USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 473 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 14 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 28 HIS : no HD1:sc= -0.868 K(o=-0.87,f=-7.4!) USER MOD Single : A 2 LYS NZ :NH3+ -165:sc= -0.0483 (180deg=-0.46) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc=-0.00644 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.0105 K(o=-0.011,f=-1.8!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot -75:sc= 1.05 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0985) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.303 USER MOD Single : A 46 MET CE :methyl 173:sc= 0 (180deg=-0.16) USER MOD Single : A 48 HIS : no HD1:sc= -2.9 K(o=-2.9,f=-1.2) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 10.787 0.518 -0.816 1.00 0.00 N ATOM 21 CA LYS A 2 9.806 1.644 -0.793 1.00 0.00 C ATOM 22 C LYS A 2 9.519 2.113 -2.221 1.00 0.00 C ATOM 23 O LYS A 2 10.330 1.954 -3.112 1.00 0.00 O ATOM 24 CB LYS A 2 10.380 2.800 0.034 1.00 0.00 C ATOM 25 CG LYS A 2 11.625 3.374 -0.648 1.00 0.00 C ATOM 26 CD LYS A 2 12.235 4.453 0.248 1.00 0.00 C ATOM 27 CE LYS A 2 13.382 5.144 -0.491 1.00 0.00 C ATOM 28 NZ LYS A 2 14.432 4.142 -0.829 1.00 0.00 N ATOM 0 HA LYS A 2 8.874 1.305 -0.341 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.628 3.581 0.151 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.634 2.450 1.034 1.00 0.00 H new ATOM 0 HG2 LYS A 2 12.352 2.583 -0.831 1.00 0.00 H new ATOM 0 HG3 LYS A 2 11.362 3.796 -1.618 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.475 5.183 0.524 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.601 4.008 1.173 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.010 5.617 -1.400 1.00 0.00 H new ATOM 0 HE3 LYS A 2 13.805 5.934 0.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 15.309 4.634 -1.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 14.612 3.536 -0.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 14.109 3.555 -1.625 1.00 0.00 H new ATOM 42 N GLY A 3 8.370 2.691 -2.444 1.00 0.00 N ATOM 43 CA GLY A 3 8.034 3.170 -3.811 1.00 0.00 C ATOM 44 C GLY A 3 6.876 4.165 -3.731 1.00 0.00 C ATOM 45 O GLY A 3 6.727 4.870 -2.753 1.00 0.00 O ATOM 0 H GLY A 3 7.651 2.851 -1.738 1.00 0.00 H new ATOM 0 HA2 GLY A 3 8.904 3.644 -4.266 1.00 0.00 H new ATOM 0 HA3 GLY A 3 7.761 2.328 -4.446 1.00 0.00 H new ATOM 49 N LYS A 4 6.055 4.224 -4.754 1.00 0.00 N ATOM 50 CA LYS A 4 4.897 5.173 -4.750 1.00 0.00 C ATOM 51 C LYS A 4 3.618 4.425 -5.116 1.00 0.00 C ATOM 52 O LYS A 4 3.615 3.546 -5.953 1.00 0.00 O ATOM 53 CB LYS A 4 5.143 6.272 -5.781 1.00 0.00 C ATOM 54 CG LYS A 4 6.294 7.160 -5.315 1.00 0.00 C ATOM 55 CD LYS A 4 6.531 8.268 -6.341 1.00 0.00 C ATOM 56 CE LYS A 4 7.675 9.166 -5.868 1.00 0.00 C ATOM 57 NZ LYS A 4 7.892 10.259 -6.859 1.00 0.00 N ATOM 0 H LYS A 4 6.139 3.653 -5.595 1.00 0.00 H new ATOM 0 HA LYS A 4 4.793 5.610 -3.757 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.379 5.831 -6.749 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.241 6.869 -5.914 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.062 7.594 -4.342 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.199 6.565 -5.191 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.773 7.834 -7.311 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.623 8.857 -6.472 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.440 9.588 -4.891 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.587 8.580 -5.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.670 10.870 -6.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.134 9.847 -7.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.023 10.824 -6.949 1.00 0.00 H new ATOM 71 N VAL A 5 2.528 4.773 -4.490 1.00 0.00 N ATOM 72 CA VAL A 5 1.241 4.088 -4.796 1.00 0.00 C ATOM 73 C VAL A 5 0.616 4.708 -6.050 1.00 0.00 C ATOM 74 O VAL A 5 0.122 5.817 -6.033 1.00 0.00 O ATOM 75 CB VAL A 5 0.295 4.225 -3.596 1.00 0.00 C ATOM 76 CG1 VAL A 5 0.113 5.702 -3.222 1.00 0.00 C ATOM 77 CG2 VAL A 5 -1.066 3.610 -3.938 1.00 0.00 C ATOM 0 H VAL A 5 2.473 5.503 -3.779 1.00 0.00 H new ATOM 0 HA VAL A 5 1.419 3.029 -4.984 1.00 0.00 H new ATOM 0 HB VAL A 5 0.730 3.699 -2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.561 5.781 -2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.080 6.133 -2.962 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.309 6.242 -4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.735 3.709 -3.083 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.494 4.128 -4.796 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.938 2.554 -4.178 1.00 0.00 H new ATOM 87 N VAL A 6 0.652 3.999 -7.147 1.00 0.00 N ATOM 88 CA VAL A 6 0.073 4.542 -8.405 1.00 0.00 C ATOM 89 C VAL A 6 -1.451 4.448 -8.358 1.00 0.00 C ATOM 90 O VAL A 6 -2.145 5.324 -8.834 1.00 0.00 O ATOM 91 CB VAL A 6 0.605 3.742 -9.595 1.00 0.00 C ATOM 92 CG1 VAL A 6 0.182 2.279 -9.458 1.00 0.00 C ATOM 93 CG2 VAL A 6 0.038 4.313 -10.896 1.00 0.00 C ATOM 0 H VAL A 6 1.058 3.067 -7.224 1.00 0.00 H new ATOM 0 HA VAL A 6 0.360 5.588 -8.513 1.00 0.00 H new ATOM 0 HB VAL A 6 1.693 3.808 -9.614 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.561 1.710 -10.306 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.588 1.868 -8.534 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.906 2.215 -9.436 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.419 3.740 -11.741 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.050 4.251 -10.877 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.340 5.355 -10.998 1.00 0.00 H new ATOM 103 N SER A 7 -1.986 3.396 -7.791 1.00 0.00 N ATOM 104 CA SER A 7 -3.471 3.271 -7.731 1.00 0.00 C ATOM 105 C SER A 7 -3.893 2.521 -6.471 1.00 0.00 C ATOM 106 O SER A 7 -3.220 1.620 -6.009 1.00 0.00 O ATOM 107 CB SER A 7 -3.967 2.506 -8.957 1.00 0.00 C ATOM 108 OG SER A 7 -3.650 3.242 -10.133 1.00 0.00 O ATOM 0 H SER A 7 -1.464 2.627 -7.372 1.00 0.00 H new ATOM 0 HA SER A 7 -3.905 4.271 -7.712 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.504 1.520 -8.996 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.044 2.350 -8.891 1.00 0.00 H new ATOM 0 HG SER A 7 -3.966 2.752 -10.921 1.00 0.00 H new ATOM 114 N TYR A 8 -5.026 2.875 -5.929 1.00 0.00 N ATOM 115 CA TYR A 8 -5.535 2.181 -4.721 1.00 0.00 C ATOM 116 C TYR A 8 -7.040 2.398 -4.636 1.00 0.00 C ATOM 117 O TYR A 8 -7.500 3.471 -4.295 1.00 0.00 O ATOM 118 CB TYR A 8 -4.855 2.733 -3.462 1.00 0.00 C ATOM 119 CG TYR A 8 -5.516 2.140 -2.235 1.00 0.00 C ATOM 120 CD1 TYR A 8 -5.433 0.763 -1.994 1.00 0.00 C ATOM 121 CD2 TYR A 8 -6.215 2.965 -1.343 1.00 0.00 C ATOM 122 CE1 TYR A 8 -6.048 0.211 -0.864 1.00 0.00 C ATOM 123 CE2 TYR A 8 -6.827 2.412 -0.212 1.00 0.00 C ATOM 124 CZ TYR A 8 -6.743 1.035 0.028 1.00 0.00 C ATOM 125 OH TYR A 8 -7.348 0.491 1.142 1.00 0.00 O ATOM 0 H TYR A 8 -5.624 3.624 -6.278 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.314 1.116 -4.789 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -3.793 2.488 -3.471 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.931 3.820 -3.441 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -4.894 0.127 -2.680 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.281 4.027 -1.528 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -5.986 -0.852 -0.681 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.364 3.048 0.476 1.00 0.00 H new ATOM 0 HH TYR A 8 -7.786 1.201 1.656 1.00 0.00 H new ATOM 135 N LEU A 9 -7.813 1.387 -4.949 1.00 0.00 N ATOM 136 CA LEU A 9 -9.295 1.522 -4.895 1.00 0.00 C ATOM 137 C LEU A 9 -9.821 0.711 -3.713 1.00 0.00 C ATOM 138 O LEU A 9 -9.760 -0.503 -3.699 1.00 0.00 O ATOM 139 CB LEU A 9 -9.894 0.988 -6.205 1.00 0.00 C ATOM 140 CG LEU A 9 -9.588 1.961 -7.366 1.00 0.00 C ATOM 141 CD1 LEU A 9 -8.166 1.731 -7.902 1.00 0.00 C ATOM 142 CD2 LEU A 9 -10.589 1.738 -8.505 1.00 0.00 C ATOM 0 H LEU A 9 -7.475 0.470 -5.241 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.576 2.568 -4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.482 0.004 -6.427 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.972 0.866 -6.098 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.670 2.981 -6.990 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.968 2.425 -8.719 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.444 1.897 -7.102 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.075 0.707 -8.266 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.370 2.426 -9.322 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.509 0.712 -8.864 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.601 1.918 -8.141 1.00 0.00 H new ATOM 154 N ALA A 10 -10.329 1.380 -2.716 1.00 0.00 N ATOM 155 CA ALA A 10 -10.859 0.674 -1.520 1.00 0.00 C ATOM 156 C ALA A 10 -12.067 -0.177 -1.920 1.00 0.00 C ATOM 157 O ALA A 10 -12.351 -1.195 -1.319 1.00 0.00 O ATOM 158 CB ALA A 10 -11.278 1.715 -0.485 1.00 0.00 C ATOM 0 H ALA A 10 -10.400 2.397 -2.680 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.093 0.023 -1.100 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.669 1.212 0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.415 2.319 -0.206 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.050 2.358 -0.908 1.00 0.00 H new ATOM 164 N ALA A 11 -12.784 0.245 -2.924 1.00 0.00 N ATOM 165 CA ALA A 11 -13.983 -0.520 -3.369 1.00 0.00 C ATOM 166 C ALA A 11 -13.557 -1.898 -3.873 1.00 0.00 C ATOM 167 O ALA A 11 -14.245 -2.880 -3.677 1.00 0.00 O ATOM 168 CB ALA A 11 -14.670 0.244 -4.498 1.00 0.00 C ATOM 0 H ALA A 11 -12.590 1.092 -3.459 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.671 -0.642 -2.532 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.549 -0.309 -4.830 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.974 1.227 -4.139 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.978 0.360 -5.332 1.00 0.00 H new ATOM 174 N LYS A 12 -12.431 -1.978 -4.526 1.00 0.00 N ATOM 175 CA LYS A 12 -11.955 -3.287 -5.049 1.00 0.00 C ATOM 176 C LYS A 12 -11.042 -3.926 -4.005 1.00 0.00 C ATOM 177 O LYS A 12 -10.579 -5.035 -4.165 1.00 0.00 O ATOM 178 CB LYS A 12 -11.172 -3.052 -6.343 1.00 0.00 C ATOM 179 CG LYS A 12 -12.133 -2.586 -7.442 1.00 0.00 C ATOM 180 CD LYS A 12 -11.351 -2.244 -8.718 1.00 0.00 C ATOM 181 CE LYS A 12 -10.939 -3.527 -9.451 1.00 0.00 C ATOM 182 NZ LYS A 12 -10.417 -3.180 -10.805 1.00 0.00 N ATOM 0 H LYS A 12 -11.817 -1.187 -4.720 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.800 -3.945 -5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.397 -2.303 -6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.670 -3.970 -6.649 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.863 -3.367 -7.652 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.690 -1.713 -7.102 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.963 -1.624 -9.373 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.465 -1.662 -8.465 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.176 -4.056 -8.880 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.793 -4.198 -9.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.137 -4.049 -11.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.158 -2.693 -11.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.591 -2.555 -10.709 1.00 0.00 H new ATOM 196 N LYS A 13 -10.788 -3.223 -2.933 1.00 0.00 N ATOM 197 CA LYS A 13 -9.908 -3.761 -1.859 1.00 0.00 C ATOM 198 C LYS A 13 -8.560 -4.163 -2.458 1.00 0.00 C ATOM 199 O LYS A 13 -7.720 -4.732 -1.786 1.00 0.00 O ATOM 200 CB LYS A 13 -10.561 -4.983 -1.205 1.00 0.00 C ATOM 201 CG LYS A 13 -11.897 -4.573 -0.582 1.00 0.00 C ATOM 202 CD LYS A 13 -12.497 -5.748 0.202 1.00 0.00 C ATOM 203 CE LYS A 13 -12.983 -6.839 -0.759 1.00 0.00 C ATOM 204 NZ LYS A 13 -13.878 -7.780 -0.026 1.00 0.00 N ATOM 0 H LYS A 13 -11.158 -2.289 -2.756 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.759 -2.990 -1.103 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.718 -5.766 -1.947 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.902 -5.396 -0.441 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.751 -3.720 0.081 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.589 -4.256 -1.362 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.750 -6.159 0.881 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.328 -5.398 0.815 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.517 -6.390 -1.597 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.132 -7.378 -1.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.209 -8.521 -0.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.354 -8.217 0.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.696 -7.259 0.351 1.00 0.00 H new ATOM 218 N TYR A 14 -8.346 -3.862 -3.717 1.00 0.00 N ATOM 219 CA TYR A 14 -7.052 -4.212 -4.381 1.00 0.00 C ATOM 220 C TYR A 14 -6.492 -2.986 -5.097 1.00 0.00 C ATOM 221 O TYR A 14 -7.218 -2.091 -5.485 1.00 0.00 O ATOM 222 CB TYR A 14 -7.287 -5.336 -5.396 1.00 0.00 C ATOM 223 CG TYR A 14 -7.431 -6.649 -4.664 1.00 0.00 C ATOM 224 CD1 TYR A 14 -6.326 -7.194 -4.001 1.00 0.00 C ATOM 225 CD2 TYR A 14 -8.659 -7.321 -4.650 1.00 0.00 C ATOM 226 CE1 TYR A 14 -6.446 -8.411 -3.323 1.00 0.00 C ATOM 227 CE2 TYR A 14 -8.779 -8.541 -3.971 1.00 0.00 C ATOM 228 CZ TYR A 14 -7.672 -9.085 -3.307 1.00 0.00 C ATOM 229 OH TYR A 14 -7.789 -10.286 -2.639 1.00 0.00 O ATOM 0 H TYR A 14 -9.019 -3.385 -4.317 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.338 -4.545 -3.628 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.184 -5.132 -5.980 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.455 -5.387 -6.098 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.379 -6.674 -4.013 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.512 -6.900 -5.161 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -5.592 -8.831 -2.812 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -9.725 -9.062 -3.960 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.706 -10.620 -2.725 1.00 0.00 H new ATOM 239 N GLY A 15 -5.199 -2.942 -5.271 1.00 0.00 N ATOM 240 CA GLY A 15 -4.578 -1.780 -5.955 1.00 0.00 C ATOM 241 C GLY A 15 -3.179 -2.162 -6.430 1.00 0.00 C ATOM 242 O GLY A 15 -2.798 -3.316 -6.389 1.00 0.00 O ATOM 0 H GLY A 15 -4.547 -3.665 -4.967 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.191 -1.472 -6.802 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.524 -0.930 -5.275 1.00 0.00 H new ATOM 246 N PHE A 16 -2.405 -1.201 -6.881 1.00 0.00 N ATOM 247 CA PHE A 16 -1.024 -1.505 -7.363 1.00 0.00 C ATOM 248 C PHE A 16 -0.051 -0.448 -6.843 1.00 0.00 C ATOM 249 O PHE A 16 -0.410 0.698 -6.648 1.00 0.00 O ATOM 250 CB PHE A 16 -1.012 -1.493 -8.889 1.00 0.00 C ATOM 251 CG PHE A 16 -1.878 -2.613 -9.404 1.00 0.00 C ATOM 252 CD1 PHE A 16 -1.337 -3.893 -9.574 1.00 0.00 C ATOM 253 CD2 PHE A 16 -3.222 -2.373 -9.711 1.00 0.00 C ATOM 254 CE1 PHE A 16 -2.142 -4.934 -10.051 1.00 0.00 C ATOM 255 CE2 PHE A 16 -4.027 -3.414 -10.187 1.00 0.00 C ATOM 256 CZ PHE A 16 -3.487 -4.695 -10.358 1.00 0.00 C ATOM 0 H PHE A 16 -2.674 -0.218 -6.935 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.720 -2.486 -6.997 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.378 -0.535 -9.259 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.008 -1.608 -9.257 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.299 -4.077 -9.337 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.638 -1.385 -9.581 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.726 -5.922 -10.182 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.065 -3.230 -10.423 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.108 -5.498 -10.727 1.00 0.00 H new ATOM 266 N ILE A 17 1.186 -0.830 -6.631 1.00 0.00 N ATOM 267 CA ILE A 17 2.214 0.134 -6.132 1.00 0.00 C ATOM 268 C ILE A 17 3.467 0.029 -7.002 1.00 0.00 C ATOM 269 O ILE A 17 3.926 -1.052 -7.318 1.00 0.00 O ATOM 270 CB ILE A 17 2.556 -0.201 -4.679 1.00 0.00 C ATOM 271 CG1 ILE A 17 1.321 0.035 -3.803 1.00 0.00 C ATOM 272 CG2 ILE A 17 3.702 0.690 -4.199 1.00 0.00 C ATOM 273 CD1 ILE A 17 1.563 -0.535 -2.405 1.00 0.00 C ATOM 0 H ILE A 17 1.529 -1.778 -6.784 1.00 0.00 H new ATOM 0 HA ILE A 17 1.826 1.151 -6.183 1.00 0.00 H new ATOM 0 HB ILE A 17 2.862 -1.245 -4.609 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.107 1.102 -3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.448 -0.438 -4.253 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.942 0.448 -3.164 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.579 0.522 -4.824 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.403 1.736 -4.267 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.683 -0.365 -1.785 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.755 -1.606 -2.477 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.424 -0.041 -1.955 1.00 0.00 H new ATOM 285 N GLN A 18 4.015 1.145 -7.412 1.00 0.00 N ATOM 286 CA GLN A 18 5.227 1.107 -8.281 1.00 0.00 C ATOM 287 C GLN A 18 6.484 0.998 -7.415 1.00 0.00 C ATOM 288 O GLN A 18 6.878 1.932 -6.746 1.00 0.00 O ATOM 289 CB GLN A 18 5.281 2.387 -9.118 1.00 0.00 C ATOM 290 CG GLN A 18 6.496 2.338 -10.045 1.00 0.00 C ATOM 291 CD GLN A 18 6.441 3.510 -11.026 1.00 0.00 C ATOM 292 OE1 GLN A 18 5.407 4.125 -11.199 1.00 0.00 O ATOM 293 NE2 GLN A 18 7.518 3.847 -11.681 1.00 0.00 N ATOM 0 H GLN A 18 3.675 2.079 -7.182 1.00 0.00 H new ATOM 0 HA GLN A 18 5.178 0.240 -8.940 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.367 2.490 -9.703 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.342 3.258 -8.466 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.414 2.383 -9.460 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.512 1.395 -10.591 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.386 3.331 -11.536 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.492 4.627 -12.338 1.00 0.00 H new ATOM 302 N GLY A 19 7.107 -0.151 -7.423 1.00 0.00 N ATOM 303 CA GLY A 19 8.333 -0.352 -6.600 1.00 0.00 C ATOM 304 C GLY A 19 9.500 0.469 -7.154 1.00 0.00 C ATOM 305 O GLY A 19 9.522 0.846 -8.310 1.00 0.00 O ATOM 0 H GLY A 19 6.816 -0.963 -7.968 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.136 -0.061 -5.568 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.599 -1.409 -6.588 1.00 0.00 H new ATOM 309 N ASP A 20 10.479 0.733 -6.330 1.00 0.00 N ATOM 310 CA ASP A 20 11.663 1.513 -6.784 1.00 0.00 C ATOM 311 C ASP A 20 12.435 0.709 -7.835 1.00 0.00 C ATOM 312 O ASP A 20 13.024 1.264 -8.742 1.00 0.00 O ATOM 313 CB ASP A 20 12.566 1.801 -5.582 1.00 0.00 C ATOM 314 CG ASP A 20 12.972 0.486 -4.914 1.00 0.00 C ATOM 315 OD1 ASP A 20 12.466 -0.546 -5.324 1.00 0.00 O ATOM 316 OD2 ASP A 20 13.777 0.533 -3.999 1.00 0.00 O ATOM 0 H ASP A 20 10.507 0.438 -5.354 1.00 0.00 H new ATOM 0 HA ASP A 20 11.336 2.454 -7.226 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.454 2.345 -5.904 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.044 2.437 -4.867 1.00 0.00 H new ATOM 321 N ASP A 21 12.445 -0.593 -7.721 1.00 0.00 N ATOM 322 CA ASP A 21 13.181 -1.429 -8.709 1.00 0.00 C ATOM 323 C ASP A 21 12.238 -1.794 -9.859 1.00 0.00 C ATOM 324 O ASP A 21 12.568 -2.584 -10.721 1.00 0.00 O ATOM 325 CB ASP A 21 13.690 -2.700 -8.019 1.00 0.00 C ATOM 326 CG ASP A 21 12.544 -3.375 -7.264 1.00 0.00 C ATOM 327 OD1 ASP A 21 11.413 -2.957 -7.445 1.00 0.00 O ATOM 328 OD2 ASP A 21 12.818 -4.297 -6.514 1.00 0.00 O ATOM 0 H ASP A 21 11.972 -1.114 -6.982 1.00 0.00 H new ATOM 0 HA ASP A 21 14.032 -0.876 -9.106 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.104 -3.385 -8.759 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.496 -2.452 -7.328 1.00 0.00 H new ATOM 333 N GLY A 22 11.065 -1.208 -9.885 1.00 0.00 N ATOM 334 CA GLY A 22 10.100 -1.508 -10.981 1.00 0.00 C ATOM 335 C GLY A 22 9.299 -2.760 -10.623 1.00 0.00 C ATOM 336 O GLY A 22 8.685 -3.376 -11.472 1.00 0.00 O ATOM 0 H GLY A 22 10.737 -0.535 -9.192 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.428 -0.663 -11.130 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.634 -1.660 -11.919 1.00 0.00 H new ATOM 340 N GLU A 23 9.301 -3.149 -9.373 1.00 0.00 N ATOM 341 CA GLU A 23 8.543 -4.367 -8.961 1.00 0.00 C ATOM 342 C GLU A 23 7.176 -3.962 -8.405 1.00 0.00 C ATOM 343 O GLU A 23 7.078 -3.185 -7.475 1.00 0.00 O ATOM 344 CB GLU A 23 9.334 -5.107 -7.884 1.00 0.00 C ATOM 345 CG GLU A 23 10.613 -5.671 -8.503 1.00 0.00 C ATOM 346 CD GLU A 23 11.435 -6.377 -7.425 1.00 0.00 C ATOM 347 OE1 GLU A 23 11.000 -6.381 -6.285 1.00 0.00 O ATOM 348 OE2 GLU A 23 12.483 -6.904 -7.758 1.00 0.00 O ATOM 0 H GLU A 23 9.797 -2.673 -8.619 1.00 0.00 H new ATOM 0 HA GLU A 23 8.399 -5.017 -9.824 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.579 -4.430 -7.065 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.733 -5.913 -7.463 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.365 -6.370 -9.302 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.197 -4.868 -8.952 1.00 0.00 H new ATOM 355 N SER A 24 6.119 -4.477 -8.976 1.00 0.00 N ATOM 356 CA SER A 24 4.757 -4.118 -8.491 1.00 0.00 C ATOM 357 C SER A 24 4.414 -4.912 -7.231 1.00 0.00 C ATOM 358 O SER A 24 4.844 -6.035 -7.055 1.00 0.00 O ATOM 359 CB SER A 24 3.740 -4.441 -9.583 1.00 0.00 C ATOM 360 OG SER A 24 3.418 -5.825 -9.532 1.00 0.00 O ATOM 0 H SER A 24 6.142 -5.131 -9.758 1.00 0.00 H new ATOM 0 HA SER A 24 4.731 -3.054 -8.254 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.840 -3.841 -9.446 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.147 -4.187 -10.562 1.00 0.00 H new ATOM 0 HG SER A 24 2.764 -6.035 -10.231 1.00 0.00 H new ATOM 366 N TYR A 25 3.620 -4.335 -6.360 1.00 0.00 N ATOM 367 CA TYR A 25 3.212 -5.036 -5.107 1.00 0.00 C ATOM 368 C TYR A 25 1.694 -4.927 -4.947 1.00 0.00 C ATOM 369 O TYR A 25 1.118 -3.868 -5.097 1.00 0.00 O ATOM 370 CB TYR A 25 3.910 -4.381 -3.915 1.00 0.00 C ATOM 371 CG TYR A 25 5.396 -4.640 -4.007 1.00 0.00 C ATOM 372 CD1 TYR A 25 6.217 -3.774 -4.738 1.00 0.00 C ATOM 373 CD2 TYR A 25 5.951 -5.751 -3.362 1.00 0.00 C ATOM 374 CE1 TYR A 25 7.593 -4.020 -4.823 1.00 0.00 C ATOM 375 CE2 TYR A 25 7.325 -5.998 -3.447 1.00 0.00 C ATOM 376 CZ TYR A 25 8.148 -5.132 -4.177 1.00 0.00 C ATOM 377 OH TYR A 25 9.503 -5.376 -4.259 1.00 0.00 O ATOM 0 H TYR A 25 3.234 -3.397 -6.468 1.00 0.00 H new ATOM 0 HA TYR A 25 3.496 -6.087 -5.156 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.715 -3.309 -3.908 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.516 -4.782 -2.982 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.790 -2.916 -5.236 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.317 -6.419 -2.798 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.227 -3.352 -5.387 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.751 -6.857 -2.950 1.00 0.00 H new ATOM 0 HH TYR A 25 9.718 -5.731 -5.147 1.00 0.00 H new ATOM 387 N PHE A 26 1.045 -6.020 -4.647 1.00 0.00 N ATOM 388 CA PHE A 26 -0.434 -5.993 -4.477 1.00 0.00 C ATOM 389 C PHE A 26 -0.781 -5.524 -3.069 1.00 0.00 C ATOM 390 O PHE A 26 -0.088 -5.832 -2.119 1.00 0.00 O ATOM 391 CB PHE A 26 -0.986 -7.403 -4.705 1.00 0.00 C ATOM 392 CG PHE A 26 -1.065 -7.676 -6.186 1.00 0.00 C ATOM 393 CD1 PHE A 26 0.051 -8.165 -6.872 1.00 0.00 C ATOM 394 CD2 PHE A 26 -2.260 -7.433 -6.871 1.00 0.00 C ATOM 395 CE1 PHE A 26 -0.028 -8.410 -8.248 1.00 0.00 C ATOM 396 CE2 PHE A 26 -2.341 -7.680 -8.244 1.00 0.00 C ATOM 397 CZ PHE A 26 -1.225 -8.167 -8.933 1.00 0.00 C ATOM 0 H PHE A 26 1.479 -6.933 -4.512 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.876 -5.305 -5.198 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.344 -8.139 -4.222 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.974 -7.496 -4.254 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.972 -8.353 -6.341 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.120 -7.054 -6.339 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.833 -8.786 -8.781 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.264 -7.495 -8.773 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.287 -8.356 -9.995 1.00 0.00 H new ATOM 407 N LEU A 27 -1.855 -4.783 -2.927 1.00 0.00 N ATOM 408 CA LEU A 27 -2.261 -4.286 -1.577 1.00 0.00 C ATOM 409 C LEU A 27 -3.576 -4.949 -1.168 1.00 0.00 C ATOM 410 O LEU A 27 -4.574 -4.847 -1.856 1.00 0.00 O ATOM 411 CB LEU A 27 -2.450 -2.770 -1.643 1.00 0.00 C ATOM 412 CG LEU A 27 -2.528 -2.188 -0.219 1.00 0.00 C ATOM 413 CD1 LEU A 27 -2.389 -0.661 -0.286 1.00 0.00 C ATOM 414 CD2 LEU A 27 -3.862 -2.574 0.461 1.00 0.00 C ATOM 0 H LEU A 27 -2.468 -4.501 -3.692 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.492 -4.529 -0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.622 -2.315 -2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.361 -2.532 -2.193 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.715 -2.602 0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.444 -0.246 0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.429 -0.402 -0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.195 -0.249 -0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.894 -2.152 1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.695 -2.183 -0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.939 -3.660 0.521 1.00 0.00 H new ATOM 426 N HIS A 28 -3.585 -5.619 -0.042 1.00 0.00 N ATOM 427 CA HIS A 28 -4.830 -6.289 0.437 1.00 0.00 C ATOM 428 C HIS A 28 -4.969 -6.083 1.949 1.00 0.00 C ATOM 429 O HIS A 28 -4.051 -5.649 2.615 1.00 0.00 O ATOM 430 CB HIS A 28 -4.752 -7.788 0.145 1.00 0.00 C ATOM 431 CG HIS A 28 -6.059 -8.430 0.519 1.00 0.00 C ATOM 432 ND1 HIS A 28 -6.197 -9.231 1.643 1.00 0.00 N ATOM 433 CD2 HIS A 28 -7.300 -8.389 -0.065 1.00 0.00 C ATOM 434 CE1 HIS A 28 -7.480 -9.634 1.699 1.00 0.00 C ATOM 435 NE2 HIS A 28 -8.196 -9.150 0.681 1.00 0.00 N ATOM 0 H HIS A 28 -2.776 -5.730 0.569 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.690 -5.859 -0.077 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.539 -7.955 -0.911 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.936 -8.239 0.710 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.545 -7.848 -0.967 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -7.882 -10.271 2.473 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.186 -9.305 0.491 1.00 0.00 H new ATOM 443 N PHE A 29 -6.117 -6.395 2.491 1.00 0.00 N ATOM 444 CA PHE A 29 -6.338 -6.229 3.956 1.00 0.00 C ATOM 445 C PHE A 29 -5.423 -7.189 4.724 1.00 0.00 C ATOM 446 O PHE A 29 -4.875 -6.851 5.755 1.00 0.00 O ATOM 447 CB PHE A 29 -7.803 -6.551 4.270 1.00 0.00 C ATOM 448 CG PHE A 29 -8.683 -5.385 3.871 1.00 0.00 C ATOM 449 CD1 PHE A 29 -8.776 -5.006 2.526 1.00 0.00 C ATOM 450 CD2 PHE A 29 -9.409 -4.686 4.845 1.00 0.00 C ATOM 451 CE1 PHE A 29 -9.590 -3.933 2.156 1.00 0.00 C ATOM 452 CE2 PHE A 29 -10.225 -3.611 4.473 1.00 0.00 C ATOM 453 CZ PHE A 29 -10.314 -3.234 3.128 1.00 0.00 C ATOM 0 H PHE A 29 -6.917 -6.761 1.976 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.111 -5.206 4.255 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.110 -7.450 3.735 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.919 -6.758 5.334 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.218 -5.544 1.774 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.339 -4.977 5.883 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.661 -3.642 1.118 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.785 -3.073 5.223 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.942 -2.403 2.840 1.00 0.00 H new ATOM 463 N SER A 30 -5.263 -8.385 4.233 1.00 0.00 N ATOM 464 CA SER A 30 -4.395 -9.373 4.929 1.00 0.00 C ATOM 465 C SER A 30 -2.966 -8.836 4.990 1.00 0.00 C ATOM 466 O SER A 30 -2.155 -9.288 5.774 1.00 0.00 O ATOM 467 CB SER A 30 -4.417 -10.689 4.153 1.00 0.00 C ATOM 468 OG SER A 30 -3.629 -11.652 4.836 1.00 0.00 O ATOM 0 H SER A 30 -5.699 -8.722 3.375 1.00 0.00 H new ATOM 0 HA SER A 30 -4.761 -9.540 5.942 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.442 -11.047 4.052 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.031 -10.536 3.145 1.00 0.00 H new ATOM 0 HG SER A 30 -3.643 -12.497 4.340 1.00 0.00 H new ATOM 474 N GLU A 31 -2.651 -7.872 4.166 1.00 0.00 N ATOM 475 CA GLU A 31 -1.277 -7.301 4.175 1.00 0.00 C ATOM 476 C GLU A 31 -1.224 -6.128 5.152 1.00 0.00 C ATOM 477 O GLU A 31 -0.166 -5.616 5.463 1.00 0.00 O ATOM 478 CB GLU A 31 -0.932 -6.823 2.764 1.00 0.00 C ATOM 479 CG GLU A 31 -0.763 -8.038 1.847 1.00 0.00 C ATOM 480 CD GLU A 31 -0.504 -7.573 0.413 1.00 0.00 C ATOM 481 OE1 GLU A 31 -0.437 -6.373 0.201 1.00 0.00 O ATOM 482 OE2 GLU A 31 -0.378 -8.426 -0.452 1.00 0.00 O ATOM 0 H GLU A 31 -3.289 -7.456 3.487 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.557 -8.057 4.489 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.720 -6.173 2.385 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.015 -6.235 2.781 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.066 -8.655 2.194 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.658 -8.659 1.882 1.00 0.00 H new ATOM 489 N LEU A 32 -2.361 -5.703 5.651 1.00 0.00 N ATOM 490 CA LEU A 32 -2.384 -4.567 6.622 1.00 0.00 C ATOM 491 C LEU A 32 -2.503 -5.114 8.045 1.00 0.00 C ATOM 492 O LEU A 32 -3.544 -5.583 8.461 1.00 0.00 O ATOM 493 CB LEU A 32 -3.576 -3.656 6.310 1.00 0.00 C ATOM 494 CG LEU A 32 -3.422 -3.062 4.901 1.00 0.00 C ATOM 495 CD1 LEU A 32 -4.662 -2.227 4.567 1.00 0.00 C ATOM 496 CD2 LEU A 32 -2.168 -2.168 4.833 1.00 0.00 C ATOM 0 H LEU A 32 -3.275 -6.096 5.426 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.462 -3.993 6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.505 -4.222 6.377 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.637 -2.856 7.047 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.316 -3.874 4.181 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.557 -1.803 3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.548 -2.861 4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.765 -1.421 5.294 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.071 -1.754 3.830 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.261 -1.356 5.554 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.285 -2.762 5.068 1.00 0.00 H new ATOM 508 N LEU A 33 -1.437 -5.049 8.795 1.00 0.00 N ATOM 509 CA LEU A 33 -1.470 -5.555 10.193 1.00 0.00 C ATOM 510 C LEU A 33 -2.438 -4.703 11.012 1.00 0.00 C ATOM 511 O LEU A 33 -3.201 -5.208 11.814 1.00 0.00 O ATOM 512 CB LEU A 33 -0.061 -5.458 10.789 1.00 0.00 C ATOM 513 CG LEU A 33 0.799 -6.643 10.321 1.00 0.00 C ATOM 514 CD1 LEU A 33 0.322 -7.963 10.965 1.00 0.00 C ATOM 515 CD2 LEU A 33 0.722 -6.749 8.793 1.00 0.00 C ATOM 0 H LEU A 33 -0.541 -4.665 8.496 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.802 -6.593 10.209 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.405 -4.520 10.487 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.119 -5.449 11.877 1.00 0.00 H new ATOM 0 HG LEU A 33 1.830 -6.471 10.630 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.948 -8.785 10.617 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.395 -7.886 12.050 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.714 -8.151 10.684 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.330 -7.588 8.455 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.313 -6.907 8.491 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.094 -5.828 8.345 1.00 0.00 H new ATOM 527 N ASP A 34 -2.404 -3.410 10.819 1.00 0.00 N ATOM 528 CA ASP A 34 -3.308 -2.503 11.580 1.00 0.00 C ATOM 529 C ASP A 34 -4.485 -2.098 10.689 1.00 0.00 C ATOM 530 O ASP A 34 -4.334 -1.350 9.742 1.00 0.00 O ATOM 531 CB ASP A 34 -2.525 -1.263 12.011 1.00 0.00 C ATOM 532 CG ASP A 34 -3.351 -0.466 13.022 1.00 0.00 C ATOM 533 OD1 ASP A 34 -4.509 -0.803 13.209 1.00 0.00 O ATOM 534 OD2 ASP A 34 -2.811 0.469 13.589 1.00 0.00 O ATOM 0 H ASP A 34 -1.782 -2.941 10.160 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.690 -3.012 12.465 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.573 -1.556 12.453 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.296 -0.644 11.143 1.00 0.00 H new ATOM 539 N LYS A 35 -5.654 -2.593 10.985 1.00 0.00 N ATOM 540 CA LYS A 35 -6.849 -2.251 10.167 1.00 0.00 C ATOM 541 C LYS A 35 -7.126 -0.749 10.284 1.00 0.00 C ATOM 542 O LYS A 35 -7.605 -0.121 9.360 1.00 0.00 O ATOM 543 CB LYS A 35 -8.049 -3.044 10.686 1.00 0.00 C ATOM 544 CG LYS A 35 -7.771 -4.553 10.591 1.00 0.00 C ATOM 545 CD LYS A 35 -7.655 -4.989 9.123 1.00 0.00 C ATOM 546 CE LYS A 35 -7.847 -6.506 9.018 1.00 0.00 C ATOM 547 NZ LYS A 35 -6.755 -7.196 9.761 1.00 0.00 N ATOM 0 H LYS A 35 -5.833 -3.225 11.765 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.673 -2.502 9.121 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.255 -2.769 11.720 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.938 -2.794 10.106 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.849 -4.793 11.121 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.573 -5.108 11.079 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.404 -4.475 8.521 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.680 -4.708 8.726 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.816 -6.790 9.428 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.841 -6.813 7.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.751 -8.206 9.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.840 -6.773 9.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.911 -7.091 10.784 1.00 0.00 H new ATOM 561 N LYS A 36 -6.835 -0.172 11.416 1.00 0.00 N ATOM 562 CA LYS A 36 -7.080 1.283 11.604 1.00 0.00 C ATOM 563 C LYS A 36 -6.231 2.079 10.608 1.00 0.00 C ATOM 564 O LYS A 36 -6.638 3.117 10.124 1.00 0.00 O ATOM 565 CB LYS A 36 -6.706 1.677 13.032 1.00 0.00 C ATOM 566 CG LYS A 36 -7.685 1.027 14.012 1.00 0.00 C ATOM 567 CD LYS A 36 -7.299 1.402 15.444 1.00 0.00 C ATOM 568 CE LYS A 36 -8.287 0.760 16.419 1.00 0.00 C ATOM 569 NZ LYS A 36 -7.918 1.124 17.816 1.00 0.00 N ATOM 0 H LYS A 36 -6.435 -0.650 12.224 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.134 1.502 11.431 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.687 1.359 13.254 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.732 2.761 13.140 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.702 1.358 13.800 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.671 -0.056 13.892 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.286 1.064 15.660 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.305 2.486 15.563 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.300 1.097 16.200 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.279 -0.323 16.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.591 0.687 18.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.958 0.782 18.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.948 2.158 17.925 1.00 0.00 H new ATOM 583 N ASP A 37 -5.052 1.607 10.303 1.00 0.00 N ATOM 584 CA ASP A 37 -4.179 2.337 9.343 1.00 0.00 C ATOM 585 C ASP A 37 -4.797 2.248 7.946 1.00 0.00 C ATOM 586 O ASP A 37 -4.332 2.865 7.008 1.00 0.00 O ATOM 587 CB ASP A 37 -2.791 1.694 9.331 1.00 0.00 C ATOM 588 CG ASP A 37 -2.075 1.990 10.650 1.00 0.00 C ATOM 589 OD1 ASP A 37 -2.534 2.859 11.374 1.00 0.00 O ATOM 590 OD2 ASP A 37 -1.077 1.340 10.914 1.00 0.00 O ATOM 0 H ASP A 37 -4.656 0.745 10.679 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.090 3.382 9.641 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.880 0.617 9.188 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.208 2.080 8.495 1.00 0.00 H new ATOM 595 N GLU A 38 -5.837 1.474 7.805 1.00 0.00 N ATOM 596 CA GLU A 38 -6.494 1.325 6.477 1.00 0.00 C ATOM 597 C GLU A 38 -6.975 2.692 5.983 1.00 0.00 C ATOM 598 O GLU A 38 -6.849 3.020 4.821 1.00 0.00 O ATOM 599 CB GLU A 38 -7.696 0.388 6.626 1.00 0.00 C ATOM 600 CG GLU A 38 -8.369 0.175 5.266 1.00 0.00 C ATOM 601 CD GLU A 38 -9.554 -0.779 5.430 1.00 0.00 C ATOM 602 OE1 GLU A 38 -9.636 -1.420 6.465 1.00 0.00 O ATOM 603 OE2 GLU A 38 -10.361 -0.852 4.517 1.00 0.00 O ATOM 0 H GLU A 38 -6.263 0.934 8.559 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.785 0.914 5.758 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.372 -0.569 7.034 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.411 0.810 7.332 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.709 1.129 4.863 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.653 -0.235 4.554 1.00 0.00 H new ATOM 610 N GLY A 39 -7.544 3.481 6.854 1.00 0.00 N ATOM 611 CA GLY A 39 -8.050 4.821 6.435 1.00 0.00 C ATOM 612 C GLY A 39 -6.923 5.849 6.518 1.00 0.00 C ATOM 613 O GLY A 39 -7.100 7.004 6.184 1.00 0.00 O ATOM 0 H GLY A 39 -7.681 3.256 7.839 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.436 4.772 5.417 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.878 5.124 7.075 1.00 0.00 H new ATOM 617 N LYS A 40 -5.766 5.446 6.973 1.00 0.00 N ATOM 618 CA LYS A 40 -4.628 6.401 7.091 1.00 0.00 C ATOM 619 C LYS A 40 -3.743 6.288 5.848 1.00 0.00 C ATOM 620 O LYS A 40 -2.755 6.984 5.711 1.00 0.00 O ATOM 621 CB LYS A 40 -3.808 6.037 8.330 1.00 0.00 C ATOM 622 CG LYS A 40 -4.720 5.979 9.564 1.00 0.00 C ATOM 623 CD LYS A 40 -5.294 7.369 9.871 1.00 0.00 C ATOM 624 CE LYS A 40 -5.804 7.416 11.319 1.00 0.00 C ATOM 625 NZ LYS A 40 -4.665 7.714 12.232 1.00 0.00 N ATOM 0 H LYS A 40 -5.561 4.492 7.269 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.004 7.421 7.178 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.319 5.074 8.183 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.020 6.774 8.484 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.532 5.273 9.391 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.158 5.613 10.423 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.528 8.130 9.721 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.108 7.596 9.182 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.576 8.179 11.420 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.261 6.463 11.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.006 7.747 13.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.943 6.971 12.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.249 8.633 11.979 1.00 0.00 H new ATOM 639 N LEU A 41 -4.087 5.413 4.944 1.00 0.00 N ATOM 640 CA LEU A 41 -3.266 5.245 3.712 1.00 0.00 C ATOM 641 C LEU A 41 -3.293 6.536 2.898 1.00 0.00 C ATOM 642 O LEU A 41 -4.289 7.231 2.857 1.00 0.00 O ATOM 643 CB LEU A 41 -3.839 4.094 2.880 1.00 0.00 C ATOM 644 CG LEU A 41 -3.889 2.820 3.733 1.00 0.00 C ATOM 645 CD1 LEU A 41 -4.522 1.689 2.919 1.00 0.00 C ATOM 646 CD2 LEU A 41 -2.467 2.416 4.159 1.00 0.00 C ATOM 0 H LEU A 41 -4.904 4.805 5.006 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.235 5.019 3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.839 4.348 2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.223 3.928 1.996 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.487 3.008 4.625 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.559 0.782 3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.534 1.972 2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.925 1.506 2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.512 1.511 4.764 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.861 2.230 3.273 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.020 3.221 4.743 1.00 0.00 H new ATOM 658 N VAL A 42 -2.193 6.865 2.253 1.00 0.00 N ATOM 659 CA VAL A 42 -2.128 8.123 1.442 1.00 0.00 C ATOM 660 C VAL A 42 -1.963 7.772 -0.039 1.00 0.00 C ATOM 661 O VAL A 42 -1.031 7.101 -0.435 1.00 0.00 O ATOM 662 CB VAL A 42 -0.935 8.956 1.917 1.00 0.00 C ATOM 663 CG1 VAL A 42 0.376 8.211 1.633 1.00 0.00 C ATOM 664 CG2 VAL A 42 -0.937 10.301 1.188 1.00 0.00 C ATOM 0 H VAL A 42 -1.336 6.312 2.256 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.047 8.695 1.568 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.016 9.122 2.991 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.218 8.813 1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.374 7.257 2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.469 8.033 0.562 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.089 10.898 1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.860 10.133 0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.863 10.832 1.407 1.00 0.00 H new ATOM 674 N LYS A 43 -2.887 8.213 -0.854 1.00 0.00 N ATOM 675 CA LYS A 43 -2.833 7.913 -2.319 1.00 0.00 C ATOM 676 C LYS A 43 -2.166 9.058 -3.088 1.00 0.00 C ATOM 677 O LYS A 43 -2.370 10.221 -2.793 1.00 0.00 O ATOM 678 CB LYS A 43 -4.261 7.716 -2.835 1.00 0.00 C ATOM 679 CG LYS A 43 -4.230 7.348 -4.324 1.00 0.00 C ATOM 680 CD LYS A 43 -5.657 7.098 -4.814 1.00 0.00 C ATOM 681 CE LYS A 43 -5.624 6.716 -6.293 1.00 0.00 C ATOM 682 NZ LYS A 43 -7.010 6.447 -6.773 1.00 0.00 N ATOM 0 H LYS A 43 -3.687 8.775 -0.564 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.244 7.009 -2.474 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.757 6.929 -2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.839 8.628 -2.689 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.772 8.152 -4.899 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.620 6.458 -4.478 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.119 6.301 -4.231 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.265 7.992 -4.671 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.176 7.520 -6.877 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.001 5.833 -6.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.984 6.187 -7.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.422 5.666 -6.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.592 7.300 -6.650 1.00 0.00 H new ATOM 696 N GLY A 44 -1.400 8.735 -4.100 1.00 0.00 N ATOM 697 CA GLY A 44 -0.747 9.795 -4.920 1.00 0.00 C ATOM 698 C GLY A 44 0.540 10.277 -4.249 1.00 0.00 C ATOM 699 O GLY A 44 0.975 11.390 -4.469 1.00 0.00 O ATOM 0 H GLY A 44 -1.200 7.779 -4.393 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.522 9.407 -5.914 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.431 10.633 -5.052 1.00 0.00 H new ATOM 703 N SER A 45 1.164 9.464 -3.435 1.00 0.00 N ATOM 704 CA SER A 45 2.424 9.917 -2.770 1.00 0.00 C ATOM 705 C SER A 45 3.327 8.726 -2.437 1.00 0.00 C ATOM 706 O SER A 45 3.135 7.623 -2.918 1.00 0.00 O ATOM 707 CB SER A 45 2.081 10.661 -1.481 1.00 0.00 C ATOM 708 OG SER A 45 3.248 11.316 -1.001 1.00 0.00 O ATOM 0 H SER A 45 0.861 8.518 -3.204 1.00 0.00 H new ATOM 0 HA SER A 45 2.955 10.577 -3.456 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.290 11.388 -1.665 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.706 9.964 -0.732 1.00 0.00 H new ATOM 0 HG SER A 45 3.036 11.798 -0.174 1.00 0.00 H new ATOM 714 N MET A 46 4.328 8.962 -1.625 1.00 0.00 N ATOM 715 CA MET A 46 5.281 7.878 -1.251 1.00 0.00 C ATOM 716 C MET A 46 4.715 7.027 -0.111 1.00 0.00 C ATOM 717 O MET A 46 4.069 7.524 0.790 1.00 0.00 O ATOM 718 CB MET A 46 6.596 8.510 -0.794 1.00 0.00 C ATOM 719 CG MET A 46 7.295 9.155 -1.991 1.00 0.00 C ATOM 720 SD MET A 46 8.843 9.917 -1.446 1.00 0.00 S ATOM 721 CE MET A 46 9.216 10.800 -2.982 1.00 0.00 C ATOM 0 H MET A 46 4.525 9.869 -1.203 1.00 0.00 H new ATOM 0 HA MET A 46 5.444 7.238 -2.118 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.404 9.258 -0.025 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.240 7.752 -0.348 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.496 8.405 -2.756 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.647 9.906 -2.443 1.00 0.00 H new ATOM 0 HE1 MET A 46 10.080 11.447 -2.829 1.00 0.00 H new ATOM 0 HE2 MET A 46 9.436 10.081 -3.771 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.357 11.405 -3.272 1.00 0.00 H new ATOM 731 N VAL A 47 4.982 5.743 -0.140 1.00 0.00 N ATOM 732 CA VAL A 47 4.497 4.830 0.940 1.00 0.00 C ATOM 733 C VAL A 47 5.634 3.893 1.344 1.00 0.00 C ATOM 734 O VAL A 47 6.585 3.717 0.607 1.00 0.00 O ATOM 735 CB VAL A 47 3.305 4.016 0.423 1.00 0.00 C ATOM 736 CG1 VAL A 47 2.321 4.957 -0.271 1.00 0.00 C ATOM 737 CG2 VAL A 47 3.788 2.961 -0.578 1.00 0.00 C ATOM 0 H VAL A 47 5.521 5.285 -0.875 1.00 0.00 H new ATOM 0 HA VAL A 47 4.180 5.411 1.806 1.00 0.00 H new ATOM 0 HB VAL A 47 2.817 3.518 1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.470 4.385 -0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.972 5.707 0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.817 5.451 -1.106 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.936 2.387 -0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.278 3.454 -1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.495 2.291 -0.088 1.00 0.00 H new ATOM 747 N HIS A 48 5.544 3.284 2.504 1.00 0.00 N ATOM 748 CA HIS A 48 6.622 2.350 2.955 1.00 0.00 C ATOM 749 C HIS A 48 6.022 0.985 3.280 1.00 0.00 C ATOM 750 O HIS A 48 4.997 0.878 3.921 1.00 0.00 O ATOM 751 CB HIS A 48 7.291 2.928 4.199 1.00 0.00 C ATOM 752 CG HIS A 48 8.138 4.100 3.796 1.00 0.00 C ATOM 753 ND1 HIS A 48 9.522 4.042 3.792 1.00 0.00 N ATOM 754 CD2 HIS A 48 7.812 5.357 3.355 1.00 0.00 C ATOM 755 CE1 HIS A 48 9.976 5.233 3.361 1.00 0.00 C ATOM 756 NE2 HIS A 48 8.974 6.073 3.080 1.00 0.00 N ATOM 0 H HIS A 48 4.769 3.395 3.157 1.00 0.00 H new ATOM 0 HA HIS A 48 7.360 2.231 2.161 1.00 0.00 H new ATOM 0 HB2 HIS A 48 6.537 3.239 4.922 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.904 2.169 4.684 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.807 5.734 3.239 1.00 0.00 H new ATOM 0 HE1 HIS A 48 11.022 5.480 3.255 1.00 0.00 H new ATOM 0 HE2 HIS A 48 9.046 7.031 2.738 1.00 0.00 H new ATOM 764 N PHE A 49 6.672 -0.066 2.847 1.00 0.00 N ATOM 765 CA PHE A 49 6.166 -1.438 3.128 1.00 0.00 C ATOM 766 C PHE A 49 7.356 -2.375 3.304 1.00 0.00 C ATOM 767 O PHE A 49 8.430 -2.123 2.797 1.00 0.00 O ATOM 768 CB PHE A 49 5.301 -1.922 1.962 1.00 0.00 C ATOM 769 CG PHE A 49 6.141 -2.060 0.712 1.00 0.00 C ATOM 770 CD1 PHE A 49 6.289 -0.970 -0.155 1.00 0.00 C ATOM 771 CD2 PHE A 49 6.759 -3.281 0.413 1.00 0.00 C ATOM 772 CE1 PHE A 49 7.054 -1.102 -1.320 1.00 0.00 C ATOM 773 CE2 PHE A 49 7.522 -3.413 -0.755 1.00 0.00 C ATOM 774 CZ PHE A 49 7.670 -2.322 -1.620 1.00 0.00 C ATOM 0 H PHE A 49 7.537 -0.029 2.308 1.00 0.00 H new ATOM 0 HA PHE A 49 5.563 -1.428 4.036 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.846 -2.881 2.211 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.487 -1.218 1.786 1.00 0.00 H new ATOM 0 HD1 PHE A 49 5.813 -0.028 0.075 1.00 0.00 H new ATOM 0 HD2 PHE A 49 6.647 -4.121 1.083 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.169 -0.261 -1.988 1.00 0.00 H new ATOM 0 HE2 PHE A 49 7.995 -4.355 -0.988 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.260 -2.422 -2.519 1.00 0.00 H new ATOM 784 N ASP A 50 7.175 -3.456 4.019 1.00 0.00 N ATOM 785 CA ASP A 50 8.297 -4.415 4.231 1.00 0.00 C ATOM 786 C ASP A 50 8.150 -5.585 3.242 1.00 0.00 C ATOM 787 O ASP A 50 7.061 -5.896 2.799 1.00 0.00 O ATOM 788 CB ASP A 50 8.236 -4.943 5.677 1.00 0.00 C ATOM 789 CG ASP A 50 9.047 -4.028 6.603 1.00 0.00 C ATOM 790 OD1 ASP A 50 8.686 -2.868 6.721 1.00 0.00 O ATOM 791 OD2 ASP A 50 10.015 -4.505 7.175 1.00 0.00 O ATOM 0 H ASP A 50 6.295 -3.715 4.466 1.00 0.00 H new ATOM 0 HA ASP A 50 9.254 -3.919 4.065 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.200 -4.989 6.013 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.630 -5.958 5.719 1.00 0.00 H new ATOM 796 N PRO A 51 9.239 -6.234 2.909 1.00 0.00 N ATOM 797 CA PRO A 51 9.237 -7.397 1.966 1.00 0.00 C ATOM 798 C PRO A 51 8.489 -8.606 2.542 1.00 0.00 C ATOM 799 O PRO A 51 8.364 -8.754 3.743 1.00 0.00 O ATOM 800 CB PRO A 51 10.731 -7.709 1.769 1.00 0.00 C ATOM 801 CG PRO A 51 11.396 -7.175 2.994 1.00 0.00 C ATOM 802 CD PRO A 51 10.597 -5.937 3.392 1.00 0.00 C ATOM 0 HA PRO A 51 8.722 -7.169 1.033 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.901 -8.780 1.662 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.119 -7.233 0.869 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.395 -7.915 3.794 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.437 -6.922 2.795 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.614 -5.778 4.470 1.00 0.00 H new ATOM 0 HD3 PRO A 51 10.999 -5.035 2.931 1.00 0.00 H new ATOM 810 N THR A 52 7.983 -9.467 1.689 1.00 0.00 N ATOM 811 CA THR A 52 7.228 -10.662 2.177 1.00 0.00 C ATOM 812 C THR A 52 8.132 -11.902 2.068 1.00 0.00 C ATOM 813 O THR A 52 9.047 -11.937 1.266 1.00 0.00 O ATOM 814 CB THR A 52 5.966 -10.852 1.301 1.00 0.00 C ATOM 815 OG1 THR A 52 6.214 -11.840 0.315 1.00 0.00 O ATOM 816 CG2 THR A 52 5.595 -9.532 0.617 1.00 0.00 C ATOM 0 H THR A 52 8.062 -9.392 0.675 1.00 0.00 H new ATOM 0 HA THR A 52 6.929 -10.522 3.216 1.00 0.00 H new ATOM 0 HB THR A 52 5.140 -11.169 1.937 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.413 -11.959 -0.237 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.706 -9.677 0.003 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.393 -8.774 1.374 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.421 -9.204 -0.014 1.00 0.00 H new ATOM 895 N LEU A 58 6.336 -9.324 -4.527 1.00 0.00 N ATOM 896 CA LEU A 58 5.149 -8.940 -5.349 1.00 0.00 C ATOM 897 C LEU A 58 3.938 -8.727 -4.441 1.00 0.00 C ATOM 898 O LEU A 58 2.804 -8.758 -4.879 1.00 0.00 O ATOM 899 CB LEU A 58 4.838 -10.033 -6.384 1.00 0.00 C ATOM 900 CG LEU A 58 6.016 -10.209 -7.365 1.00 0.00 C ATOM 901 CD1 LEU A 58 6.308 -8.882 -8.096 1.00 0.00 C ATOM 902 CD2 LEU A 58 7.271 -10.688 -6.608 1.00 0.00 C ATOM 0 HA LEU A 58 5.373 -8.013 -5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.639 -10.976 -5.875 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.935 -9.771 -6.936 1.00 0.00 H new ATOM 0 HG LEU A 58 5.744 -10.961 -8.105 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.141 -9.022 -8.785 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.424 -8.572 -8.654 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.565 -8.114 -7.367 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.096 -10.809 -7.310 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.543 -9.951 -5.852 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.063 -11.643 -6.126 1.00 0.00 H new ATOM 914 N ALA A 59 4.169 -8.493 -3.178 1.00 0.00 N ATOM 915 CA ALA A 59 3.036 -8.257 -2.246 1.00 0.00 C ATOM 916 C ALA A 59 3.493 -7.322 -1.125 1.00 0.00 C ATOM 917 O ALA A 59 4.610 -7.397 -0.649 1.00 0.00 O ATOM 918 CB ALA A 59 2.566 -9.598 -1.668 1.00 0.00 C ATOM 0 H ALA A 59 5.096 -8.456 -2.753 1.00 0.00 H new ATOM 0 HA ALA A 59 2.205 -7.793 -2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.735 -9.428 -0.984 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.241 -10.250 -2.479 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.388 -10.070 -1.130 1.00 0.00 H new ATOM 924 N ALA A 60 2.631 -6.439 -0.710 1.00 0.00 N ATOM 925 CA ALA A 60 2.992 -5.489 0.372 1.00 0.00 C ATOM 926 C ALA A 60 2.861 -6.175 1.729 1.00 0.00 C ATOM 927 O ALA A 60 2.026 -7.037 1.921 1.00 0.00 O ATOM 928 CB ALA A 60 2.044 -4.295 0.322 1.00 0.00 C ATOM 0 H ALA A 60 1.685 -6.335 -1.078 1.00 0.00 H new ATOM 0 HA ALA A 60 4.021 -5.157 0.234 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.302 -3.592 1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.132 -3.801 -0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.019 -4.638 0.462 1.00 0.00 H new ATOM 934 N LYS A 61 3.666 -5.784 2.681 1.00 0.00 N ATOM 935 CA LYS A 61 3.580 -6.394 4.039 1.00 0.00 C ATOM 936 C LYS A 61 3.889 -5.328 5.088 1.00 0.00 C ATOM 937 O LYS A 61 4.888 -4.641 5.014 1.00 0.00 O ATOM 938 CB LYS A 61 4.589 -7.540 4.156 1.00 0.00 C ATOM 939 CG LYS A 61 4.293 -8.373 5.418 1.00 0.00 C ATOM 940 CD LYS A 61 3.247 -9.450 5.107 1.00 0.00 C ATOM 941 CE LYS A 61 3.008 -10.304 6.351 1.00 0.00 C ATOM 942 NZ LYS A 61 1.984 -11.340 6.042 1.00 0.00 N ATOM 0 H LYS A 61 4.382 -5.065 2.575 1.00 0.00 H new ATOM 0 HA LYS A 61 2.576 -6.786 4.200 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.537 -8.174 3.271 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.602 -7.141 4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.210 -8.839 5.778 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.931 -7.723 6.215 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.314 -8.985 4.788 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.589 -10.077 4.283 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.938 -10.777 6.667 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.672 -9.678 7.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.817 -11.925 6.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.096 -10.877 5.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.323 -11.942 5.265 1.00 0.00 H new ATOM 956 N ALA A 62 3.034 -5.183 6.064 1.00 0.00 N ATOM 957 CA ALA A 62 3.268 -4.159 7.117 1.00 0.00 C ATOM 958 C ALA A 62 3.423 -2.787 6.460 1.00 0.00 C ATOM 959 O ALA A 62 4.448 -2.139 6.566 1.00 0.00 O ATOM 960 CB ALA A 62 4.526 -4.511 7.919 1.00 0.00 C ATOM 0 H ALA A 62 2.182 -5.732 6.176 1.00 0.00 H new ATOM 0 HA ALA A 62 2.418 -4.136 7.800 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.690 -3.756 8.688 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.397 -5.486 8.389 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.387 -4.542 7.251 1.00 0.00 H new ATOM 966 N ILE A 63 2.399 -2.344 5.778 1.00 0.00 N ATOM 967 CA ILE A 63 2.448 -1.018 5.106 1.00 0.00 C ATOM 968 C ILE A 63 2.365 0.090 6.153 1.00 0.00 C ATOM 969 O ILE A 63 1.618 -0.002 7.107 1.00 0.00 O ATOM 970 CB ILE A 63 1.272 -0.899 4.134 1.00 0.00 C ATOM 971 CG1 ILE A 63 1.467 -1.902 2.988 1.00 0.00 C ATOM 972 CG2 ILE A 63 1.208 0.523 3.569 1.00 0.00 C ATOM 973 CD1 ILE A 63 0.200 -1.990 2.126 1.00 0.00 C ATOM 0 H ILE A 63 1.523 -2.852 5.659 1.00 0.00 H new ATOM 0 HA ILE A 63 3.384 -0.922 4.556 1.00 0.00 H new ATOM 0 HB ILE A 63 0.341 -1.114 4.658 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.313 -1.598 2.371 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.706 -2.885 3.394 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.369 0.602 2.878 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.074 1.233 4.385 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.135 0.747 3.042 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.358 -2.706 1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.637 -2.317 2.742 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.021 -1.010 1.703 1.00 0.00 H new ATOM 985 N SER A 64 3.135 1.138 5.983 1.00 0.00 N ATOM 986 CA SER A 64 3.119 2.259 6.968 1.00 0.00 C ATOM 987 C SER A 64 3.106 3.597 6.231 1.00 0.00 C ATOM 988 O SER A 64 3.423 3.679 5.055 1.00 0.00 O ATOM 989 CB SER A 64 4.372 2.181 7.834 1.00 0.00 C ATOM 990 OG SER A 64 5.516 2.107 6.995 1.00 0.00 O ATOM 0 H SER A 64 3.776 1.263 5.200 1.00 0.00 H new ATOM 0 HA SER A 64 2.227 2.179 7.590 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.437 3.056 8.481 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.326 1.307 8.484 1.00 0.00 H new ATOM 0 HG SER A 64 6.324 2.058 7.547 1.00 0.00 H new ATOM 996 N LEU A 65 2.733 4.644 6.926 1.00 0.00 N ATOM 997 CA LEU A 65 2.679 6.003 6.314 1.00 0.00 C ATOM 998 C LEU A 65 3.579 6.952 7.119 1.00 0.00 C ATOM 999 O LEU A 65 3.110 7.706 7.949 1.00 0.00 O ATOM 1000 CB LEU A 65 1.232 6.515 6.350 1.00 0.00 C ATOM 1001 CG LEU A 65 0.600 6.261 7.743 1.00 0.00 C ATOM 1002 CD1 LEU A 65 -0.359 7.405 8.096 1.00 0.00 C ATOM 1003 CD2 LEU A 65 -0.188 4.941 7.736 1.00 0.00 C ATOM 0 H LEU A 65 2.460 4.610 7.908 1.00 0.00 H new ATOM 0 HA LEU A 65 3.024 5.960 5.281 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.212 7.581 6.124 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.644 6.015 5.581 1.00 0.00 H new ATOM 0 HG LEU A 65 1.401 6.205 8.481 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.800 7.221 9.076 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.190 8.347 8.116 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.149 7.461 7.347 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.627 4.774 8.720 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.980 4.994 6.989 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.484 4.117 7.494 1.00 0.00 H new ATOM 1015 N PRO A 66 4.869 6.911 6.877 1.00 0.00 N ATOM 1016 CA PRO A 66 5.862 7.769 7.590 1.00 0.00 C ATOM 1017 C PRO A 66 5.988 9.150 6.931 1.00 0.00 C ATOM 1018 O PRO A 66 7.023 9.785 6.981 1.00 0.00 O ATOM 1019 CB PRO A 66 7.157 6.969 7.438 1.00 0.00 C ATOM 1020 CG PRO A 66 7.033 6.317 6.099 1.00 0.00 C ATOM 1021 CD PRO A 66 5.535 6.034 5.892 1.00 0.00 C ATOM 0 HA PRO A 66 5.590 7.973 8.626 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.033 7.617 7.486 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.264 6.230 8.232 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.418 6.967 5.313 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.612 5.394 6.061 1.00 0.00 H new ATOM 0 HD2 PRO A 66 5.221 6.266 4.874 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.299 4.984 6.067 1.00 0.00 H new