.190 -6.111 1.00 10.00 C ATOM 141 NZ LYS A 11 -15.338 -1.648 -6.140 1.00 10.00 N ATOM 0 H LYS A 11 -13.081 3.671 -7.688 1.00 10.00 H new ATOM 0 HA LYS A 11 -11.475 1.287 -7.584 1.00 10.00 H new ATOM 0 HB2 LYS A 11 -13.784 2.257 -9.242 1.00 10.00 H new ATOM 0 HB3 LYS A 11 -12.948 0.763 -9.614 1.00 10.00 H new ATOM 0 HG2 LYS A 11 -14.050 1.317 -6.841 1.00 10.00 H new ATOM 0 HG3 LYS A 11 -15.049 0.633 -8.107 1.00 10.00 H new ATOM 0 HD2 LYS A 11 -13.750 -1.348 -8.246 1.00 10.00 H new ATOM 0 HD3 LYS A 11 -12.363 -0.610 -7.470 1.00 10.00 H new ATOM 0 HE2 LYS A 11 -13.281 -2.019 -5.810 1.00 10.00 H new ATOM 0 HE3 LYS A 11 -13.810 -0.411 -5.357 1.00 10.00 H new ATOM 0 HZ1 LYS A 11 -15.608 -2.002 -5.200 1.00 10.00 H new ATOM 0 HZ2 LYS A 11 -15.955 -0.852 -6.401 1.00 10.00 H new ATOM 0 HZ3 LYS A 11 -15.442 -2.410 -6.840 1.00 10.00 H new ATOM 155 N ASN A 12 -9.707 2.764 -9.027 1.00 10.00 N ATOM 156 CA ASN A 12 -8.723 3.098 -10.049 1.00 10.00 C ATOM 157 C ASN A 12 -7.824 1.917 -10.364 1.00 10.00 C ATOM 158 O ASN A 12 -6.643 2.109 -10.652 1.00 10.00 O ATOM 159 CB ASN A 12 -7.879 4.289 -9.640 1.00 10.00 C ATOM 160 CG ASN A 12 -8.326 5.555 -10.344 1.00 10.00 C ATOM 161 OD1 ASN A 12 -8.862 5.502 -11.453 1.00 10.00 O ATOM 162 ND2 ASN A 12 -8.085 6.699 -9.735 1.00 10.00 N ATOM 0 H ASN A 12 -9.381 2.871 -8.066 1.00 10.00 H new ATOM 0 HA ASN A 12 -9.281 3.359 -10.948 1.00 10.00 H new ATOM 0 HB2 ASN A 12 -7.944 4.429 -8.561 1.00 10.00 H new ATOM 0 HB3 ASN A 12 -6.833 4.092 -9.873 1.00 10.00 H new ATOM 0 HD21 ASN A 12 -8.344 7.579 -10.181 1.00 10.00 H new ATOM 0 HD22 ASN A 12 -7.640 6.704 -8.817 1.00 10.00 H new ATOM 169 N ARG A 13 -8.390 0.720 -10.204 1.00 10.00 N ATOM 170 CA ARG A 13 -7.705 -0.572 -10.451 1.00 10.00 C ATOM 171 C ARG A 13 -6.546 -0.415 -11.436 1.00 10.00 C ATOM 172 O ARG A 13 -6.717 0.207 -12.487 1.00 10.00 O ATOM 173 CB ARG A 13 -8.711 -1.598 -10.991 1.00 10.00 C ATOM 174 CG ARG A 13 -8.586 -2.994 -10.379 1.00 10.00 C ATOM 175 CD ARG A 13 -7.169 -3.530 -10.491 1.00 10.00 C ATOM 176 NE ARG A 13 -7.124 -4.981 -10.636 1.00 10.00 N ATOM 177 CZ ARG A 13 -6.510 -5.609 -11.642 1.00 10.00 C ATOM 178 NH1 ARG A 13 -5.936 -4.914 -12.619 1.00 10.00 N ATOM 179 NH2 ARG A 13 -6.466 -6.935 -11.670 1.00 10.00 N ATOM 0 H ARG A 13 -9.355 0.608 -9.894 1.00 10.00 H new ATOM 0 HA ARG A 13 -7.295 -0.921 -9.503 1.00 10.00 H new ATOM 0 HB2 ARG A 13 -9.720 -1.226 -10.813 1.00 10.00 H new ATOM 0 HB3 ARG A 13 -8.586 -1.676 -12.071 1.00 10.00 H new ATOM 0 HG2 ARG A 13 -8.881 -2.960 -9.330 1.00 10.00 H new ATOM 0 HG3 ARG A 13 -9.274 -3.675 -10.881 1.00 10.00 H new ATOM 0 HD2 ARG A 13 -6.677 -3.068 -11.347 1.00 10.00 H new ATOM 0 HD3 ARG A 13 -6.605 -3.240 -9.605 1.00 10.00 H new ATOM 0 HE ARG A 13 -7.589 -5.549 -9.928 1.00 10.00 H new ATOM 0 HH11 ARG A 13 -5.963 -3.894 -12.603 1.00 10.00 H new ATOM 0 HH12 ARG A 13 -5.469 -5.400 -13.384 1.00 10.00 H new ATOM 0 HH21 ARG A 13 -6.901 -7.476 -10.923 1.00 10.00 H new ATOM 0 HH22 ARG A 13 -5.997 -7.414 -12.439 1.00 10.00 H new ATOM 193 N TYR A 14 -5.392 -1.023 -11.105 1.00 10.00 N ATOM 194 CA TYR A 14 -4.185 -0.913 -11.919 1.00 10.00 C ATOM 195 C TYR A 14 -4.497 -0.978 -13.405 1.00 10.00 C ATOM 196 O TYR A 14 -4.889 -2.020 -13.935 1.00 10.00 O ATOM 197 CB TYR A 14 -3.171 -2.015 -11.573 1.00 10.00 C ATOM 198 CG TYR A 14 -1.752 -1.510 -11.350 1.00 10.00 C ATOM 199 CD1 TYR A 14 -1.006 -0.906 -12.373 1.00 10.00 C ATOM 200 CD2 TYR A 14 -1.152 -1.641 -10.104 1.00 10.00 C ATOM 201 CE1 TYR A 14 0.284 -0.457 -12.141 1.00 10.00 C ATOM 202 CE2 TYR A 14 0.136 -1.192 -9.875 1.00 10.00 C ATOM 203 CZ TYR A 14 0.848 -0.604 -10.890 1.00 10.00 C ATOM 204 OH TYR A 14 2.130 -0.156 -10.656 1.00 10.00 O ATOM 0 H TYR A 14 -5.278 -1.598 -10.271 1.00 10.00 H new ATOM 0 HA TYR A 14 -3.751 0.061 -11.692 1.00 10.00 H new ATOM 0 HB2 TYR A 14 -3.506 -2.532 -10.674 1.00 10.00 H new ATOM 0 HB3 TYR A 14 -3.161 -2.750 -12.378 1.00 10.00 H new ATOM 0 HD1 TYR A 14 -1.443 -0.790 -13.354 1.00 10.00 H new ATOM 0 HD2 TYR A 14 -1.702 -2.103 -9.298 1.00 10.00 H new ATOM 0 HE1 TYR A 14 0.847 0.007 -12.937 1.00 10.00 H new ATOM 0 HE2 TYR A 14 0.581 -1.304 -8.897 1.00 10.00 H new ATOM 0 HH TYR A 14 2.374 -0.335 -9.724 1.00 10.00 H new ATOM 214 N ASP A 15 -4.337 0.154 -14.038 1.00 10.00 N ATOM 215 CA ASP A 15 -4.530 0.291 -15.462 1.00 10.00 C ATOM 216 C ASP A 15 -3.349 1.076 -15.935 1.00 10.00 C ATOM 217 O ASP A 15 -3.201 2.256 -15.641 1.00 10.00 O ATOM 218 CB ASP A 15 -5.845 0.997 -15.810 1.00 10.00 C ATOM 219 CG ASP A 15 -6.052 1.108 -17.311 1.00 10.00 C ATOM 220 OD1 ASP A 15 -5.423 0.331 -18.064 1.00 10.00 O ATOM 221 OD2 ASP A 15 -6.850 1.974 -17.741 1.00 10.00 O ATOM 0 H ASP A 15 -4.065 1.021 -13.574 1.00 10.00 H new ATOM 0 HA ASP A 15 -4.602 -0.683 -15.946 1.00 10.00 H new ATOM 0 HB2 ASP A 15 -6.678 0.450 -15.369 1.00 10.00 H new ATOM 0 HB3 ASP A 15 -5.849 1.994 -15.369 1.00 10.00 H new ATOM 226 N LYS A 16 -2.493 0.379 -16.634 1.00 10.00 N ATOM 227 CA LYS A 16 -1.285 0.931 -17.208 1.00 10.00 C ATOM 228 C LYS A 16 -1.591 2.111 -18.147 1.00 10.00 C ATOM 229 O LYS A 16 -0.701 2.877 -18.515 1.00 10.00 O ATOM 230 CB LYS A 16 -0.620 -0.182 -17.981 1.00 10.00 C ATOM 231 CG LYS A 16 -1.357 -0.500 -19.275 1.00 10.00 C ATOM 232 CD LYS A 16 -2.264 -1.708 -19.100 1.00 10.00 C ATOM 233 CE LYS A 16 -3.159 -1.939 -20.311 1.00 10.00 C ATOM 234 NZ LYS A 16 -4.288 -0.974 -20.371 1.00 10.00 N ATOM 0 H LYS A 16 -2.616 -0.615 -16.828 1.00 10.00 H new ATOM 0 HA LYS A 16 -0.639 1.314 -16.418 1.00 10.00 H new ATOM 0 HB2 LYS A 16 0.408 0.100 -18.210 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -0.575 -1.077 -17.361 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -1.948 0.362 -19.583 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -0.637 -0.693 -20.070 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -1.655 -2.595 -18.927 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -2.884 -1.569 -18.214 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -2.564 -1.856 -21.221 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -3.553 -2.955 -20.280 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -5.103 -1.422 -20.837 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -4.554 -0.690 -19.406 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -3.998 -0.134 -20.911 1.00 10.00 H new ATOM 248 N ASP A 17 -2.855 2.214 -18.524 1.00 10.00 N ATOM 249 CA ASP A 17 -3.315 3.291 -19.387 1.00 10.00 C ATOM 250 C ASP A 17 -3.344 4.593 -18.594 1.00 10.00 C ATOM 251 O ASP A 17 -3.261 5.690 -19.154 1.00 10.00 O ATOM 252 CB ASP A 17 -4.699 2.999 -19.929 1.00 10.00 C ATOM 253 CG ASP A 17 -4.674 2.106 -21.150 1.00 10.00 C ATOM 254 OD1 ASP A 17 -3.687 1.365 -21.334 1.00 10.00 O ATOM 255 OD2 ASP A 17 -5.647 2.131 -21.936 1.00 10.00 O ATOM 0 H ASP A 17 -3.586 1.560 -18.244 1.00 10.00 H new ATOM 0 HA ASP A 17 -2.628 3.379 -20.229 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.297 2.525 -19.150 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -5.191 3.938 -20.181 1.00 10.00 H new ATOM 260 N LYS A 18 -3.464 4.446 -17.282 1.00 10.00 N ATOM 261 CA LYS A 18 -3.497 5.572 -16.364 1.00 10.00 C ATOM 262 C LYS A 18 -2.155 5.631 -15.629 1.00 10.00 C ATOM 263 O LYS A 18 -1.517 4.598 -15.416 1.00 10.00 O ATOM 264 CB LYS A 18 -4.665 5.417 -15.377 1.00 10.00 C ATOM 265 CG LYS A 18 -4.300 4.720 -14.074 1.00 10.00 C ATOM 266 CD LYS A 18 -5.499 4.577 -13.148 1.00 10.00 C ATOM 267 CE LYS A 18 -6.126 5.924 -12.835 1.00 10.00 C ATOM 268 NZ LYS A 18 -7.296 6.218 -13.707 1.00 10.00 N ATOM 0 H LYS A 18 -3.541 3.538 -16.824 1.00 10.00 H new ATOM 0 HA LYS A 18 -3.652 6.503 -16.909 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -5.064 6.405 -15.147 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.463 4.857 -15.863 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -3.891 3.733 -14.293 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -3.517 5.284 -13.568 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -6.242 3.928 -13.611 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -5.188 4.095 -12.221 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -6.440 5.943 -11.791 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -5.378 6.708 -12.957 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -7.253 7.208 -14.024 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -7.279 5.589 -14.535 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -8.175 6.063 -13.173 1.00 10.00 H new ATOM 282 N PRO A 19 -1.685 6.821 -15.238 1.00 10.00 N ATOM 283 CA PRO A 19 -0.398 6.945 -14.570 1.00 10.00 C ATOM 284 C PRO A 19 -0.434 6.857 -13.042 1.00 10.00 C ATOM 285 O PRO A 19 -0.315 7.878 -12.360 1.00 10.00 O ATOM 286 CB PRO A 19 0.053 8.337 -15.019 1.00 10.00 C ATOM 287 CG PRO A 19 -1.208 9.124 -15.218 1.00 10.00 C ATOM 288 CD PRO A 19 -2.329 8.132 -15.432 1.00 10.00 C ATOM 0 HA PRO A 19 0.262 6.119 -14.835 1.00 10.00 H new ATOM 0 HB2 PRO A 19 0.692 8.803 -14.269 1.00 10.00 H new ATOM 0 HB3 PRO A 19 0.631 8.283 -15.941 1.00 10.00 H new ATOM 0 HG2 PRO A 19 -1.411 9.751 -14.350 1.00 10.00 H new ATOM 0 HG3 PRO A 19 -1.114 9.789 -16.077 1.00 10.00 H new ATOM 0 HD2 PRO A 19 -3.141 8.287 -14.721 1.00 10.00 H new ATOM 0 HD3 PRO A 19 -2.757 8.223 -16.430 1.00 10.00 H new ATOM 296 N VAL A 20 -0.595 5.658 -12.487 1.00 10.00 N ATOM 297 CA VAL A 20 -0.591 5.504 -11.025 1.00 10.00 C ATOM 298 C VAL A 20 0.130 4.217 -10.589 1.00 10.00 C ATOM 299 O VAL A 20 0.086 3.190 -11.264 1.00 10.00 O ATOM 300 CB VAL A 20 -2.018 5.522 -10.381 1.00 10.00 C ATOM 301 CG1 VAL A 20 -2.913 6.598 -10.976 1.00 10.00 C ATOM 302 CG2 VAL A 20 -2.697 4.168 -10.481 1.00 10.00 C ATOM 0 H VAL A 20 -0.728 4.792 -13.010 1.00 10.00 H new ATOM 0 HA VAL A 20 -0.051 6.378 -10.661 1.00 10.00 H new ATOM 0 HB VAL A 20 -1.867 5.760 -9.328 1.00 10.00 H new ATOM 0 HG11 VAL A 20 -3.890 6.566 -10.494 1.00 10.00 H new ATOM 0 HG12 VAL A 20 -2.461 7.577 -10.816 1.00 10.00 H new ATOM 0 HG13 VAL A 20 -3.030 6.423 -12.045 1.00 10.00 H new ATOM 0 HG21 VAL A 20 -3.685 4.222 -10.023 1.00 10.00 H new ATOM 0 HG22 VAL A 20 -2.798 3.888 -11.530 1.00 10.00 H new ATOM 0 HG23 VAL A 20 -2.097 3.421 -9.962 1.00 10.00 H new ATOM 312 N SER A 21 0.835 4.323 -9.462 1.00 10.00 N ATOM 313 CA SER A 21 1.571 3.206 -8.865 1.00 10.00 C ATOM 314 C SER A 21 0.801 2.715 -7.633 1.00 10.00 C ATOM 315 O SER A 21 -0.103 3.415 -7.159 1.00 10.00 O ATOM 316 CB SER A 21 2.960 3.686 -8.459 1.00 10.00 C ATOM 317 OG SER A 21 2.887 4.956 -7.820 1.00 10.00 O ATOM 0 H SER A 21 0.912 5.192 -8.934 1.00 10.00 H new ATOM 0 HA SER A 21 1.672 2.389 -9.579 1.00 10.00 H new ATOM 0 HB2 SER A 21 3.419 2.961 -7.787 1.00 10.00 H new ATOM 0 HB3 SER A 21 3.599 3.753 -9.340 1.00 10.00 H new ATOM 0 HG SER A 21 2.525 4.847 -6.916 1.00 10.00 H new ATOM 323 N PHE A 22 1.141 1.541 -7.092 1.00 10.00 N ATOM 324 CA PHE A 22 0.374 1.037 -5.964 1.00 10.00 C ATOM 325 C PHE A 22 1.120 0.765 -4.649 1.00 10.00 C ATOM 326 O PHE A 22 1.768 -0.268 -4.503 1.00 10.00 O ATOM 327 CB PHE A 22 -0.444 -0.186 -6.364 1.00 10.00 C ATOM 328 CG PHE A 22 -1.917 0.117 -6.495 1.00 10.00 C ATOM 329 CD1 PHE A 22 -2.706 0.289 -5.367 1.00 10.00 C ATOM 330 CD2 PHE A 22 -2.513 0.241 -7.745 1.00 10.00 C ATOM 331 CE1 PHE A 22 -4.055 0.574 -5.483 1.00 10.00 C ATOM 332 CE2 PHE A 22 -3.864 0.524 -7.863 1.00 10.00 C ATOM 333 CZ PHE A 22 -4.634 0.691 -6.732 1.00 10.00 C ATOM 0 H PHE A 22 1.910 0.948 -7.404 1.00 10.00 H new ATOM 0 HA PHE A 22 -0.265 1.885 -5.720 1.00 10.00 H new ATOM 0 HB2 PHE A 22 -0.071 -0.573 -7.312 1.00 10.00 H new ATOM 0 HB3 PHE A 22 -0.303 -0.971 -5.621 1.00 10.00 H new ATOM 0 HD1 PHE A 22 -2.262 0.199 -4.387 1.00 10.00 H new ATOM 0 HD2 PHE A 22 -1.915 0.115 -8.635 1.00 10.00 H new ATOM 0 HE1 PHE A 22 -4.656 0.705 -4.596 1.00 10.00 H new ATOM 0 HE2 PHE A 22 -4.314 0.614 -8.841 1.00 10.00 H new ATOM 0 HZ PHE A 22 -5.687 0.913 -6.822 1.00 10.00 H new ATOM 343 N HIS A 23 1.014 1.659 -3.697 1.00 10.00 N ATOM 344 CA HIS A 23 1.853 1.594 -2.485 1.00 10.00 C ATOM 345 C HIS A 23 1.140 1.183 -1.240 1.00 10.00 C ATOM 346 O HIS A 23 -0.050 1.245 -1.157 1.00 10.00 O ATOM 347 CB HIS A 23 2.387 2.982 -2.182 1.00 10.00 C ATOM 348 CG HIS A 23 2.063 3.974 -3.223 1.00 10.00 C ATOM 349 ND1 HIS A 23 0.817 4.501 -3.287 1.00 10.00 N ATOM 350 CD2 HIS A 23 2.731 4.421 -4.306 1.00 10.00 C ATOM 351 CE1 HIS A 23 0.696 5.214 -4.359 1.00 10.00 C ATOM 352 NE2 HIS A 23 1.848 5.199 -5.016 1.00 10.00 N ATOM 0 H HIS A 23 0.363 2.444 -3.720 1.00 10.00 H new ATOM 0 HA HIS A 23 2.612 0.847 -2.717 1.00 10.00 H new ATOM 0 HB2 HIS A 23 1.980 3.320 -1.229 1.00 10.00 H new ATOM 0 HB3 HIS A 23 3.469 2.929 -2.065 1.00 10.00 H new ATOM 0 HD1 HIS A 23 0.083 4.357 -2.593 1.00 10.00 H new ATOM 0 HD2 HIS A 23 3.758 4.209 -4.565 1.00 10.00 H new ATOM 0 HE1 HIS A 23 -0.197 5.736 -4.669 1.00 10.00 H new ATOM 361 N LYS A 24 1.911 0.824 -0.244 1.00 10.00 N ATOM 362 CA LYS A 24 1.307 0.460 1.014 1.00 10.00 C ATOM 363 C LYS A 24 1.288 1.641 1.991 1.00 10.00 C ATOM 364 O LYS A 24 1.967 2.641 1.740 1.00 10.00 O ATOM 365 CB LYS A 24 2.035 -0.734 1.632 1.00 10.00 C ATOM 366 CG LYS A 24 1.487 -2.075 1.169 1.00 10.00 C ATOM 367 CD LYS A 24 2.554 -3.156 1.207 1.00 10.00 C ATOM 368 CE LYS A 24 2.976 -3.480 2.632 1.00 10.00 C ATOM 369 NZ LYS A 24 4.314 -4.130 2.683 1.00 10.00 N ATOM 0 H LYS A 24 2.929 0.776 -0.275 1.00 10.00 H new ATOM 0 HA LYS A 24 0.273 0.177 0.816 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.094 -0.675 1.381 1.00 10.00 H new ATOM 0 HB3 LYS A 24 1.961 -0.674 2.718 1.00 10.00 H new ATOM 0 HG2 LYS A 24 0.650 -2.366 1.804 1.00 10.00 H new ATOM 0 HG3 LYS A 24 1.100 -1.980 0.155 1.00 10.00 H new ATOM 0 HD2 LYS A 24 2.176 -4.058 0.726 1.00 10.00 H new ATOM 0 HD3 LYS A 24 3.423 -2.830 0.635 1.00 10.00 H new ATOM 0 HE2 LYS A 24 2.995 -2.563 3.222 1.00 10.00 H new ATOM 0 HE3 LYS A 24 2.236 -4.137 3.089 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 4.563 -4.334 3.672 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 4.289 -5.018 2.142 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 5.025 -3.493 2.271 1.00 10.00 H new ATOM 383 N PHE A 25 0.513 1.566 3.058 1.00 10.00 N ATOM 384 CA PHE A 25 0.462 2.664 4.036 1.00 10.00 C ATOM 385 C PHE A 25 1.852 2.933 4.621 1.00 10.00 C ATOM 386 O PHE A 25 2.715 2.051 4.621 1.00 10.00 O ATOM 387 CB PHE A 25 -0.454 2.286 5.190 1.00 10.00 C ATOM 388 CG PHE A 25 -1.832 2.917 5.194 1.00 10.00 C ATOM 389 CD1 PHE A 25 -2.759 2.613 4.219 1.00 10.00 C ATOM 390 CD2 PHE A 25 -2.207 3.774 6.215 1.00 10.00 C ATOM 391 CE1 PHE A 25 -4.031 3.165 4.247 1.00 10.00 C ATOM 392 CE2 PHE A 25 -3.475 4.321 6.257 1.00 10.00 C ATOM 393 CZ PHE A 25 -4.388 4.018 5.269 1.00 10.00 C ATOM 0 H PHE A 25 -0.087 0.771 3.278 1.00 10.00 H new ATOM 0 HA PHE A 25 0.094 3.551 3.521 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -0.575 1.203 5.189 1.00 10.00 H new ATOM 0 HB3 PHE A 25 0.045 2.550 6.122 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -2.490 1.935 3.422 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -1.497 4.019 6.991 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -4.741 2.927 3.469 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -3.751 4.985 7.063 1.00 10.00 H new ATOM 0 HZ PHE A 25 -5.379 4.447 5.296 1.00 10.00 H new ATOM 403 N PRO A 26 2.082 4.142 5.163 1.00 10.00 N ATOM 404 CA PRO A 26 3.362 4.503 5.795 1.00 10.00 C ATOM 405 C PRO A 26 3.394 3.921 7.200 1.00 10.00 C ATOM 406 O PRO A 26 3.369 4.618 8.213 1.00 10.00 O ATOM 407 CB PRO A 26 3.231 6.016 5.896 1.00 10.00 C ATOM 408 CG PRO A 26 1.788 6.193 6.196 1.00 10.00 C ATOM 409 CD PRO A 26 1.111 5.257 5.248 1.00 10.00 C ATOM 0 HA PRO A 26 4.248 4.156 5.263 1.00 10.00 H new ATOM 0 HB2 PRO A 26 3.863 6.427 6.684 1.00 10.00 H new ATOM 0 HB3 PRO A 26 3.516 6.511 4.968 1.00 10.00 H new ATOM 0 HG2 PRO A 26 1.561 5.946 7.233 1.00 10.00 H new ATOM 0 HG3 PRO A 26 1.470 7.223 6.037 1.00 10.00 H new ATOM 0 HD2 PRO A 26 0.143 4.926 5.624 1.00 10.00 H new ATOM 0 HD3 PRO A 26 0.935 5.718 4.276 1.00 10.00 H new ATOM 417 N LEU A 27 3.456 2.595 7.197 1.00 10.00 N ATOM 418 CA LEU A 27 3.433 1.759 8.378 1.00 10.00 C ATOM 419 C LEU A 27 4.390 2.153 9.469 1.00 10.00 C ATOM 420 O LEU A 27 4.120 2.107 10.666 1.00 10.00 O ATOM 421 CB LEU A 27 3.656 0.298 7.988 1.00 10.00 C ATOM 422 CG LEU A 27 2.369 -0.480 7.709 1.00 10.00 C ATOM 423 CD1 LEU A 27 2.651 -1.969 7.540 1.00 10.00 C ATOM 424 CD2 LEU A 27 1.374 -0.240 8.829 1.00 10.00 C ATOM 0 H LEU A 27 3.526 2.057 6.334 1.00 10.00 H new ATOM 0 HA LEU A 27 2.442 1.903 8.807 1.00 10.00 H new ATOM 0 HB2 LEU A 27 4.288 0.263 7.101 1.00 10.00 H new ATOM 0 HB3 LEU A 27 4.202 -0.201 8.788 1.00 10.00 H new ATOM 0 HG LEU A 27 1.941 -0.122 6.773 1.00 10.00 H new ATOM 0 HD11 LEU A 27 1.717 -2.496 7.343 1.00 10.00 H new ATOM 0 HD12 LEU A 27 3.335 -2.117 6.704 1.00 10.00 H new ATOM 0 HD13 LEU A 27 3.103 -2.360 8.452 1.00 10.00 H new ATOM 0 HD21 LEU A 27 0.458 -0.796 8.627 1.00 10.00 H new ATOM 0 HD22 LEU A 27 1.802 -0.576 9.774 1.00 10.00 H new ATOM 0 HD23 LEU A 27 1.146 0.824 8.892 1.00 10.00 H new ATOM 436 N THR A 28 5.529 2.561 8.946 1.00 10.00 N ATOM 437 CA THR A 28 6.698 2.928 9.704 1.00 10.00 C ATOM 438 C THR A 28 6.712 4.407 10.106 1.00 10.00 C ATOM 439 O THR A 28 7.657 4.907 10.722 1.00 10.00 O ATOM 440 CB THR A 28 7.930 2.630 8.827 1.00 10.00 C ATOM 441 OG1 THR A 28 8.049 3.619 7.799 1.00 10.00 O ATOM 442 CG2 THR A 28 7.795 1.269 8.161 1.00 10.00 C ATOM 0 H THR A 28 5.666 2.648 7.939 1.00 10.00 H new ATOM 0 HA THR A 28 6.701 2.353 10.630 1.00 10.00 H new ATOM 0 HB THR A 28 8.811 2.641 9.469 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.835 3.424 7.247 1.00 10.00 H new ATOM 0 HG21 THR A 28 8.674 1.076 7.546 1.00 10.00 H new ATOM 0 HG22 THR A 28 7.710 0.497 8.925 1.00 10.00 H new ATOM 0 HG23 THR A 28 6.904 1.258 7.534 1.00 10.00 H new ATOM 450 N ARG A 29 5.629 5.088 9.738 1.00 10.00 N ATOM 451 CA ARG A 29 5.392 6.467 10.111 1.00 10.00 C ATOM 452 C ARG A 29 3.980 6.501 10.665 1.00 10.00 C ATOM 453 O ARG A 29 3.130 7.223 10.167 1.00 10.00 O ATOM 454 CB ARG A 29 5.529 7.369 8.881 1.00 10.00 C ATOM 455 CG ARG A 29 6.515 8.514 9.047 1.00 10.00 C ATOM 456 CD ARG A 29 5.924 9.646 9.869 1.00 10.00 C ATOM 457 NE ARG A 29 6.691 9.930 11.084 1.00 10.00 N ATOM 458 CZ ARG A 29 7.964 10.344 11.119 1.00 10.00 C ATOM 459 NH1 ARG A 29 8.650 10.531 9.992 1.00 10.00 N ATOM 460 NH2 ARG A 29 8.545 10.576 12.291 1.00 10.00 N ATOM 0 H ARG A 29 4.887 4.686 9.165 1.00 10.00 H new ATOM 0 HA ARG A 29 6.110 6.828 10.848 1.00 10.00 H new ATOM 0 HB2 ARG A 29 5.838 6.760 8.032 1.00 10.00 H new ATOM 0 HB3 ARG A 29 4.550 7.782 8.637 1.00 10.00 H new ATOM 0 HG2 ARG A 29 7.421 8.148 9.530 1.00 10.00 H new ATOM 0 HG3 ARG A 29 6.806 8.889 8.066 1.00 10.00 H new ATOM 0 HD2 ARG A 29 5.877 10.546 9.257 1.00 10.00 H new ATOM 0 HD3 ARG A 29 4.900 9.393 10.143 1.00 10.00 H new ATOM 0 HE ARG A 29 6.216 9.802 11.978 1.00 10.00 H new ATOM 0 HH11 ARG A 29 8.206 10.359 9.090 1.00 10.00 H new ATOM 0 HH12 ARG A 29 9.619 10.847 10.031 1.00 10.00 H new ATOM 0 HH21 ARG A 29 8.022 10.439 13.156 1.00 10.00 H new ATOM 0 HH22 ARG A 29 9.514 10.892 12.326 1.00 10.00 H new ATOM 474 N PRO A 30 3.737 5.719 11.737 1.00 10.00 N ATOM 475 CA PRO A 30 2.412 5.531 12.329 1.00 10.00 C ATOM 476 C PRO A 30 1.595 6.794 12.578 1.00 10.00 C ATOM 477 O PRO A 30 0.475 6.882 12.111 1.00 10.00 O ATOM 478 CB PRO A 30 2.676 4.835 13.653 1.00 10.00 C ATOM 479 CG PRO A 30 4.153 4.877 13.862 1.00 10.00 C ATOM 480 CD PRO A 30 4.754 4.972 12.500 1.00 10.00 C ATOM 0 HA PRO A 30 1.802 4.971 11.621 1.00 10.00 H new ATOM 0 HB2 PRO A 30 2.154 5.338 14.467 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.316 3.806 13.630 1.00 10.00 H new ATOM 0 HG2 PRO A 30 4.437 5.732 14.475 1.00 10.00 H new ATOM 0 HG3 PRO A 30 4.500 3.984 14.381 1.00 10.00 H new ATOM 0 HD2 PRO A 30 5.710 5.495 12.517 1.00 10.00 H new ATOM 0 HD3 PRO A 30 4.937 3.987 12.071 1.00 10.00 H new ATOM 488 N SER A 31 2.121 7.752 13.331 1.00 10.00 N ATOM 489 CA SER A 31 1.381 8.981 13.610 1.00 10.00 C ATOM 490 C SER A 31 0.887 9.590 12.309 1.00 10.00 C ATOM 491 O SER A 31 -0.284 9.933 12.167 1.00 10.00 O ATOM 492 CB SER A 31 2.288 9.953 14.355 1.00 10.00 C ATOM 493 OG SER A 31 3.452 9.284 14.817 1.00 10.00 O ATOM 0 H SER A 31 3.047 7.705 13.756 1.00 10.00 H new ATOM 0 HA SER A 31 0.515 8.760 14.233 1.00 10.00 H new ATOM 0 HB2 SER A 31 2.570 10.775 13.697 1.00 10.00 H new ATOM 0 HB3 SER A 31 1.752 10.388 15.198 1.00 10.00 H new ATOM 0 HG SER A 31 4.110 9.235 14.093 1.00 10.00 H new ATOM 499 N LEU A 32 1.778 9.610 11.328 1.00 10.00 N ATOM 500 CA LEU A 32 1.455 10.152 10.028 1.00 10.00 C ATOM 501 C LEU A 32 0.478 9.207 9.341 1.00 10.00 C ATOM 502 O LEU A 32 -0.453 9.638 8.671 1.00 10.00 O ATOM 503 CB LEU A 32 2.765 10.318 9.229 1.00 10.00 C ATOM 504 CG LEU A 32 2.666 10.902 7.823 1.00 10.00 C ATOM 505 CD1 LEU A 32 2.481 9.802 6.794 1.00 10.00 C ATOM 506 CD2 LEU A 32 1.558 11.928 7.741 1.00 10.00 C ATOM 0 H LEU A 32 2.730 9.255 11.414 1.00 10.00 H new ATOM 0 HA LEU A 32 0.980 11.130 10.104 1.00 10.00 H new ATOM 0 HB2 LEU A 32 3.435 10.952 9.810 1.00 10.00 H new ATOM 0 HB3 LEU A 32 3.239 9.339 9.154 1.00 10.00 H new ATOM 0 HG LEU A 32 3.603 11.411 7.598 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.413 10.242 5.799 1.00 10.00 H new ATOM 0 HD12 LEU A 32 3.331 9.121 6.832 1.00 10.00 H new ATOM 0 HD13 LEU A 32 1.566 9.251 7.011 1.00 10.00 H new ATOM 0 HD21 LEU A 32 1.508 12.329 6.729 1.00 10.00 H new ATOM 0 HD22 LEU A 32 0.607 11.458 7.992 1.00 10.00 H new ATOM 0 HD23 LEU A 32 1.759 12.737 8.443 1.00 10.00 H new ATOM 518 N CYS A 33 0.644 7.927 9.612 1.00 10.00 N ATOM 519 CA CYS A 33 -0.197 6.893 9.048 1.00 10.00 C ATOM 520 C CYS A 33 -1.595 7.140 9.553 1.00 10.00 C ATOM 521 O CYS A 33 -2.574 6.984 8.826 1.00 10.00 O ATOM 522 CB CYS A 33 0.296 5.544 9.564 1.00 10.00 C ATOM 523 SG CYS A 33 -0.417 4.097 8.756 1.00 10.00 S ATOM 0 H CYS A 33 1.371 7.575 10.234 1.00 10.00 H new ATOM 0 HA CYS A 33 -0.173 6.899 7.958 1.00 10.00 H new ATOM 0 HB2 CYS A 33 1.379 5.505 9.451 1.00 10.00 H new ATOM 0 HB3 CYS A 33 0.085 5.484 10.632 1.00 10.00 H new ATOM 0 HG CYS A 33 -1.437 4.460 8.037 1.00 10.00 H new ATOM 529 N LYS A 34 -1.682 7.561 10.794 1.00 10.00 N ATOM 530 CA LYS A 34 -2.929 7.781 11.467 1.00 10.00 C ATOM 531 C LYS A 34 -3.714 8.948 10.914 1.00 10.00 C ATOM 532 O LYS A 34 -4.938 8.961 11.028 1.00 10.00 O ATOM 533 CB LYS A 34 -2.596 7.963 12.940 1.00 10.00 C ATOM 534 CG LYS A 34 -3.576 8.802 13.722 1.00 10.00 C ATOM 535 CD LYS A 34 -2.832 9.730 14.659 1.00 10.00 C ATOM 536 CE LYS A 34 -3.702 10.154 15.832 1.00 10.00 C ATOM 537 NZ LYS A 34 -4.538 9.034 16.344 1.00 10.00 N ATOM 0 H LYS A 34 -0.866 7.763 11.371 1.00 10.00 H new ATOM 0 HA LYS A 34 -3.588 6.926 11.313 1.00 10.00 H new ATOM 0 HB2 LYS A 34 -2.532 6.980 13.406 1.00 10.00 H new ATOM 0 HB3 LYS A 34 -1.609 8.418 13.019 1.00 10.00 H new ATOM 0 HG2 LYS A 34 -4.196 9.382 13.039 1.00 10.00 H new ATOM 0 HG3 LYS A 34 -4.246 8.157 14.291 1.00 10.00 H new ATOM 0 HD2 LYS A 34 -1.936 9.232 15.030 1.00 10.00 H new ATOM 0 HD3 LYS A 34 -2.502 10.613 14.112 1.00 10.00 H new ATOM 0 HE2 LYS A 34 -3.068 10.529 16.636 1.00 10.00 H new ATOM 0 HE3 LYS A 34 -4.348 10.977 15.525 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 -4.804 9.223 17.331 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 -5.397 8.949 15.764 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 -3.998 8.147 16.295 1.00 10.00 H new ATOM 551 N GLU A 35 -3.078 9.940 10.306 1.00 10.00 N ATOM 552 CA GLU A 35 -3.920 11.012 9.792 1.00 10.00 C ATOM 553 C GLU A 35 -4.632 10.516 8.571 1.00 10.00 C ATOM 554 O GLU A 35 -5.708 11.017 8.232 1.00 10.00 O ATOM 555 CB GLU A 35 -3.217 12.302 9.467 1.00 10.00 C ATOM 556 CG GLU A 35 -1.722 12.172 9.286 1.00 10.00 C ATOM 557 CD GLU A 35 -0.976 13.427 9.705 1.00 10.00 C ATOM 558 OE1 GLU A 35 -0.920 13.711 10.922 1.00 10.00 O ATOM 559 OE2 GLU A 35 -0.450 14.144 8.831 1.00 10.00 O ATOM 0 H GLU A 35 -2.072 10.028 10.163 1.00 10.00 H new ATOM 0 HA GLU A 35 -4.602 11.263 10.604 1.00 10.00 H new ATOM 0 HB2 GLU A 35 -3.646 12.715 8.554 1.00 10.00 H new ATOM 0 HB3 GLU A 35 -3.413 13.019 10.264 1.00 10.00 H new ATOM 0 HG2 GLU A 35 -1.360 11.326 9.870 1.00 10.00 H new ATOM 0 HG3 GLU A 35 -1.503 11.955 8.241 1.00 10.00 H new ATOM 566 N TRP A 36 -4.058 9.497 7.936 1.00 10.00 N ATOM 567 CA TRP A 36 -4.678 8.927 6.772 1.00 10.00 C ATOM 568 C TRP A 36 -6.056 8.481 7.202 1.00 10.00 C ATOM 569 O TRP A 36 -7.003 8.584 6.415 1.00 10.00 O ATOM 570 CB TRP A 36 -3.884 7.743 6.198 1.00 10.00 C ATOM 571 CG TRP A 36 -2.539 8.114 5.634 1.00 10.00 C ATOM 572 CD1 TRP A 36 -1.685 9.076 6.101 1.00 10.00 C ATOM 573 CD2 TRP A 36 -1.890 7.525 4.490 1.00 10.00 C ATOM 574 NE1 TRP A 36 -0.559 9.136 5.312 1.00 10.00 N ATOM 575 CE2 TRP A 36 -0.657 8.192 4.326 1.00 10.00 C ATOM 576 CE3 TRP A 36 -2.230 6.505 3.583 1.00 10.00 C ATOM 577 CZ2 TRP A 36 0.230 7.877 3.300 1.00 10.00 C ATOM 578 CZ3 TRP A 36 -1.343 6.199 2.565 1.00 10.00 C ATOM 579 CH2 TRP A 36 -0.130 6.882 2.432 1.00 10.00 C ATOM 0 H TRP A 36 -3.177 9.063 8.213 1.00 10.00 H new ATOM 0 HA TRP A 36 -4.718 9.668 5.973 1.00 10.00 H new ATOM 0 HB2 TRP A 36 -3.743 7.000 6.983 1.00 10.00 H new ATOM 0 HB3 TRP A 36 -4.476 7.270 5.414 1.00 10.00 H new ATOM 0 HD1 TRP A 36 -1.868 9.698 6.964 1.00 10.00 H new ATOM 0 HE1 TRP A 36 0.222 9.780 5.441 1.00 10.00 H new ATOM 0 HE3 TRP A 36 -3.164 5.971 3.679 1.00 10.00 H new ATOM 0 HZ2 TRP A 36 1.169 8.399 3.193 1.00 10.00 H new ATOM 0 HZ3 TRP A 36 -1.592 5.419 1.861 1.00 10.00 H new ATOM 0 HH2 TRP A 36 0.538 6.618 1.626 1.00 10.00 H new ATOM 590 N GLU A 37 -6.189 8.090 8.478 1.00 10.00 N ATOM 591 CA GLU A 37 -7.467 7.620 8.972 1.00 10.00 C ATOM 592 C GLU A 37 -8.541 8.659 8.697 1.00 10.00 C ATOM 593 O GLU A 37 -9.617 8.408 8.158 1.00 10.00 O ATOM 594 CB GLU A 37 -7.433 7.236 10.461 1.00 10.00 C ATOM 595 CG GLU A 37 -6.267 6.346 10.855 1.00 10.00 C ATOM 596 CD GLU A 37 -6.343 4.935 10.321 1.00 10.00 C ATOM 597 OE1 GLU A 37 -6.084 4.728 9.120 1.00 10.00 O ATOM 598 OE2 GLU A 37 -6.596 4.014 11.126 1.00 10.00 O ATOM 0 H GLU A 37 -5.436 8.093 9.166 1.00 10.00 H new ATOM 0 HA GLU A 37 -7.706 6.703 8.433 1.00 10.00 H new ATOM 0 HB2 GLU A 37 -7.396 8.147 11.058 1.00 10.00 H new ATOM 0 HB3 GLU A 37 -8.363 6.727 10.714 1.00 10.00 H new ATOM 0 HG2 GLU A 37 -5.343 6.804 10.503 1.00 10.00 H new ATOM 0 HG3 GLU A 37 -6.209 6.306 11.943 1.00 10.00 H new ATOM 605 N ALA A 38 -8.124 9.882 9.105 1.00 10.00 N ATOM 606 CA ALA A 38 -8.889 11.119 9.006 1.00 10.00 C ATOM 607 C ALA A 38 -9.346 11.404 7.594 1.00 10.00 C ATOM 608 O ALA A 38 -10.440 11.923 7.386 1.00 10.00 O ATOM 609 CB ALA A 38 -8.049 12.282 9.527 1.00 10.00 C ATOM 0 H ALA A 38 -7.206 10.024 9.527 1.00 10.00 H new ATOM 0 HA ALA A 38 -9.785 11.001 9.615 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -8.622 13.206 9.453 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -7.785 12.102 10.569 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.140 12.369 8.932 1.00 10.00 H new ATOM 615 N ALA A 39 -8.535 11.071 6.618 1.00 10.00 N ATOM 616 CA ALA A 39 -8.902 11.326 5.240 1.00 10.00 C ATOM 617 C ALA A 39 -9.753 10.189 4.682 1.00 10.00 C ATOM 618 O ALA A 39 -10.400 10.331 3.644 1.00 10.00 O ATOM 619 CB ALA A 39 -7.651 11.524 4.396 1.00 10.00 C ATOM 0 H ALA A 39 -7.626 10.627 6.747 1.00 10.00 H new ATOM 0 HA ALA A 39 -9.498 12.238 5.204 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -7.936 11.715 3.362 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.084 12.373 4.779 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -7.035 10.626 4.442 1.00 10.00 H new ATOM 625 N VAL A 40 -9.781 9.080 5.406 1.00 10.00 N ATOM 626 CA VAL A 40 -10.657 7.967 5.069 1.00 10.00 C ATOM 627 C VAL A 40 -11.977 8.153 5.833 1.00 10.00 C ATOM 628 O VAL A 40 -12.574 7.215 6.361 1.00 10.00 O ATOM 629 CB VAL A 40 -10.025 6.612 5.409 1.00 10.00 C ATOM 630 CG1 VAL A 40 -10.829 5.476 4.797 1.00 10.00 C ATOM 631 CG2 VAL A 40 -8.582 6.559 4.932 1.00 10.00 C ATOM 0 H VAL A 40 -9.205 8.926 6.234 1.00 10.00 H new ATOM 0 HA VAL A 40 -10.832 7.965 3.993 1.00 10.00 H new ATOM 0 HB VAL A 40 -10.034 6.495 6.493 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -10.364 4.523 5.050 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -11.846 5.498 5.188 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -10.854 5.591 3.713 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -8.151 5.590 5.183 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -8.550 6.702 3.852 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -8.009 7.348 5.419 1.00 10.00 H new ATOM 641 N ARG A 41 -12.365 9.423 5.912 1.00 10.00 N ATOM 642 CA ARG A 41 -13.555 9.918 6.632 1.00 10.00 C ATOM 643 C ARG A 41 -14.890 9.258 6.254 1.00 10.00 C ATOM 644 O ARG A 41 -15.947 9.771 6.614 1.00 10.00 O ATOM 645 CB ARG A 41 -13.671 11.441 6.431 1.00 10.00 C ATOM 646 CG ARG A 41 -14.248 11.864 5.081 1.00 10.00 C ATOM 647 CD ARG A 41 -13.241 11.728 3.946 1.00 10.00 C ATOM 648 NE ARG A 41 -13.375 12.807 2.973 1.00 10.00 N ATOM 649 CZ ARG A 41 -12.494 13.064 2.007 1.00 10.00 C ATOM 650 NH1 ARG A 41 -11.400 12.327 1.880 1.00 10.00 N ATOM 651 NH2 ARG A 41 -12.698 14.073 1.172 1.00 10.00 N ATOM 0 H ARG A 41 -11.843 10.174 5.460 1.00 10.00 H new ATOM 0 HA ARG A 41 -13.388 9.648 7.675 1.00 10.00 H new ATOM 0 HB2 ARG A 41 -14.297 11.852 7.223 1.00 10.00 H new ATOM 0 HB3 ARG A 41 -12.682 11.885 6.543 1.00 10.00 H new ATOM 0 HG2 ARG A 41 -15.125 11.257 4.858 1.00 10.00 H new ATOM 0 HG3 ARG A 41 -14.584 12.899 5.142 1.00 10.00 H new ATOM 0 HD2 ARG A 41 -12.230 11.730 4.354 1.00 10.00 H new ATOM 0 HD3 ARG A 41 -13.382 10.769 3.448 1.00 10.00 H new ATOM 0 HE ARG A 41 -14.199 13.405 3.037 1.00 10.00 H new ATOM 0 HH11 ARG A 41 -11.227 11.556 2.525 1.00 10.00 H new ATOM 0 HH12 ARG A 41 -10.731 12.531 1.138 1.00 10.00 H new ATOM 0 HH21 ARG A 41 -13.531 14.654 1.268 1.00 10.00 H new ATOM 0 HH22 ARG A 41 -12.022 14.268 0.433 1.00 10.00 H new ATOM 665 N ARG A 42 -14.875 8.142 5.551 1.00 10.00 N ATOM 666 CA ARG A 42 -16.120 7.511 5.171 1.00 10.00 C ATOM 667 C ARG A 42 -16.493 6.385 6.121 1.00 10.00 C ATOM 668 O ARG A 42 -15.620 5.731 6.684 1.00 10.00 O ATOM 669 CB ARG A 42 -16.043 6.983 3.743 1.00 10.00 C ATOM 670 CG ARG A 42 -17.349 7.129 2.987 1.00 10.00 C ATOM 671 CD ARG A 42 -17.762 8.586 2.862 1.00 10.00 C ATOM 672 NE ARG A 42 -19.209 8.730 2.708 1.00 10.00 N ATOM 673 CZ ARG A 42 -19.863 9.888 2.829 1.00 10.00 C ATOM 674 NH1 ARG A 42 -19.205 11.000 3.113 1.00 10.00 N ATOM 675 NH2 ARG A 42 -21.177 9.934 2.663 1.00 10.00 N ATOM 0 H ARG A 42 -14.031 7.662 5.237 1.00 10.00 H new ATOM 0 HA ARG A 42 -16.898 8.272 5.228 1.00 10.00 H new ATOM 0 HB2 ARG A 42 -15.257 7.515 3.206 1.00 10.00 H new ATOM 0 HB3 ARG A 42 -15.758 5.931 3.765 1.00 10.00 H new ATOM 0 HG2 ARG A 42 -17.246 6.693 1.993 1.00 10.00 H new ATOM 0 HG3 ARG A 42 -18.132 6.571 3.500 1.00 10.00 H new ATOM 0 HD2 ARG A 42 -17.434 9.134 3.746 1.00 10.00 H new ATOM 0 HD3 ARG A 42 -17.259 9.034 2.005 1.00 10.00 H new ATOM 0 HE ARG A 42 -19.753 7.894 2.495 1.00 10.00 H new ATOM 0 HH11 ARG A 42 -18.193 10.975 3.241 1.00 10.00 H new ATOM 0 HH12 ARG A 42 -19.709 11.882 3.204 1.00 10.00 H new ATOM 0 HH21 ARG A 42 -21.693 9.083 2.442 1.00 10.00 H new ATOM 0 HH22 ARG A 42 -21.672 10.821 2.756 1.00 10.00 H new ATOM 689 N LYS A 43 -17.798 6.178 6.303 1.00 10.00 N ATOM 690 CA LYS A 43 -18.301 5.111 7.164 1.00 10.00 C ATOM 691 C LYS A 43 -17.673 3.784 6.770 1.00 10.00 C ATOM 692 O LYS A 43 -17.233 3.009 7.622 1.00 10.00 O ATOM 693 CB LYS A 43 -19.833 5.014 7.053 1.00 10.00 C ATOM 694 CG LYS A 43 -20.377 3.590 7.155 1.00 10.00 C ATOM 695 CD LYS A 43 -21.899 3.567 7.086 1.00 10.00 C ATOM 696 CE LYS A 43 -22.479 2.311 7.731 1.00 10.00 C ATOM 697 NZ LYS A 43 -22.265 1.089 6.904 1.00 10.00 N ATOM 0 H LYS A 43 -18.527 6.739 5.863 1.00 10.00 H new ATOM 0 HA LYS A 43 -18.035 5.341 8.196 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -20.283 5.620 7.839 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -20.145 5.444 6.101 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -19.966 2.984 6.348 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -20.047 3.140 8.091 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -22.298 4.449 7.586 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -22.216 3.620 6.044 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -22.023 2.167 8.710 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -23.547 2.452 7.895 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -22.678 0.266 7.388 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -22.722 1.212 5.978 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -21.245 0.936 6.769 1.00 10.00 H new ATOM 711 N ASN A 44 -17.627 3.542 5.469 1.00 10.00 N ATOM 712 CA ASN A 44 -17.055 2.319 4.946 1.00 10.00 C ATOM 713 C ASN A 44 -15.539 2.432 4.858 1.00 10.00 C ATOM 714 O ASN A 44 -14.964 2.450 3.766 1.00 10.00 O ATOM 715 CB ASN A 44 -17.651 1.971 3.575 1.00 10.00 C ATOM 716 CG ASN A 44 -17.815 3.179 2.667 1.00 10.00 C ATOM 717 OD1 ASN A 44 -16.879 3.608 1.996 1.00 10.00 O ATOM 718 ND2 ASN A 44 -19.022 3.724 2.630 1.00 10.00 N ATOM 0 H ASN A 44 -17.981 4.181 4.757 1.00 10.00 H new ATOM 0 HA ASN A 44 -17.303 1.511 5.634 1.00 10.00 H new ATOM 0 HB2 ASN A 44 -17.010 1.240 3.083 1.00 10.00 H new ATOM 0 HB3 ASN A 44 -18.623 1.498 3.718 1.00 10.00 H new ATOM 0 HD21 ASN A 44 -19.200 4.529 2.029 1.00 10.00 H new ATOM 0 HD22 ASN A 44 -19.773 3.339 3.202 1.00 10.00 H new ATOM 725 N PHE A 45 -14.907 2.573 6.020 1.00 10.00 N ATOM 726 CA PHE A 45 -13.456 2.655 6.092 1.00 10.00 C ATOM 727 C PHE A 45 -12.876 1.403 5.446 1.00 10.00 C ATOM 728 O PHE A 45 -13.171 0.284 5.864 1.00 10.00 O ATOM 729 CB PHE A 45 -12.973 2.800 7.554 1.00 10.00 C ATOM 730 CG PHE A 45 -11.478 3.053 7.718 1.00 10.00 C ATOM 731 CD1 PHE A 45 -10.563 2.036 7.498 1.00 10.00 C ATOM 732 CD2 PHE A 45 -10.985 4.299 8.102 1.00 10.00 C ATOM 733 CE1 PHE A 45 -9.207 2.242 7.647 1.00 10.00 C ATOM 734 CE2 PHE A 45 -9.627 4.509 8.251 1.00 10.00 C ATOM 735 CZ PHE A 45 -8.737 3.479 8.022 1.00 10.00 C ATOM 0 H PHE A 45 -15.379 2.633 6.922 1.00 10.00 H new ATOM 0 HA PHE A 45 -13.112 3.541 5.559 1.00 10.00 H new ATOM 0 HB2 PHE A 45 -13.518 3.620 8.021 1.00 10.00 H new ATOM 0 HB3 PHE A 45 -13.234 1.893 8.099 1.00 10.00 H new ATOM 0 HD1 PHE A 45 -10.919 1.060 7.203 1.00 10.00 H new ATOM 0 HD2 PHE A 45 -11.673 5.111 8.285 1.00 10.00 H new ATOM 0 HE1 PHE A 45 -8.515 1.432 7.469 1.00 10.00 H new ATOM 0 HE2 PHE A 45 -9.261 5.481 8.547 1.00 10.00 H new ATOM 0 HZ PHE A 45 -7.676 3.644 8.137 1.00 10.00 H new ATOM 745 N LYS A 46 -12.114 1.621 4.389 1.00 10.00 N ATOM 746 CA LYS A 46 -11.456 0.564 3.627 1.00 10.00 C ATOM 747 C LYS A 46 -10.473 -0.224 4.509 1.00 10.00 C ATOM 748 O LYS A 46 -10.489 -0.069 5.714 1.00 10.00 O ATOM 749 CB LYS A 46 -10.773 1.216 2.422 1.00 10.00 C ATOM 750 CG LYS A 46 -11.357 0.760 1.096 1.00 10.00 C ATOM 751 CD LYS A 46 -11.965 1.916 0.321 1.00 10.00 C ATOM 752 CE LYS A 46 -13.347 2.269 0.848 1.00 10.00 C ATOM 753 NZ LYS A 46 -14.331 1.182 0.598 1.00 10.00 N ATOM 0 H LYS A 46 -11.929 2.556 4.025 1.00 10.00 H new ATOM 0 HA LYS A 46 -12.183 -0.167 3.274 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -10.864 2.299 2.501 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -9.708 0.984 2.444 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -10.576 0.291 0.497 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -12.119 0.002 1.276 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -11.313 2.787 0.392 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -12.032 1.653 -0.735 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -13.288 2.466 1.918 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -13.693 3.188 0.374 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -15.293 1.577 0.600 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -14.138 0.745 -0.326 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -14.251 0.463 1.345 1.00 10.00 H new ATOM 767 N PRO A 47 -9.654 -1.143 3.938 1.00 10.00 N ATOM 768 CA PRO A 47 -8.665 -1.917 4.706 1.00 10.00 C ATOM 769 C PRO A 47 -7.874 -1.053 5.690 1.00 10.00 C ATOM 770 O PRO A 47 -7.935 0.176 5.698 1.00 10.00 O ATOM 771 CB PRO A 47 -7.804 -2.535 3.626 1.00 10.00 C ATOM 772 CG PRO A 47 -8.748 -2.736 2.505 1.00 10.00 C ATOM 773 CD PRO A 47 -9.638 -1.530 2.522 1.00 10.00 C ATOM 0 HA PRO A 47 -9.119 -2.665 5.356 1.00 10.00 H new ATOM 0 HB2 PRO A 47 -6.981 -1.879 3.345 1.00 10.00 H new ATOM 0 HB3 PRO A 47 -7.363 -3.477 3.954 1.00 10.00 H new ATOM 0 HG2 PRO A 47 -8.220 -2.823 1.556 1.00 10.00 H new ATOM 0 HG3 PRO A 47 -9.324 -3.653 2.634 1.00 10.00 H new ATOM 0 HD2 PRO A 47 -9.246 -0.732 1.891 1.00 10.00 H new ATOM 0 HD3 PRO A 47 -10.638 -1.763 2.157 1.00 10.00 H new ATOM 781 N THR A 48 -7.012 -1.731 6.427 1.00 10.00 N ATOM 782 CA THR A 48 -6.070 -1.076 7.294 1.00 10.00 C ATOM 783 C THR A 48 -4.958 -0.698 6.348 1.00 10.00 C ATOM 784 O THR A 48 -5.107 -0.612 5.135 1.00 10.00 O ATOM 785 CB THR A 48 -5.593 -2.012 8.399 1.00 10.00 C ATOM 786 OG1 THR A 48 -4.770 -3.077 7.865 1.00 10.00 O ATOM 787 CG2 THR A 48 -6.805 -2.608 9.036 1.00 10.00 C ATOM 0 H THR A 48 -6.952 -2.749 6.436 1.00 10.00 H new ATOM 0 HA THR A 48 -6.484 -0.218 7.824 1.00 10.00 H new ATOM 0 HB THR A 48 -4.994 -1.451 9.117 1.00 10.00 H new ATOM 0 HG1 THR A 48 -4.609 -3.747 8.562 1.00 10.00 H new ATOM 0 HG21 THR A 48 -6.501 -3.285 9.834 1.00 10.00 H new ATOM 0 HG22 THR A 48 -7.426 -1.814 9.451 1.00 10.00 H new ATOM 0 HG23 THR A 48 -7.375 -3.160 8.289 1.00 10.00 H new ATOM 795 N LYS A 49 -3.801 -0.567 6.955 1.00 10.00 N ATOM 796 CA LYS A 49 -2.614 -0.086 6.295 1.00 10.00 C ATOM 797 C LYS A 49 -1.760 -1.187 5.665 1.00 10.00 C ATOM 798 O LYS A 49 -0.711 -0.895 5.096 1.00 10.00 O ATOM 799 CB LYS A 49 -1.784 0.658 7.349 1.00 10.00 C ATOM 800 CG LYS A 49 -1.933 0.150 8.785 1.00 10.00 C ATOM 801 CD LYS A 49 -2.434 1.252 9.705 1.00 10.00 C ATOM 802 CE LYS A 49 -3.953 1.334 9.706 1.00 10.00 C ATOM 803 NZ LYS A 49 -4.435 2.706 10.014 1.00 10.00 N ATOM 0 H LYS A 49 -3.658 -0.796 7.939 1.00 10.00 H new ATOM 0 HA LYS A 49 -2.924 0.555 5.469 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -0.733 0.597 7.068 1.00 10.00 H new ATOM 0 HB3 LYS A 49 -2.059 1.712 7.325 1.00 10.00 H new ATOM 0 HG2 LYS A 49 -2.627 -0.690 8.807 1.00 10.00 H new ATOM 0 HG3 LYS A 49 -0.973 -0.220 9.145 1.00 10.00 H new ATOM 0 HD2 LYS A 49 -2.078 1.070 10.719 1.00 10.00 H new ATOM 0 HD3 LYS A 49 -2.018 2.208 9.388 1.00 10.00 H new ATOM 0 HE2 LYS A 49 -4.334 1.026 8.732 1.00 10.00 H new ATOM 0 HE3 LYS A 49 -4.354 0.635 10.440 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -5.200 2.656 10.717 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 -3.650 3.272 10.396 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -4.793 3.152 9.145 1.00 10.00 H new ATOM 817 N TYR A 50 -2.167 -2.445 5.774 1.00 10.00 N ATOM 818 CA TYR A 50 -1.438 -3.480 5.069 1.00 10.00 C ATOM 819 C TYR A 50 -1.910 -3.407 3.635 1.00 10.00 C ATOM 820 O TYR A 50 -1.126 -3.728 2.747 1.00 10.00 O ATOM 821 CB TYR A 50 -1.748 -4.841 5.647 1.00 10.00 C ATOM 822 CG TYR A 50 -1.109 -5.123 6.981 1.00 10.00 C ATOM 823 CD1 TYR A 50 0.196 -5.576 7.062 1.00 10.00 C ATOM 824 CD2 TYR A 50 -1.837 -4.998 8.156 1.00 10.00 C ATOM 825 CE1 TYR A 50 0.758 -5.912 8.269 1.00 10.00 C ATOM 826 CE2 TYR A 50 -1.276 -5.311 9.374 1.00 10.00 C ATOM 827 CZ TYR A 50 0.024 -5.777 9.422 1.00 10.00 C ATOM 828 OH TYR A 50 0.577 -6.167 10.612 1.00 10.00 O ATOM 0 H TYR A 50 -2.967 -2.762 6.322 1.00 10.00 H new ATOM 0 HA TYR A 50 -0.361 -3.334 5.153 1.00 10.00 H new ATOM 0 HB2 TYR A 50 -2.829 -4.938 5.750 1.00 10.00 H new ATOM 0 HB3 TYR A 50 -1.426 -5.603 4.938 1.00 10.00 H new ATOM 0 HD1 TYR A 50 0.783 -5.667 6.160 1.00 10.00 H new ATOM 0 HD2 TYR A 50 -2.859 -4.650 8.114 1.00 10.00 H new ATOM 0 HE1 TYR A 50 1.772 -6.281 8.311 1.00 10.00 H new ATOM 0 HE2 TYR A 50 -1.847 -5.193 10.283 1.00 10.00 H new ATOM 0 HH TYR A 50 -0.063 -6.009 11.337 1.00 10.00 H new ATOM 838 N SER A 51 -3.148 -3.053 3.354 1.00 10.00 N ATOM 839 CA SER A 51 -3.524 -2.895 1.948 1.00 10.00 C ATOM 840 C SER A 51 -2.678 -1.785 1.317 1.00 10.00 C ATOM 841 O SER A 51 -1.938 -1.053 1.987 1.00 10.00 O ATOM 842 CB SER A 51 -5.002 -2.586 1.810 1.00 10.00 C ATOM 843 OG SER A 51 -5.366 -1.554 2.684 1.00 10.00 O ATOM 0 H SER A 51 -3.885 -2.875 4.036 1.00 10.00 H new ATOM 0 HA SER A 51 -3.335 -3.833 1.425 1.00 10.00 H new ATOM 0 HB2 SER A 51 -5.226 -2.298 0.783 1.00 10.00 H new ATOM 0 HB3 SER A 51 -5.589 -3.479 2.026 1.00 10.00 H new ATOM 0 HG SER A 51 -5.253 -1.854 3.610 1.00 10.00 H new ATOM 849 N SER A 52 -2.827 -1.662 0.005 1.00 10.00 N ATOM 850 CA SER A 52 -2.096 -0.694 -0.774 1.00 10.00 C ATOM 851 C SER A 52 -3.043 0.420 -1.265 1.00 10.00 C ATOM 852 O SER A 52 -4.266 0.247 -1.335 1.00 10.00 O ATOM 853 CB SER A 52 -1.393 -1.439 -1.926 1.00 10.00 C ATOM 854 OG SER A 52 -2.064 -2.669 -2.249 1.00 10.00 O ATOM 0 H SER A 52 -3.464 -2.238 -0.544 1.00 10.00 H new ATOM 0 HA SER A 52 -1.334 -0.199 -0.172 1.00 10.00 H new ATOM 0 HB2 SER A 52 -1.361 -0.799 -2.808 1.00 10.00 H new ATOM 0 HB3 SER A 52 -0.360 -1.650 -1.647 1.00 10.00 H new ATOM 0 HG SER A 52 -1.594 -3.115 -2.984 1.00 10.00 H new ATOM 860 N ILE A 53 -2.434 1.560 -1.614 1.00 10.00 N ATOM 861 CA ILE A 53 -3.123 2.772 -2.035 1.00 10.00 C ATOM 862 C ILE A 53 -2.476 3.240 -3.355 1.00 10.00 C ATOM 863 O ILE A 53 -1.343 2.856 -3.627 1.00 10.00 O ATOM 864 CB ILE A 53 -3.042 3.887 -0.939 1.00 10.00 C ATOM 865 CG1 ILE A 53 -3.794 3.490 0.346 1.00 10.00 C ATOM 866 CG2 ILE A 53 -3.616 5.197 -1.452 1.00 10.00 C ATOM 867 CD1 ILE A 53 -3.137 2.395 1.159 1.00 10.00 C ATOM 0 H ILE A 53 -1.419 1.661 -1.609 1.00 10.00 H new ATOM 0 HA ILE A 53 -4.183 2.566 -2.185 1.00 10.00 H new ATOM 0 HB ILE A 53 -1.985 4.011 -0.704 1.00 10.00 H new ATOM 0 HG12 ILE A 53 -3.901 4.374 0.974 1.00 10.00 H new ATOM 0 HG13 ILE A 53 -4.800 3.168 0.076 1.00 10.00 H new ATOM 0 HG21 ILE A 53 -3.548 5.955 -0.671 1.00 10.00 H new ATOM 0 HG22 ILE A 53 -3.052 5.524 -2.326 1.00 10.00 H new ATOM 0 HG23 ILE A 53 -4.661 5.053 -1.728 1.00 10.00 H new ATOM 0 HD11 ILE A 53 -3.740 2.186 2.043 1.00 10.00 H new ATOM 0 HD12 ILE A 53 -3.055 1.492 0.554 1.00 10.00 H new ATOM 0 HD13 ILE A 53 -2.142 2.717 1.467 1.00 10.00 H new ATOM 879 N CYS A 54 -3.151 4.046 -4.180 1.00 10.00 N ATOM 880 CA CYS A 54 -2.526 4.513 -5.416 1.00 10.00 C ATOM 881 C CYS A 54 -2.117 6.005 -5.338 1.00 10.00 C ATOM 882 O CYS A 54 -2.658 6.788 -4.559 1.00 10.00 O ATOM 883 CB CYS A 54 -3.429 4.200 -6.613 1.00 10.00 C ATOM 884 SG CYS A 54 -4.895 5.218 -6.731 1.00 10.00 S ATOM 0 H CYS A 54 -4.102 4.379 -4.020 1.00 10.00 H new ATOM 0 HA CYS A 54 -1.593 3.968 -5.558 1.00 10.00 H new ATOM 0 HB2 CYS A 54 -2.849 4.315 -7.528 1.00 10.00 H new ATOM 0 HB3 CYS A 54 -3.733 3.155 -6.558 1.00 10.00 H new ATOM 0 HG CYS A 54 -5.855 4.678 -6.041 1.00 10.00 H new ATOM 889 N SER A 55 -1.133 6.344 -6.171 1.00 10.00 N ATOM 890 CA SER A 55 -0.439 7.652 -6.225 1.00 10.00 C ATOM 891 C SER A 55 -1.290 8.924 -6.279 1.00 10.00 C ATOM 892 O SER A 55 -0.993 9.889 -5.580 1.00 10.00 O ATOM 893 CB SER A 55 0.509 7.616 -7.420 1.00 10.00 C ATOM 894 OG SER A 55 -0.151 7.137 -8.571 1.00 10.00 O ATOM 0 H SER A 55 -0.773 5.689 -6.865 1.00 10.00 H new ATOM 0 HA SER A 55 0.058 7.746 -5.260 1.00 10.00 H new ATOM 0 HB2 SER A 55 0.900 8.616 -7.609 1.00 10.00 H new ATOM 0 HB3 SER A 55 1.363 6.977 -7.193 1.00 10.00 H new ATOM 0 HG SER A 55 -0.226 7.859 -9.230 1.00 10.00 H new ATOM 900 N GLU A 56 -2.343 8.925 -7.062 1.00 10.00 N ATOM 901 CA GLU A 56 -3.186 10.099 -7.267 1.00 10.00 C ATOM 902 C GLU A 56 -3.765 10.700 -5.981 1.00 10.00 C ATOM 903 O GLU A 56 -4.243 11.828 -5.980 1.00 10.00 O ATOM 904 CB GLU A 56 -4.339 9.679 -8.163 1.00 10.00 C ATOM 905 CG GLU A 56 -4.786 8.261 -7.868 1.00 10.00 C ATOM 906 CD GLU A 56 -6.267 8.136 -7.603 1.00 10.00 C ATOM 907 OE1 GLU A 56 -7.038 9.013 -8.026 1.00 10.00 O ATOM 908 OE2 GLU A 56 -6.672 7.125 -6.967 1.00 10.00 O ATOM 0 H GLU A 56 -2.650 8.105 -7.585 1.00 10.00 H new ATOM 0 HA GLU A 56 -2.557 10.874 -7.705 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -5.177 10.362 -8.023 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -4.036 9.756 -9.207 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -4.521 7.623 -8.711 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -4.238 7.889 -7.002 1.00 10.00 H new ATOM 915 N HIS A 57 -3.701 9.951 -4.898 1.00 10.00 N ATOM 916 CA HIS A 57 -4.266 10.397 -3.624 1.00 10.00 C ATOM 917 C HIS A 57 -3.340 11.303 -2.811 1.00 10.00 C ATOM 918 O HIS A 57 -3.802 11.995 -1.897 1.00 10.00 O ATOM 919 CB HIS A 57 -4.659 9.182 -2.800 1.00 10.00 C ATOM 920 CG HIS A 57 -5.774 8.409 -3.414 1.00 10.00 C ATOM 921 ND1 HIS A 57 -7.006 8.948 -3.725 1.00 10.00 N ATOM 922 CD2 HIS A 57 -5.817 7.114 -3.804 1.00 10.00 C ATOM 923 CE1 HIS A 57 -7.745 7.980 -4.279 1.00 10.00 C ATOM 924 NE2 HIS A 57 -7.064 6.846 -4.355 1.00 10.00 N ATOM 0 H HIS A 57 -3.265 9.029 -4.867 1.00 10.00 H new ATOM 0 HA HIS A 57 -5.137 11.006 -3.865 1.00 10.00 H new ATOM 0 HB2 HIS A 57 -3.792 8.531 -2.683 1.00 10.00 H new ATOM 0 HB3 HIS A 57 -4.953 9.505 -1.801 1.00 10.00 H new ATOM 0 HD2 HIS A 57 -5.011 6.402 -3.703 1.00 10.00 H new ATOM 0 HE1 HIS A 57 -8.762 8.106 -4.619 1.00 10.00 H new ATOM 0 HE2 HIS A 57 -7.389 5.959 -4.739 1.00 10.00 H new ATOM 932 N PHE A 58 -2.060 11.316 -3.124 1.00 10.00 N ATOM 933 CA PHE A 58 -1.114 12.148 -2.388 1.00 10.00 C ATOM 934 C PHE A 58 -0.384 13.022 -3.352 1.00 10.00 C ATOM 935 O PHE A 58 -0.558 12.906 -4.561 1.00 10.00 O ATOM 936 CB PHE A 58 -0.088 11.323 -1.592 1.00 10.00 C ATOM 937 CG PHE A 58 -0.267 9.853 -1.673 1.00 10.00 C ATOM 938 CD1 PHE A 58 0.332 9.158 -2.691 1.00 10.00 C ATOM 939 CD2 PHE A 58 -1.012 9.170 -0.739 1.00 10.00 C ATOM 940 CE1 PHE A 58 0.198 7.800 -2.790 1.00 10.00 C ATOM 941 CE2 PHE A 58 -1.159 7.800 -0.825 1.00 10.00 C ATOM 942 CZ PHE A 58 -0.551 7.110 -1.853 1.00 10.00 C ATOM 0 H PHE A 58 -1.647 10.766 -3.877 1.00 10.00 H new ATOM 0 HA PHE A 58 -1.688 12.737 -1.672 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.911 11.572 -1.949 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.137 11.623 -0.545 1.00 10.00 H new ATOM 0 HD1 PHE A 58 0.918 9.690 -3.426 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -1.485 9.710 0.068 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.676 7.267 -3.599 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -1.748 7.271 -0.090 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.659 6.038 -1.926 1.00 10.00 H new ATOM 952 N THR A 59 0.425 13.902 -2.823 1.00 10.00 N ATOM 953 CA THR A 59 1.191 14.762 -3.663 1.00 10.00 C ATOM 954 C THR A 59 2.397 13.996 -4.131 1.00 10.00 C ATOM 955 O THR A 59 2.961 13.207 -3.374 1.00 10.00 O ATOM 956 CB THR A 59 1.620 16.022 -2.913 1.00 10.00 C ATOM 957 OG1 THR A 59 1.815 15.727 -1.522 1.00 10.00 O ATOM 958 CG2 THR A 59 0.558 17.086 -3.069 1.00 10.00 C ATOM 0 H THR A 59 0.565 14.036 -1.822 1.00 10.00 H new ATOM 0 HA THR A 59 0.588 15.081 -4.513 1.00 10.00 H new ATOM 0 HB THR A 59 2.560 16.384 -3.329 1.00 10.00 H new ATOM 0 HG1 THR A 59 2.091 16.541 -1.051 1.00 10.00 H new ATOM 0 HG21 THR A 59 0.863 17.986 -2.534 1.00 10.00 H new ATOM 0 HG22 THR A 59 0.428 17.319 -4.126 1.00 10.00 H new ATOM 0 HG23 THR A 59 -0.384 16.722 -2.659 1.00 10.00 H new ATOM 966 N PRO A 60 2.779 14.176 -5.392 1.00 10.00 N ATOM 967 CA PRO A 60 3.934 13.507 -5.988 1.00 10.00 C ATOM 968 C PRO A 60 5.175 13.606 -5.115 1.00 10.00 C ATOM 969 O PRO A 60 5.997 12.691 -5.053 1.00 10.00 O ATOM 970 CB PRO A 60 4.156 14.288 -7.293 1.00 10.00 C ATOM 971 CG PRO A 60 3.268 15.486 -7.191 1.00 10.00 C ATOM 972 CD PRO A 60 2.115 15.048 -6.363 1.00 10.00 C ATOM 0 HA PRO A 60 3.758 12.440 -6.125 1.00 10.00 H new ATOM 0 HB2 PRO A 60 5.200 14.581 -7.404 1.00 10.00 H new ATOM 0 HB3 PRO A 60 3.901 13.682 -8.162 1.00 10.00 H new ATOM 0 HG2 PRO A 60 3.789 16.324 -6.728 1.00 10.00 H new ATOM 0 HG3 PRO A 60 2.941 15.819 -8.176 1.00 10.00 H new ATOM 0 HD2 PRO A 60 1.609 15.887 -5.885 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.366 14.516 -6.949 1.00 10.00 H new ATOM 980 N ASP A 61 5.224 14.698 -4.376 1.00 10.00 N ATOM 981 CA ASP A 61 6.299 14.954 -3.430 1.00 10.00 C ATOM 982 C ASP A 61 6.369 13.812 -2.427 1.00 10.00 C ATOM 983 O ASP A 61 7.424 13.237 -2.175 1.00 10.00 O ATOM 984 CB ASP A 61 6.058 16.255 -2.658 1.00 10.00 C ATOM 985 CG ASP A 61 5.633 17.413 -3.535 1.00 10.00 C ATOM 986 OD1 ASP A 61 4.491 17.395 -4.042 1.00 10.00 O ATOM 987 OD2 ASP A 61 6.433 18.353 -3.700 1.00 10.00 O ATOM 0 H ASP A 61 4.520 15.435 -4.413 1.00 10.00 H new ATOM 0 HA ASP A 61 7.230 15.039 -3.991 1.00 10.00 H new ATOM 0 HB2 ASP A 61 5.291 16.082 -1.903 1.00 10.00 H new ATOM 0 HB3 ASP A 61 6.971 16.528 -2.129 1.00 10.00 H new ATOM 992 N SER A 62 5.204 13.497 -1.879 1.00 10.00 N ATOM 993 CA SER A 62 5.038 12.520 -0.812 1.00 10.00 C ATOM 994 C SER A 62 4.731 11.130 -1.311 1.00 10.00 C ATOM 995 O SER A 62 4.457 10.234 -0.523 1.00 10.00 O ATOM 996 CB SER A 62 3.866 12.948 0.061 1.00 10.00 C ATOM 997 OG SER A 62 4.073 12.571 1.416 1.00 10.00 O ATOM 0 H SER A 62 4.325 13.925 -2.172 1.00 10.00 H new ATOM 0 HA SER A 62 5.984 12.486 -0.272 1.00 10.00 H new ATOM 0 HB2 SER A 62 3.736 14.028 -0.003 1.00 10.00 H new ATOM 0 HB3 SER A 62 2.947 12.494 -0.310 1.00 10.00 H new ATOM 0 HG SER A 62 3.353 11.971 1.702 1.00 10.00 H new ATOM 1003 N PHE A 63 4.758 10.984 -2.621 1.00 10.00 N ATOM 1004 CA PHE A 63 4.492 9.703 -3.283 1.00 10.00 C ATOM 1005 C PHE A 63 5.006 8.477 -2.510 1.00 10.00 C ATOM 1006 O PHE A 63 4.222 7.568 -2.229 1.00 10.00 O ATOM 1007 CB PHE A 63 5.084 9.670 -4.697 1.00 10.00 C ATOM 1008 CG PHE A 63 4.128 10.044 -5.805 1.00 10.00 C ATOM 1009 CD1 PHE A 63 2.757 9.996 -5.615 1.00 10.00 C ATOM 1010 CD2 PHE A 63 4.609 10.446 -7.042 1.00 10.00 C ATOM 1011 CE1 PHE A 63 1.890 10.339 -6.624 1.00 10.00 C ATOM 1012 CE2 PHE A 63 3.740 10.794 -8.062 1.00 10.00 C ATOM 1013 CZ PHE A 63 2.376 10.741 -7.851 1.00 10.00 C ATOM 0 H PHE A 63 4.965 11.747 -3.266 1.00 10.00 H new ATOM 0 HA PHE A 63 3.405 9.637 -3.322 1.00 10.00 H new ATOM 0 HB2 PHE A 63 5.938 10.347 -4.732 1.00 10.00 H new ATOM 0 HB3 PHE A 63 5.465 8.667 -4.891 1.00 10.00 H new ATOM 0 HD1 PHE A 63 2.363 9.684 -4.659 1.00 10.00 H new ATOM 0 HD2 PHE A 63 5.675 10.488 -7.212 1.00 10.00 H new ATOM 0 HE1 PHE A 63 0.824 10.294 -6.456 1.00 10.00 H new ATOM 0 HE2 PHE A 63 4.128 11.106 -9.020 1.00 10.00 H new ATOM 0 HZ PHE A 63 1.693 11.013 -8.643 1.00 10.00 H new ATOM 1023 N LYS A 64 6.304 8.439 -2.155 1.00 10.00 N ATOM 1024 CA LYS A 64 6.854 7.269 -1.446 1.00 10.00 C ATOM 1025 C LYS A 64 8.323 7.456 -1.063 1.00 10.00 C ATOM 1026 O LYS A 64 8.722 8.539 -0.655 1.00 10.00 O ATOM 1027 CB LYS A 64 6.682 6.001 -2.290 1.00 10.00 C ATOM 1028 CG LYS A 64 7.147 6.142 -3.729 1.00 10.00 C ATOM 1029 CD LYS A 64 6.412 5.174 -4.638 1.00 10.00 C ATOM 1030 CE LYS A 64 7.092 5.044 -5.987 1.00 10.00 C ATOM 1031 NZ LYS A 64 8.385 4.317 -5.892 1.00 10.00 N ATOM 0 H LYS A 64 6.976 9.184 -2.341 1.00 10.00 H new ATOM 0 HA LYS A 64 6.290 7.164 -0.519 1.00 10.00 H new ATOM 0 HB2 LYS A 64 7.234 5.188 -1.820 1.00 10.00 H new ATOM 0 HB3 LYS A 64 5.630 5.716 -2.286 1.00 10.00 H new ATOM 0 HG2 LYS A 64 6.980 7.164 -4.070 1.00 10.00 H new ATOM 0 HG3 LYS A 64 8.220 5.958 -3.788 1.00 10.00 H new ATOM 0 HD2 LYS A 64 6.360 4.195 -4.161 1.00 10.00 H new ATOM 0 HD3 LYS A 64 5.386 5.515 -4.779 1.00 10.00 H new ATOM 0 HE2 LYS A 64 6.431 4.519 -6.677 1.00 10.00 H new ATOM 0 HE3 LYS A 64 7.264 6.037 -6.403 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 8.880 4.368 -6.805 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 8.975 4.752 -5.154 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 8.207 3.321 -5.650 1.00 10.00 H new ATOM 1045 N ARG A 65 9.129 6.397 -1.236 1.00 10.00 N ATOM 1046 CA ARG A 65 10.552 6.408 -0.872 1.00 10.00 C ATOM 1047 C ARG A 65 11.356 7.421 -1.679 1.00 10.00 C ATOM 1048 O ARG A 65 12.485 7.749 -1.322 1.00 10.00 O ATOM 1049 CB ARG A 65 11.164 5.004 -1.013 1.00 10.00 C ATOM 1050 CG ARG A 65 10.783 4.265 -2.287 1.00 10.00 C ATOM 1051 CD ARG A 65 10.957 2.767 -2.119 1.00 10.00 C ATOM 1052 NE ARG A 65 12.302 2.305 -2.488 1.00 10.00 N ATOM 1053 CZ ARG A 65 12.890 1.212 -1.978 1.00 10.00 C ATOM 1054 NH1 ARG A 65 12.287 0.503 -1.027 1.00 10.00 N ATOM 1055 NH2 ARG A 65 14.088 0.834 -2.422 1.00 10.00 N ATOM 0 H ARG A 65 8.812 5.512 -1.631 1.00 10.00 H new ATOM 0 HA ARG A 65 10.604 6.715 0.172 1.00 10.00 H new ATOM 0 HB2 ARG A 65 12.250 5.091 -0.971 1.00 10.00 H new ATOM 0 HB3 ARG A 65 10.859 4.403 -0.156 1.00 10.00 H new ATOM 0 HG2 ARG A 65 9.748 4.488 -2.545 1.00 10.00 H new ATOM 0 HG3 ARG A 65 11.400 4.616 -3.114 1.00 10.00 H new ATOM 0 HD2 ARG A 65 10.757 2.497 -1.082 1.00 10.00 H new ATOM 0 HD3 ARG A 65 10.219 2.249 -2.732 1.00 10.00 H new ATOM 0 HE ARG A 65 12.822 2.850 -3.176 1.00 10.00 H new ATOM 0 HH11 ARG A 65 11.371 0.789 -0.681 1.00 10.00 H new ATOM 0 HH12 ARG A 65 12.740 -0.327 -0.644 1.00 10.00 H new ATOM 0 HH21 ARG A 65 14.557 1.375 -3.148 1.00 10.00 H new ATOM 0 HH22 ARG A 65 14.536 0.003 -2.035 1.00 10.00 H new ATOM 1069 N GLU A 66 10.772 7.921 -2.753 1.00 10.00 N ATOM 1070 CA GLU A 66 11.437 8.908 -3.581 1.00 10.00 C ATOM 1071 C GLU A 66 11.182 10.312 -3.027 1.00 10.00 C ATOM 1072 O GLU A 66 11.533 11.312 -3.652 1.00 10.00 O ATOM 1073 CB GLU A 66 11.020 8.791 -5.059 1.00 10.00 C ATOM 1074 CG GLU A 66 11.644 7.594 -5.759 1.00 10.00 C ATOM 1075 CD GLU A 66 10.712 6.401 -5.821 1.00 10.00 C ATOM 1076 OE1 GLU A 66 10.135 6.023 -4.780 1.00 10.00 O ATOM 1077 OE2 GLU A 66 10.542 5.834 -6.915 1.00 10.00 O ATOM 0 H GLU A 66 9.839 7.659 -3.071 1.00 10.00 H new ATOM 0 HA GLU A 66 12.509 8.716 -3.549 1.00 10.00 H new ATOM 0 HB2 GLU A 66 9.934 8.715 -5.120 1.00 10.00 H new ATOM 0 HB3 GLU A 66 11.306 9.702 -5.585 1.00 10.00 H new ATOM 0 HG2 GLU A 66 11.930 7.879 -6.771 1.00 10.00 H new ATOM 0 HG3 GLU A 66 12.558 7.309 -5.238 1.00 10.00 H new ATOM 1084 N SER A 67 10.545 10.373 -1.854 1.00 10.00 N ATOM 1085 CA SER A 67 10.234 11.636 -1.196 1.00 10.00 C ATOM 1086 C SER A 67 11.518 12.363 -0.738 1.00 10.00 C ATOM 1087 O SER A 67 12.207 13.002 -1.539 1.00 10.00 O ATOM 1088 CB SER A 67 9.271 11.354 -0.019 1.00 10.00 C ATOM 1089 OG SER A 67 9.320 12.336 0.994 1.00 10.00 O ATOM 0 H SER A 67 10.233 9.549 -1.339 1.00 10.00 H new ATOM 0 HA SER A 67 9.744 12.308 -1.900 1.00 10.00 H new ATOM 0 HB2 SER A 67 8.252 11.287 -0.401 1.00 10.00 H new ATOM 0 HB3 SER A 67 9.513 10.384 0.414 1.00 10.00 H new ATOM 0 HG SER A 67 9.538 11.912 1.850 1.00 10.00 H new ATOM 1095 N ASN A 68 11.821 12.279 0.545 1.00 10.00 N ATOM 1096 CA ASN A 68 12.999 12.930 1.101 1.00 10.00 C ATOM 1097 C ASN A 68 14.125 11.937 1.319 1.00 10.00 C ATOM 1098 O ASN A 68 15.133 11.969 0.619 1.00 10.00 O ATOM 1099 CB ASN A 68 12.648 13.630 2.417 1.00 10.00 C ATOM 1100 CG ASN A 68 12.294 15.089 2.221 1.00 10.00 C ATOM 1101 OD1 ASN A 68 11.771 15.475 1.178 1.00 10.00 O ATOM 1102 ND2 ASN A 68 12.565 15.905 3.223 1.00 10.00 N ATOM 0 H ASN A 68 11.265 11.763 1.227 1.00 10.00 H new ATOM 0 HA ASN A 68 13.341 13.675 0.383 1.00 10.00 H new ATOM 0 HB2 ASN A 68 11.809 13.116 2.886 1.00 10.00 H new ATOM 0 HB3 ASN A 68 13.492 13.553 3.102 1.00 10.00 H new ATOM 0 HD21 ASN A 68 12.339 16.897 3.148 1.00 10.00 H new ATOM 0 HD22 ASN A 68 13.000 15.543 4.072 1.00 10.00 H new ATOM 1109 N ASN A 69 13.949 11.046 2.285 1.00 10.00 N ATOM 1110 CA ASN A 69 14.981 10.062 2.586 1.00 10.00 C ATOM 1111 C ASN A 69 14.640 8.693 2.018 1.00 10.00 C ATOM 1112 O ASN A 69 15.282 8.234 1.073 1.00 10.00 O ATOM 1113 CB ASN A 69 15.220 9.955 4.097 1.00 10.00 C ATOM 1114 CG ASN A 69 16.356 9.003 4.435 1.00 10.00 C ATOM 1115 OD1 ASN A 69 17.520 9.283 4.155 1.00 10.00 O ATOM 1116 ND2 ASN A 69 16.023 7.878 5.051 1.00 10.00 N ATOM 0 H ASN A 69 13.114 10.983 2.867 1.00 10.00 H new ATOM 0 HA ASN A 69 15.897 10.410 2.108 1.00 10.00 H new ATOM 0 HB2 ASN A 69 15.446 10.943 4.498 1.00 10.00 H new ATOM 0 HB3 ASN A 69 14.306 9.614 4.584 1.00 10.00 H new ATOM 0 HD21 ASN A 69 16.745 7.206 5.311 1.00 10.00 H new ATOM 0 HD22 ASN A 69 15.045 7.684 5.265 1.00 10.00 H new ATOM 1123 N LYS A 70 13.644 8.033 2.599 1.00 10.00 N ATOM 1124 CA LYS A 70 13.260 6.706 2.136 1.00 10.00 C ATOM 1125 C LYS A 70 11.750 6.457 2.261 1.00 10.00 C ATOM 1126 O LYS A 70 11.277 5.360 1.981 1.00 10.00 O ATOM 1127 CB LYS A 70 14.048 5.636 2.898 1.00 10.00 C ATOM 1128 CG LYS A 70 14.313 4.374 2.093 1.00 10.00 C ATOM 1129 CD LYS A 70 15.458 4.568 1.103 1.00 10.00 C ATOM 1130 CE LYS A 70 16.811 4.569 1.799 1.00 10.00 C ATOM 1131 NZ LYS A 70 17.624 3.372 1.443 1.00 10.00 N ATOM 0 H LYS A 70 13.095 8.390 3.381 1.00 10.00 H new ATOM 0 HA LYS A 70 13.503 6.647 1.075 1.00 10.00 H new ATOM 0 HB2 LYS A 70 15.001 6.059 3.216 1.00 10.00 H new ATOM 0 HB3 LYS A 70 13.500 5.370 3.802 1.00 10.00 H new ATOM 0 HG2 LYS A 70 14.552 3.554 2.770 1.00 10.00 H new ATOM 0 HG3 LYS A 70 13.409 4.090 1.554 1.00 10.00 H new ATOM 0 HD2 LYS A 70 15.433 3.773 0.358 1.00 10.00 H new ATOM 0 HD3 LYS A 70 15.322 5.509 0.570 1.00 10.00 H new ATOM 0 HE2 LYS A 70 17.358 5.472 1.527 1.00 10.00 H new ATOM 0 HE3 LYS A 70 16.663 4.599 2.879 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 18.537 3.413 1.939 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 17.115 2.510 1.725 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 17.788 3.357 0.416 1.00 10.00 H new ATOM 1145 N LEU A 71 10.999 7.460 2.698 1.00 10.00 N ATOM 1146 CA LEU A 71 9.549 7.314 2.842 1.00 10.00 C ATOM 1147 C LEU A 71 8.867 8.637 2.479 1.00 10.00 C ATOM 1148 O LEU A 71 9.543 9.522 1.977 1.00 10.00 O ATOM 1149 CB LEU A 71 9.206 6.877 4.273 1.00 10.00 C ATOM 1150 CG LEU A 71 8.151 5.771 4.387 1.00 10.00 C ATOM 1151 CD1 LEU A 71 6.990 6.241 5.238 1.00 10.00 C ATOM 1152 CD2 LEU A 71 7.653 5.347 3.014 1.00 10.00 C ATOM 0 H LEU A 71 11.362 8.377 2.958 1.00 10.00 H new ATOM 0 HA LEU A 71 9.184 6.543 2.164 1.00 10.00 H new ATOM 0 HB2 LEU A 71 10.120 6.536 4.760 1.00 10.00 H new ATOM 0 HB3 LEU A 71 8.856 7.748 4.827 1.00 10.00 H new ATOM 0 HG LEU A 71 8.616 4.908 4.863 1.00 10.00 H new ATOM 0 HD11 LEU A 71 6.247 5.446 5.311 1.00 10.00 H new ATOM 0 HD12 LEU A 71 7.349 6.495 6.235 1.00 10.00 H new ATOM 0 HD13 LEU A 71 6.536 7.120 4.781 1.00 10.00 H new ATOM 0 HD21 LEU A 71 6.906 4.561 3.125 1.00 10.00 H new ATOM 0 HD22 LEU A 71 7.207 6.203 2.508 1.00 10.00 H new ATOM 0 HD23 LEU A 71 8.489 4.972 2.424 1.00 10.00 H new ATOM 1164 N LEU A 72 7.559 8.791 2.802 1.00 10.00 N ATOM 1165 CA LEU A 72 6.788 9.996 2.414 1.00 10.00 C ATOM 1166 C LEU A 72 7.362 11.227 3.089 1.00 10.00 C ATOM 1167 O LEU A 72 8.383 11.193 3.776 1.00 10.00 O ATOM 1168 CB LEU A 72 5.295 9.833 2.721 1.00 10.00 C ATOM 1169 CG LEU A 72 4.647 8.568 2.143 1.00 10.00 C ATOM 1170 CD1 LEU A 72 4.731 7.417 3.118 1.00 10.00 C ATOM 1171 CD2 LEU A 72 3.202 8.816 1.785 1.00 10.00 C ATOM 0 H LEU A 72 7.020 8.101 3.326 1.00 10.00 H new ATOM 0 HA LEU A 72 6.878 10.124 1.335 1.00 10.00 H new ATOM 0 HB2 LEU A 72 5.160 9.830 3.803 1.00 10.00 H new ATOM 0 HB3 LEU A 72 4.763 10.703 2.336 1.00 10.00 H new ATOM 0 HG LEU A 72 5.199 8.307 1.240 1.00 10.00 H new ATOM 0 HD11 LEU A 72 4.264 6.535 2.681 1.00 10.00 H new ATOM 0 HD12 LEU A 72 5.777 7.202 3.338 1.00 10.00 H new ATOM 0 HD13 LEU A 72 4.213 7.682 4.040 1.00 10.00 H new ATOM 0 HD21 LEU A 72 2.766 7.904 1.378 1.00 10.00 H new ATOM 0 HD22 LEU A 72 2.652 9.114 2.678 1.00 10.00 H new ATOM 0 HD23 LEU A 72 3.143 9.610 1.041 1.00 10.00 H new ATOM 1183 N LYS A 73 6.654 12.335 2.897 1.00 10.00 N ATOM 1184 CA LYS A 73 6.954 13.550 3.627 1.00 10.00 C ATOM 1185 C LYS A 73 6.125 13.429 4.902 1.00 10.00 C ATOM 1186 O LYS A 73 4.908 13.503 4.834 1.00 10.00 O ATOM 1187 CB LYS A 73 6.580 14.881 2.926 1.00 10.00 C ATOM 1188 CG LYS A 73 6.248 14.818 1.445 1.00 10.00 C ATOM 1189 CD LYS A 73 7.434 14.424 0.586 1.00 10.00 C ATOM 1190 CE LYS A 73 8.645 15.319 0.781 1.00 10.00 C ATOM 1191 NZ LYS A 73 9.046 16.022 -0.471 1.00 10.00 N ATOM 0 H LYS A 73 5.874 12.412 2.245 1.00 10.00 H new ATOM 0 HA LYS A 73 8.034 13.615 3.758 1.00 10.00 H new ATOM 0 HB2 LYS A 73 5.722 15.307 3.446 1.00 10.00 H new ATOM 0 HB3 LYS A 73 7.409 15.576 3.057 1.00 10.00 H new ATOM 0 HG2 LYS A 73 5.441 14.102 1.290 1.00 10.00 H new ATOM 0 HG3 LYS A 73 5.879 15.791 1.120 1.00 10.00 H new ATOM 0 HD2 LYS A 73 7.712 13.395 0.814 1.00 10.00 H new ATOM 0 HD3 LYS A 73 7.138 14.450 -0.463 1.00 10.00 H new ATOM 0 HE2 LYS A 73 8.426 16.056 1.553 1.00 10.00 H new ATOM 0 HE3 LYS A 73 9.481 14.719 1.140 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 10.049 16.292 -0.412 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 8.906 15.389 -1.285 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 8.464 16.875 -0.592 1.00 10.00 H new ATOM 1205 N GLU A 74 6.760 13.150 6.016 1.00 10.00 N ATOM 1206 CA GLU A 74 6.072 12.960 7.310 1.00 10.00 C ATOM 1207 C GLU A 74 5.067 14.054 7.716 1.00 10.00 C ATOM 1208 O GLU A 74 4.348 13.925 8.705 1.00 10.00 O ATOM 1209 CB GLU A 74 7.110 12.854 8.404 1.00 10.00 C ATOM 1210 CG GLU A 74 7.561 14.200 8.950 1.00 10.00 C ATOM 1211 CD GLU A 74 8.647 14.847 8.115 1.00 10.00 C ATOM 1212 OE1 GLU A 74 9.821 14.443 8.249 1.00 10.00 O ATOM 1213 OE2 GLU A 74 8.335 15.770 7.333 1.00 10.00 O ATOM 0 H GLU A 74 7.773 13.044 6.070 1.00 10.00 H new ATOM 0 HA GLU A 74 5.482 12.053 7.178 1.00 10.00 H new ATOM 0 HB2 GLU A 74 6.704 12.258 9.221 1.00 10.00 H new ATOM 0 HB3 GLU A 74 7.978 12.319 8.019 1.00 10.00 H new ATOM 0 HG2 GLU A 74 6.703 14.870 9.002 1.00 10.00 H new ATOM 0 HG3 GLU A 74 7.925 14.069 9.969 1.00 10.00 H new ATOM 1220 N ASN A 75 5.029 15.111 6.946 1.00 10.00 N ATOM 1221 CA ASN A 75 4.079 16.197 7.157 1.00 10.00 C ATOM 1222 C ASN A 75 3.000 16.206 6.060 1.00 10.00 C ATOM 1223 O ASN A 75 2.283 17.189 5.884 1.00 10.00 O ATOM 1224 CB ASN A 75 4.806 17.533 7.176 1.00 10.00 C ATOM 1225 CG ASN A 75 4.944 18.101 8.574 1.00 10.00 C ATOM 1226 OD1 ASN A 75 5.052 19.313 8.755 1.00 10.00 O ATOM 1227 ND2 ASN A 75 4.954 17.230 9.568 1.00 10.00 N ATOM 0 H ASN A 75 5.653 15.253 6.151 1.00 10.00 H new ATOM 0 HA ASN A 75 3.592 16.038 8.119 1.00 10.00 H new ATOM 0 HB2 ASN A 75 5.797 17.410 6.738 1.00 10.00 H new ATOM 0 HB3 ASN A 75 4.267 18.245 6.550 1.00 10.00 H new ATOM 0 HD21 ASN A 75 5.054 17.555 10.530 1.00 10.00 H new ATOM 0 HD22 ASN A 75 4.862 16.233 9.373 1.00 10.00 H new ATOM 1234 N ALA A 76 2.896 15.097 5.337 1.00 10.00 N ATOM 1235 CA ALA A 76 1.938 14.928 4.234 1.00 10.00 C ATOM 1236 C ALA A 76 1.313 13.547 4.299 1.00 10.00 C ATOM 1237 O ALA A 76 1.929 12.537 4.631 1.00 10.00 O ATOM 1238 CB ALA A 76 2.651 15.069 2.889 1.00 10.00 C ATOM 0 H ALA A 76 3.479 14.275 5.497 1.00 10.00 H new ATOM 0 HA ALA A 76 1.169 15.694 4.329 1.00 10.00 H new ATOM 0 HB1 ALA A 76 1.931 14.942 2.080 1.00 10.00 H new ATOM 0 HB2 ALA A 76 3.104 16.058 2.819 1.00 10.00 H new ATOM 0 HB3 ALA A 76 3.427 14.308 2.807 1.00 10.00 H new ATOM 1244 N VAL A 77 0.030 13.592 3.929 1.00 10.00 N ATOM 1245 CA VAL A 77 -0.900 12.469 3.917 1.00 10.00 C ATOM 1246 C VAL A 77 -1.891 12.661 2.756 1.00 10.00 C ATOM 1247 O VAL A 77 -2.163 13.803 2.369 1.00 10.00 O ATOM 1248 CB VAL A 77 -1.668 12.436 5.284 1.00 10.00 C ATOM 1249 CG1 VAL A 77 -1.724 13.826 5.907 1.00 10.00 C ATOM 1250 CG2 VAL A 77 -3.089 11.898 5.155 1.00 10.00 C ATOM 0 H VAL A 77 -0.406 14.459 3.614 1.00 10.00 H new ATOM 0 HA VAL A 77 -0.366 11.528 3.782 1.00 10.00 H new ATOM 0 HB VAL A 77 -1.107 11.756 5.925 1.00 10.00 H new ATOM 0 HG11 VAL A 77 -2.261 13.779 6.854 1.00 10.00 H new ATOM 0 HG12 VAL A 77 -0.711 14.187 6.082 1.00 10.00 H new ATOM 0 HG13 VAL A 77 -2.240 14.507 5.231 1.00 10.00 H new ATOM 0 HG21 VAL A 77 -3.569 11.900 6.134 1.00 10.00 H new ATOM 0 HG22 VAL A 77 -3.656 12.530 4.471 1.00 10.00 H new ATOM 0 HG23 VAL A 77 -3.059 10.880 4.768 1.00 10.00 H new ATOM 1260 N PRO A 78 -2.389 11.556 2.147 1.00 10.00 N ATOM 1261 CA PRO A 78 -3.377 11.602 1.063 1.00 10.00 C ATOM 1262 C PRO A 78 -4.452 12.595 1.447 1.00 10.00 C ATOM 1263 O PRO A 78 -5.146 12.453 2.448 1.00 10.00 O ATOM 1264 CB PRO A 78 -3.920 10.166 0.984 1.00 10.00 C ATOM 1265 CG PRO A 78 -3.247 9.407 2.073 1.00 10.00 C ATOM 1266 CD PRO A 78 -2.028 10.195 2.478 1.00 10.00 C ATOM 0 HA PRO A 78 -2.977 11.918 0.100 1.00 10.00 H new ATOM 0 HB2 PRO A 78 -5.002 10.152 1.111 1.00 10.00 H new ATOM 0 HB3 PRO A 78 -3.707 9.722 0.011 1.00 10.00 H new ATOM 0 HG2 PRO A 78 -3.919 9.274 2.921 1.00 10.00 H new ATOM 0 HG3 PRO A 78 -2.965 8.411 1.731 1.00 10.00 H new ATOM 0 HD2 PRO A 78 -1.811 10.083 3.540 1.00 10.00 H new ATOM 0 HD3 PRO A 78 -1.140 9.871 1.935 1.00 10.00 H new ATOM 1274 N THR A 79 -4.583 13.588 0.597 1.00 10.00 N ATOM 1275 CA THR A 79 -5.560 14.636 0.755 1.00 10.00 C ATOM 1276 C THR A 79 -6.439 14.716 -0.493 1.00 10.00 C ATOM 1277 O THR A 79 -7.451 15.404 -0.514 1.00 10.00 O ATOM 1278 CB THR A 79 -4.872 15.982 1.030 1.00 10.00 C ATOM 1279 OG1 THR A 79 -5.786 16.889 1.671 1.00 10.00 O ATOM 1280 CG2 THR A 79 -4.328 16.612 -0.248 1.00 10.00 C ATOM 0 H THR A 79 -4.003 13.690 -0.236 1.00 10.00 H new ATOM 0 HA THR A 79 -6.192 14.405 1.613 1.00 10.00 H new ATOM 0 HB THR A 79 -4.029 15.788 1.693 1.00 10.00 H new ATOM 0 HG1 THR A 79 -5.335 17.742 1.842 1.00 10.00 H new ATOM 0 HG21 THR A 79 -3.849 17.562 -0.010 1.00 10.00 H new ATOM 0 HG22 THR A 79 -3.598 15.942 -0.702 1.00 10.00 H new ATOM 0 HG23 THR A 79 -5.147 16.783 -0.946 1.00 10.00 H new ATOM 1288 N ILE A 80 -6.030 13.996 -1.539 1.00 10.00 N ATOM 1289 CA ILE A 80 -6.725 14.014 -2.832 1.00 10.00 C ATOM 1290 C ILE A 80 -7.737 12.862 -2.948 1.00 10.00 C ATOM 1291 O ILE A 80 -8.296 12.633 -4.017 1.00 10.00 O ATOM 1292 CB ILE A 80 -5.724 13.875 -4.005 1.00 10.00 C ATOM 1293 CG1 ILE A 80 -4.389 14.566 -3.682 1.00 10.00 C ATOM 1294 CG2 ILE A 80 -6.330 14.427 -5.290 1.00 10.00 C ATOM 1295 CD1 ILE A 80 -4.341 16.033 -4.043 1.00 10.00 C ATOM 0 H ILE A 80 -5.212 13.386 -1.517 1.00 10.00 H new ATOM 0 HA ILE A 80 -7.244 14.971 -2.886 1.00 10.00 H new ATOM 0 HB ILE A 80 -5.517 12.815 -4.152 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -4.188 14.460 -2.616 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -3.589 14.048 -4.211 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -5.614 14.322 -6.105 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -7.238 13.874 -5.531 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -6.573 15.481 -5.154 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -3.364 16.440 -3.781 1.00 10.00 H new ATOM 0 HD12 ILE A 80 -4.508 16.150 -5.114 1.00 10.00 H new ATOM 0 HD13 ILE A 80 -5.116 16.568 -3.495 1.00 10.00 H new ATOM 1307 N PHE A 81 -7.940 12.125 -1.855 1.00 10.00 N ATOM 1308 CA PHE A 81 -8.851 10.966 -1.842 1.00 10.00 C ATOM 1309 C PHE A 81 -10.142 11.188 -2.635 1.00 10.00 C ATOM 1310 O PHE A 81 -10.499 10.350 -3.460 1.00 10.00 O ATOM 1311 CB PHE A 81 -9.217 10.571 -0.407 1.00 10.00 C ATOM 1312 CG PHE A 81 -8.259 9.612 0.262 1.00 10.00 C ATOM 1313 CD1 PHE A 81 -7.343 8.868 -0.467 1.00 10.00 C ATOM 1314 CD2 PHE A 81 -8.294 9.447 1.633 1.00 10.00 C ATOM 1315 CE1 PHE A 81 -6.485 7.986 0.158 1.00 10.00 C ATOM 1316 CE2 PHE A 81 -7.440 8.564 2.266 1.00 10.00 C ATOM 1317 CZ PHE A 81 -6.535 7.833 1.526 1.00 10.00 C ATOM 0 H PHE A 81 -7.486 12.307 -0.960 1.00 10.00 H new ATOM 0 HA PHE A 81 -8.298 10.163 -2.330 1.00 10.00 H new ATOM 0 HB2 PHE A 81 -9.280 11.476 0.197 1.00 10.00 H new ATOM 0 HB3 PHE A 81 -10.210 10.122 -0.413 1.00 10.00 H new ATOM 0 HD1 PHE A 81 -7.301 8.981 -1.540 1.00 10.00 H new ATOM 0 HD2 PHE A 81 -9.000 10.017 2.219 1.00 10.00 H new ATOM 0 HE1 PHE A 81 -5.776 7.417 -0.424 1.00 10.00 H new ATOM 0 HE2 PHE A 81 -7.481 8.447 3.339 1.00 10.00 H new ATOM 0 HZ PHE A 81 -5.867 7.142 2.018 1.00 10.00 H new ATOM 1327 N LEU A 82 -10.831 12.296 -2.382 1.00 10.00 N ATOM 1328 CA LEU A 82 -12.084 12.596 -3.074 1.00 10.00 C ATOM 1329 C LEU A 82 -12.516 14.026 -2.800 1.00 10.00 C ATOM 1330 O LEU A 82 -12.076 14.638 -1.827 1.00 10.00 O ATOM 1331 CB LEU A 82 -13.196 11.651 -2.603 1.00 10.00 C ATOM 1332 CG LEU A 82 -13.735 10.625 -3.618 1.00 10.00 C ATOM 1333 CD1 LEU A 82 -15.244 10.748 -3.719 1.00 10.00 C ATOM 1334 CD2 LEU A 82 -13.106 10.772 -5.002 1.00 10.00 C ATOM 0 H LEU A 82 -10.545 13.002 -1.704 1.00 10.00 H new ATOM 0 HA LEU A 82 -11.914 12.462 -4.142 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -12.827 11.104 -1.735 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -14.034 12.260 -2.263 1.00 10.00 H new ATOM 0 HG LEU A 82 -13.462 9.636 -3.250 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -15.621 10.021 -4.438 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -15.691 10.559 -2.743 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -15.506 11.753 -4.049 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -13.525 10.023 -5.674 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -13.316 11.768 -5.393 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -12.028 10.631 -4.928 1.00 10.00 H new