USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 917 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 74 CYS SG : rot -29:sc= 0.223 USER MOD Set 1.2: A 78 THR OG1 : rot -29:sc= 2.21 USER MOD Single : A 52 SER OG : rot 180:sc= 0.252 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 54 MET CE :methyl 175:sc= -0.0431 (180deg=-0.14) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 167:sc= 0.45 (180deg=-0.183) USER MOD Single : A 63 ASN : amide:sc= -3.17 K(o=-3.2,f=-0.73) USER MOD Single : A 65 LYS NZ :NH3+ -151:sc= -2.75! (180deg=-4.11!) USER MOD Single : A 75 LYS NZ :NH3+ 177:sc= 0.772 (180deg=0.685) USER MOD Single : A 76 MET CE :methyl -127:sc= -1.11 (180deg=-3.89!) USER MOD Single : A 77 GLN : amide:sc= -3.17! C(o=-3.2!,f=-4.5!) USER MOD Single : A 81 HIS : no HE2:sc= 1.07 K(o=1.1,f=-4.6!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.511 K(o=-0.51,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 93 GLN : amide:sc= -0.436 X(o=-0.44,f=-0.037) USER MOD Single : A 96 HIS : no HD1:sc= -0.916 K(o=-0.92,f=-4.6!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 84:sc= 1.27 USER MOD Single : A 106 CYS SG : rot 117:sc= 1.21 USER MOD Single : A 107 ASN : amide:sc= 1.14 K(o=1.1,f=-0.05) USER MOD Single : A 110 SER OG : rot -21:sc= 0.982 USER MOD Single : A 114 SER OG : rot 108:sc= 1.02 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -151:sc= 1.28 (180deg=1.14) USER MOD Single : A 124 TYR OH : rot 180:sc= -0.0946 USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -12.7! C(o=-13!,f=-15!) USER MOD Single : A 131 CYS SG : rot 180:sc= -2.41! USER MOD Single : A 132 THR OG1 : rot 71:sc= -1.27! USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 2.39 (180deg=2.39) USER MOD Single : A 137 HIS : no HD1:sc= -0.0731 X(o=-0.073,f=0.0089) USER MOD Single : A 138 SER OG : rot -106:sc= 0.91 USER MOD Single : A 140 LYS NZ :NH3+ -163:sc= -0.0679 (180deg=-0.367) USER MOD Single : A 141 LYS NZ :NH3+ 147:sc= -1.36 (180deg=-3.16!) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 24 GLN : amide:sc= -0.228 K(o=-0.23,f=-0.95) USER MOD Single : B 27 SER OG : rot 180:sc= 0.184 USER MOD Single : B 29 SER OG : rot 132:sc= 0.495 USER MOD Single : B 33 GLN : amide:sc= 0.322 X(o=0.32,f=-0.018) USER MOD Single : B 34 TYR OH : rot 10:sc= 0.648 USER MOD Single : B 36 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 51 -24.075 2.727 15.393 1.00 10.57 N ATOM 2 CA GLY A 51 -23.295 2.732 14.132 1.00 9.93 C ATOM 3 C GLY A 51 -22.064 1.859 14.230 1.00 9.27 C ATOM 4 O GLY A 51 -21.103 2.208 14.917 1.00 9.29 O ATOM 0 HA2 GLY A 51 -23.925 2.382 13.314 1.00 9.93 H new ATOM 0 HA3 GLY A 51 -22.998 3.753 13.892 1.00 9.93 H new ATOM 10 N SER A 52 -22.101 0.719 13.552 1.00 8.95 N ATOM 11 CA SER A 52 -21.006 -0.239 13.589 1.00 8.59 C ATOM 12 C SER A 52 -19.725 0.372 13.025 1.00 7.80 C ATOM 13 O SER A 52 -18.798 0.709 13.766 1.00 7.91 O ATOM 14 CB SER A 52 -21.400 -1.493 12.801 1.00 9.23 C ATOM 15 OG SER A 52 -21.927 -1.156 11.523 1.00 9.51 O ATOM 0 H SER A 52 -22.885 0.435 12.965 1.00 8.95 H new ATOM 0 HA SER A 52 -20.811 -0.513 14.626 1.00 8.59 H new ATOM 0 HB2 SER A 52 -20.529 -2.137 12.679 1.00 9.23 H new ATOM 0 HB3 SER A 52 -22.141 -2.061 13.364 1.00 9.23 H new ATOM 0 HG SER A 52 -22.168 -1.975 11.042 1.00 9.51 H new ATOM 21 N HIS A 53 -19.692 0.530 11.715 1.00 7.28 N ATOM 22 CA HIS A 53 -18.554 1.121 11.039 1.00 6.80 C ATOM 23 C HIS A 53 -18.995 2.407 10.354 1.00 5.91 C ATOM 24 O HIS A 53 -18.713 3.505 10.830 1.00 6.03 O ATOM 25 CB HIS A 53 -17.979 0.132 10.016 1.00 7.25 C ATOM 26 CG HIS A 53 -16.647 0.526 9.458 1.00 7.97 C ATOM 27 ND1 HIS A 53 -16.510 0.969 8.167 1.00 8.46 N ATOM 28 CD2 HIS A 53 -15.428 0.490 10.045 1.00 8.53 C ATOM 29 CE1 HIS A 53 -15.219 1.188 7.997 1.00 9.23 C ATOM 30 NE2 HIS A 53 -14.520 0.910 9.108 1.00 9.30 N ATOM 0 H HIS A 53 -20.451 0.253 11.092 1.00 7.28 H new ATOM 0 HA HIS A 53 -17.774 1.352 11.764 1.00 6.80 H new ATOM 0 HB2 HIS A 53 -17.887 -0.847 10.487 1.00 7.25 H new ATOM 0 HB3 HIS A 53 -18.687 0.025 9.194 1.00 7.25 H new ATOM 0 HD2 HIS A 53 -15.212 0.188 11.059 1.00 8.53 H new ATOM 0 HE1 HIS A 53 -14.780 1.546 7.078 1.00 9.23 H new ATOM 0 HE2 HIS A 53 -13.511 0.995 9.231 1.00 9.30 H new ATOM 38 N MET A 54 -19.722 2.251 9.257 1.00 5.30 N ATOM 39 CA MET A 54 -20.289 3.375 8.531 1.00 4.57 C ATOM 40 C MET A 54 -21.264 2.839 7.492 1.00 4.14 C ATOM 41 O MET A 54 -21.217 1.652 7.158 1.00 4.31 O ATOM 42 CB MET A 54 -19.183 4.198 7.856 1.00 4.58 C ATOM 43 CG MET A 54 -19.649 5.559 7.360 1.00 4.17 C ATOM 44 SD MET A 54 -20.264 6.613 8.690 1.00 4.68 S ATOM 45 CE MET A 54 -20.735 8.077 7.773 1.00 5.36 C ATOM 0 H MET A 54 -19.935 1.342 8.846 1.00 5.30 H new ATOM 0 HA MET A 54 -20.813 4.032 9.225 1.00 4.57 H new ATOM 0 HB2 MET A 54 -18.365 4.339 8.562 1.00 4.58 H new ATOM 0 HB3 MET A 54 -18.783 3.632 7.015 1.00 4.58 H new ATOM 0 HG2 MET A 54 -18.822 6.061 6.858 1.00 4.17 H new ATOM 0 HG3 MET A 54 -20.436 5.421 6.618 1.00 4.17 H new ATOM 0 HE1 MET A 54 -21.216 8.788 8.445 1.00 5.36 H new ATOM 0 HE2 MET A 54 -19.847 8.534 7.336 1.00 5.36 H new ATOM 0 HE3 MET A 54 -21.429 7.801 6.979 1.00 5.36 H new ATOM 55 N GLY A 55 -22.165 3.686 7.020 1.00 4.00 N ATOM 56 CA GLY A 55 -23.090 3.276 5.984 1.00 3.88 C ATOM 57 C GLY A 55 -22.460 3.325 4.604 1.00 3.32 C ATOM 58 O GLY A 55 -21.237 3.397 4.482 1.00 3.61 O ATOM 0 H GLY A 55 -22.273 4.650 7.335 1.00 4.00 H new ATOM 0 HA2 GLY A 55 -23.436 2.263 6.188 1.00 3.88 H new ATOM 0 HA3 GLY A 55 -23.967 3.923 6.005 1.00 3.88 H new ATOM 62 N LYS A 56 -23.300 3.269 3.573 1.00 2.94 N ATOM 63 CA LYS A 56 -22.861 3.342 2.188 1.00 2.69 C ATOM 64 C LYS A 56 -21.866 4.478 1.963 1.00 2.34 C ATOM 65 O LYS A 56 -22.191 5.656 2.143 1.00 2.48 O ATOM 66 CB LYS A 56 -24.080 3.525 1.299 1.00 2.93 C ATOM 67 CG LYS A 56 -24.074 2.611 0.099 1.00 3.20 C ATOM 68 CD LYS A 56 -25.458 2.488 -0.516 1.00 3.88 C ATOM 69 CE LYS A 56 -26.052 3.845 -0.853 1.00 4.35 C ATOM 70 NZ LYS A 56 -27.460 3.732 -1.311 1.00 4.58 N ATOM 0 H LYS A 56 -24.310 3.171 3.679 1.00 2.94 H new ATOM 0 HA LYS A 56 -22.346 2.415 1.938 1.00 2.69 H new ATOM 0 HB2 LYS A 56 -24.981 3.342 1.884 1.00 2.93 H new ATOM 0 HB3 LYS A 56 -24.125 4.560 0.961 1.00 2.93 H new ATOM 0 HG2 LYS A 56 -23.376 2.993 -0.646 1.00 3.20 H new ATOM 0 HG3 LYS A 56 -23.717 1.624 0.394 1.00 3.20 H new ATOM 0 HD2 LYS A 56 -25.401 1.882 -1.420 1.00 3.88 H new ATOM 0 HD3 LYS A 56 -26.118 1.965 0.176 1.00 3.88 H new ATOM 0 HE2 LYS A 56 -26.006 4.490 0.024 1.00 4.35 H new ATOM 0 HE3 LYS A 56 -25.454 4.321 -1.630 1.00 4.35 H new ATOM 0 HZ1 LYS A 56 -27.830 4.678 -1.531 1.00 4.58 H new ATOM 0 HZ2 LYS A 56 -27.501 3.137 -2.163 1.00 4.58 H new ATOM 0 HZ3 LYS A 56 -28.036 3.301 -0.560 1.00 4.58 H new ATOM 84 N LYS A 57 -20.654 4.108 1.572 1.00 2.10 N ATOM 85 CA LYS A 57 -19.567 5.052 1.412 1.00 1.85 C ATOM 86 C LYS A 57 -18.819 4.836 0.109 1.00 1.54 C ATOM 87 O LYS A 57 -18.954 3.796 -0.541 1.00 1.68 O ATOM 88 CB LYS A 57 -18.600 4.941 2.581 1.00 1.99 C ATOM 89 CG LYS A 57 -18.957 5.823 3.761 1.00 1.98 C ATOM 90 CD LYS A 57 -18.884 7.287 3.381 1.00 2.02 C ATOM 91 CE LYS A 57 -19.031 8.193 4.587 1.00 2.40 C ATOM 92 NZ LYS A 57 -18.946 9.627 4.209 1.00 3.04 N ATOM 0 H LYS A 57 -20.401 3.143 1.358 1.00 2.10 H new ATOM 0 HA LYS A 57 -20.003 6.051 1.388 1.00 1.85 H new ATOM 0 HB2 LYS A 57 -18.565 3.903 2.913 1.00 1.99 H new ATOM 0 HB3 LYS A 57 -17.599 5.199 2.237 1.00 1.99 H new ATOM 0 HG2 LYS A 57 -19.962 5.583 4.109 1.00 1.98 H new ATOM 0 HG3 LYS A 57 -18.277 5.623 4.589 1.00 1.98 H new ATOM 0 HD2 LYS A 57 -17.931 7.487 2.891 1.00 2.02 H new ATOM 0 HD3 LYS A 57 -19.668 7.514 2.659 1.00 2.02 H new ATOM 0 HE2 LYS A 57 -19.988 8.001 5.073 1.00 2.40 H new ATOM 0 HE3 LYS A 57 -18.252 7.961 5.314 1.00 2.40 H new ATOM 0 HZ1 LYS A 57 -19.051 10.217 5.059 1.00 3.04 H new ATOM 0 HZ2 LYS A 57 -18.023 9.816 3.768 1.00 3.04 H new ATOM 0 HZ3 LYS A 57 -19.705 9.854 3.535 1.00 3.04 H new ATOM 106 N CYS A 58 -18.057 5.845 -0.275 1.00 1.34 N ATOM 107 CA CYS A 58 -17.209 5.779 -1.445 1.00 1.07 C ATOM 108 C CYS A 58 -15.900 6.515 -1.179 1.00 0.85 C ATOM 109 O CYS A 58 -15.861 7.744 -1.169 1.00 1.07 O ATOM 110 CB CYS A 58 -17.936 6.399 -2.636 1.00 1.26 C ATOM 111 SG CYS A 58 -16.919 6.600 -4.118 1.00 1.99 S ATOM 0 H CYS A 58 -18.011 6.736 0.220 1.00 1.34 H new ATOM 0 HA CYS A 58 -16.981 4.737 -1.672 1.00 1.07 H new ATOM 0 HB2 CYS A 58 -18.796 5.777 -2.883 1.00 1.26 H new ATOM 0 HB3 CYS A 58 -18.322 7.375 -2.341 1.00 1.26 H new ATOM 0 HG CYS A 58 -17.633 7.131 -5.066 1.00 1.99 H new ATOM 117 N TYR A 59 -14.831 5.760 -0.950 1.00 0.57 N ATOM 118 CA TYR A 59 -13.518 6.350 -0.721 1.00 0.44 C ATOM 119 C TYR A 59 -12.570 6.008 -1.856 1.00 0.41 C ATOM 120 O TYR A 59 -11.370 6.255 -1.764 1.00 0.42 O ATOM 121 CB TYR A 59 -12.928 5.890 0.615 1.00 0.66 C ATOM 122 CG TYR A 59 -13.622 6.500 1.798 1.00 0.89 C ATOM 123 CD1 TYR A 59 -14.865 6.049 2.168 1.00 1.04 C ATOM 124 CD2 TYR A 59 -13.045 7.528 2.526 1.00 1.06 C ATOM 125 CE1 TYR A 59 -15.536 6.601 3.239 1.00 1.27 C ATOM 126 CE2 TYR A 59 -13.702 8.090 3.605 1.00 1.30 C ATOM 127 CZ TYR A 59 -14.952 7.623 3.958 1.00 1.34 C ATOM 128 OH TYR A 59 -15.616 8.170 5.033 1.00 1.64 O ATOM 0 H TYR A 59 -14.848 4.741 -0.918 1.00 0.57 H new ATOM 0 HA TYR A 59 -13.645 7.432 -0.683 1.00 0.44 H new ATOM 0 HB2 TYR A 59 -12.994 4.804 0.681 1.00 0.66 H new ATOM 0 HB3 TYR A 59 -11.869 6.148 0.648 1.00 0.66 H new ATOM 0 HD1 TYR A 59 -15.326 5.247 1.610 1.00 1.04 H new ATOM 0 HD2 TYR A 59 -12.069 7.895 2.247 1.00 1.06 H new ATOM 0 HE1 TYR A 59 -16.514 6.235 3.513 1.00 1.27 H new ATOM 0 HE2 TYR A 59 -13.241 8.888 4.167 1.00 1.30 H new ATOM 0 HH TYR A 59 -15.067 8.878 5.431 1.00 1.64 H new ATOM 138 N LYS A 60 -13.138 5.470 -2.933 1.00 0.42 N ATOM 139 CA LYS A 60 -12.364 4.941 -4.054 1.00 0.43 C ATOM 140 C LYS A 60 -11.388 5.981 -4.599 1.00 0.40 C ATOM 141 O LYS A 60 -10.181 5.768 -4.585 1.00 0.41 O ATOM 142 CB LYS A 60 -13.315 4.470 -5.163 1.00 0.52 C ATOM 143 CG LYS A 60 -12.906 3.150 -5.809 1.00 1.16 C ATOM 144 CD LYS A 60 -11.737 3.300 -6.772 1.00 1.35 C ATOM 145 CE LYS A 60 -12.199 3.623 -8.190 1.00 1.75 C ATOM 146 NZ LYS A 60 -12.722 5.011 -8.325 1.00 2.29 N ATOM 0 H LYS A 60 -14.148 5.388 -3.053 1.00 0.42 H new ATOM 0 HA LYS A 60 -11.778 4.095 -3.695 1.00 0.43 H new ATOM 0 HB2 LYS A 60 -14.317 4.365 -4.748 1.00 0.52 H new ATOM 0 HB3 LYS A 60 -13.368 5.239 -5.933 1.00 0.52 H new ATOM 0 HG2 LYS A 60 -12.639 2.437 -5.029 1.00 1.16 H new ATOM 0 HG3 LYS A 60 -13.759 2.733 -6.343 1.00 1.16 H new ATOM 0 HD2 LYS A 60 -11.075 4.091 -6.418 1.00 1.35 H new ATOM 0 HD3 LYS A 60 -11.155 2.378 -6.782 1.00 1.35 H new ATOM 0 HE2 LYS A 60 -11.366 3.485 -8.879 1.00 1.75 H new ATOM 0 HE3 LYS A 60 -12.976 2.917 -8.484 1.00 1.75 H new ATOM 0 HZ1 LYS A 60 -12.814 5.251 -9.333 1.00 2.29 H new ATOM 0 HZ2 LYS A 60 -13.653 5.077 -7.867 1.00 2.29 H new ATOM 0 HZ3 LYS A 60 -12.064 5.676 -7.870 1.00 2.29 H new ATOM 160 N LEU A 61 -11.914 7.116 -5.043 1.00 0.45 N ATOM 161 CA LEU A 61 -11.095 8.164 -5.643 1.00 0.49 C ATOM 162 C LEU A 61 -10.038 8.673 -4.673 1.00 0.38 C ATOM 163 O LEU A 61 -8.931 9.034 -5.079 1.00 0.41 O ATOM 164 CB LEU A 61 -11.966 9.333 -6.093 1.00 0.62 C ATOM 165 CG LEU A 61 -12.935 9.876 -5.038 1.00 0.63 C ATOM 166 CD1 LEU A 61 -13.111 11.368 -5.220 1.00 0.75 C ATOM 167 CD2 LEU A 61 -14.288 9.183 -5.141 1.00 0.81 C ATOM 0 H LEU A 61 -12.909 7.336 -4.999 1.00 0.45 H new ATOM 0 HA LEU A 61 -10.594 7.726 -6.506 1.00 0.49 H new ATOM 0 HB2 LEU A 61 -11.315 10.145 -6.416 1.00 0.62 H new ATOM 0 HB3 LEU A 61 -12.542 9.020 -6.964 1.00 0.62 H new ATOM 0 HG LEU A 61 -12.517 9.677 -4.051 1.00 0.63 H new ATOM 0 HD11 LEU A 61 -13.801 11.748 -4.467 1.00 0.75 H new ATOM 0 HD12 LEU A 61 -12.147 11.864 -5.111 1.00 0.75 H new ATOM 0 HD13 LEU A 61 -13.512 11.569 -6.213 1.00 0.75 H new ATOM 0 HD21 LEU A 61 -14.961 9.584 -4.383 1.00 0.81 H new ATOM 0 HD22 LEU A 61 -14.711 9.357 -6.130 1.00 0.81 H new ATOM 0 HD23 LEU A 61 -14.161 8.112 -4.984 1.00 0.81 H new ATOM 179 N GLU A 62 -10.395 8.726 -3.400 1.00 0.33 N ATOM 180 CA GLU A 62 -9.469 9.143 -2.364 1.00 0.30 C ATOM 181 C GLU A 62 -8.202 8.321 -2.385 1.00 0.26 C ATOM 182 O GLU A 62 -7.118 8.868 -2.524 1.00 0.32 O ATOM 183 CB GLU A 62 -10.126 9.044 -0.992 1.00 0.41 C ATOM 184 CG GLU A 62 -10.967 10.250 -0.668 1.00 0.50 C ATOM 185 CD GLU A 62 -11.574 10.197 0.717 1.00 1.29 C ATOM 186 OE1 GLU A 62 -10.814 10.123 1.707 1.00 1.51 O ATOM 187 OE2 GLU A 62 -12.815 10.232 0.821 1.00 2.00 O ATOM 0 H GLU A 62 -11.325 8.484 -3.060 1.00 0.33 H new ATOM 0 HA GLU A 62 -9.202 10.181 -2.563 1.00 0.30 H new ATOM 0 HB2 GLU A 62 -10.749 8.150 -0.954 1.00 0.41 H new ATOM 0 HB3 GLU A 62 -9.355 8.928 -0.231 1.00 0.41 H new ATOM 0 HG2 GLU A 62 -10.354 11.147 -0.755 1.00 0.50 H new ATOM 0 HG3 GLU A 62 -11.765 10.337 -1.405 1.00 0.50 H new ATOM 194 N ASN A 63 -8.343 7.010 -2.309 1.00 0.24 N ATOM 195 CA ASN A 63 -7.176 6.139 -2.219 1.00 0.23 C ATOM 196 C ASN A 63 -6.471 6.023 -3.558 1.00 0.21 C ATOM 197 O ASN A 63 -5.315 5.616 -3.616 1.00 0.22 O ATOM 198 CB ASN A 63 -7.529 4.751 -1.679 1.00 0.33 C ATOM 199 CG ASN A 63 -8.610 4.042 -2.456 1.00 1.10 C ATOM 200 OD1 ASN A 63 -8.356 3.397 -3.472 1.00 2.24 O ATOM 201 ND2 ASN A 63 -9.819 4.128 -1.949 1.00 0.90 N ATOM 0 H ASN A 63 -9.241 6.526 -2.307 1.00 0.24 H new ATOM 0 HA ASN A 63 -6.494 6.604 -1.507 1.00 0.23 H new ATOM 0 HB2 ASN A 63 -6.631 4.133 -1.681 1.00 0.33 H new ATOM 0 HB3 ASN A 63 -7.847 4.847 -0.641 1.00 0.33 H new ATOM 0 HD21 ASN A 63 -10.597 3.647 -2.401 1.00 0.90 H new ATOM 0 HD22 ASN A 63 -9.980 4.676 -1.104 1.00 0.90 H new ATOM 208 N GLU A 64 -7.157 6.389 -4.626 1.00 0.23 N ATOM 209 CA GLU A 64 -6.540 6.428 -5.934 1.00 0.29 C ATOM 210 C GLU A 64 -5.437 7.472 -5.971 1.00 0.29 C ATOM 211 O GLU A 64 -4.301 7.177 -6.349 1.00 0.35 O ATOM 212 CB GLU A 64 -7.584 6.732 -7.001 1.00 0.38 C ATOM 213 CG GLU A 64 -8.658 5.674 -7.115 1.00 0.41 C ATOM 214 CD GLU A 64 -9.548 5.881 -8.319 1.00 0.56 C ATOM 215 OE1 GLU A 64 -9.203 5.391 -9.412 1.00 0.88 O ATOM 216 OE2 GLU A 64 -10.601 6.539 -8.180 1.00 0.69 O ATOM 0 H GLU A 64 -8.140 6.662 -4.611 1.00 0.23 H new ATOM 0 HA GLU A 64 -6.102 5.451 -6.138 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -8.052 7.690 -6.777 1.00 0.38 H new ATOM 0 HB3 GLU A 64 -7.086 6.838 -7.965 1.00 0.38 H new ATOM 0 HG2 GLU A 64 -8.190 4.691 -7.177 1.00 0.41 H new ATOM 0 HG3 GLU A 64 -9.267 5.680 -6.211 1.00 0.41 H new ATOM 223 N LYS A 65 -5.774 8.690 -5.569 1.00 0.27 N ATOM 224 CA LYS A 65 -4.795 9.760 -5.503 1.00 0.30 C ATOM 225 C LYS A 65 -3.892 9.553 -4.309 1.00 0.23 C ATOM 226 O LYS A 65 -2.702 9.818 -4.350 1.00 0.30 O ATOM 227 CB LYS A 65 -5.471 11.112 -5.395 1.00 0.39 C ATOM 228 CG LYS A 65 -6.567 11.322 -6.406 1.00 0.65 C ATOM 229 CD LYS A 65 -7.071 12.759 -6.415 1.00 1.23 C ATOM 230 CE LYS A 65 -6.114 13.702 -7.146 1.00 2.14 C ATOM 231 NZ LYS A 65 -4.785 13.816 -6.482 1.00 2.98 N ATOM 0 H LYS A 65 -6.716 8.959 -5.285 1.00 0.27 H new ATOM 0 HA LYS A 65 -4.207 9.740 -6.421 1.00 0.30 H new ATOM 0 HB2 LYS A 65 -5.887 11.222 -4.393 1.00 0.39 H new ATOM 0 HB3 LYS A 65 -4.722 11.894 -5.517 1.00 0.39 H new ATOM 0 HG2 LYS A 65 -6.199 11.061 -7.398 1.00 0.65 H new ATOM 0 HG3 LYS A 65 -7.396 10.649 -6.186 1.00 0.65 H new ATOM 0 HD2 LYS A 65 -8.050 12.796 -6.893 1.00 1.23 H new ATOM 0 HD3 LYS A 65 -7.204 13.102 -5.389 1.00 1.23 H new ATOM 0 HE2 LYS A 65 -5.974 13.348 -8.167 1.00 2.14 H new ATOM 0 HE3 LYS A 65 -6.567 14.691 -7.211 1.00 2.14 H new ATOM 0 HZ1 LYS A 65 -4.379 14.754 -6.676 1.00 2.98 H new ATOM 0 HZ2 LYS A 65 -4.898 13.694 -5.455 1.00 2.98 H new ATOM 0 HZ3 LYS A 65 -4.149 13.080 -6.850 1.00 2.98 H new ATOM 245 N LEU A 66 -4.484 9.070 -3.242 1.00 0.16 N ATOM 246 CA LEU A 66 -3.769 8.827 -2.007 1.00 0.15 C ATOM 247 C LEU A 66 -2.608 7.857 -2.195 1.00 0.15 C ATOM 248 O LEU A 66 -1.482 8.135 -1.778 1.00 0.18 O ATOM 249 CB LEU A 66 -4.740 8.282 -0.980 1.00 0.15 C ATOM 250 CG LEU A 66 -4.876 9.138 0.249 1.00 0.20 C ATOM 251 CD1 LEU A 66 -6.148 8.793 1.003 1.00 0.24 C ATOM 252 CD2 LEU A 66 -3.642 8.945 1.098 1.00 0.22 C ATOM 0 H LEU A 66 -5.475 8.834 -3.204 1.00 0.16 H new ATOM 0 HA LEU A 66 -3.343 9.771 -1.667 1.00 0.15 H new ATOM 0 HB2 LEU A 66 -5.720 8.173 -1.444 1.00 0.15 H new ATOM 0 HB3 LEU A 66 -4.416 7.285 -0.682 1.00 0.15 H new ATOM 0 HG LEU A 66 -4.955 10.190 -0.026 1.00 0.20 H new ATOM 0 HD11 LEU A 66 -6.228 9.423 1.889 1.00 0.24 H new ATOM 0 HD12 LEU A 66 -7.010 8.962 0.358 1.00 0.24 H new ATOM 0 HD13 LEU A 66 -6.120 7.746 1.304 1.00 0.24 H new ATOM 0 HD21 LEU A 66 -3.719 9.557 1.996 1.00 0.22 H new ATOM 0 HD22 LEU A 66 -3.555 7.896 1.380 1.00 0.22 H new ATOM 0 HD23 LEU A 66 -2.760 9.242 0.531 1.00 0.22 H new ATOM 264 N PHE A 67 -2.895 6.714 -2.798 1.00 0.14 N ATOM 265 CA PHE A 67 -1.880 5.712 -3.068 1.00 0.15 C ATOM 266 C PHE A 67 -0.719 6.299 -3.869 1.00 0.17 C ATOM 267 O PHE A 67 0.445 6.028 -3.575 1.00 0.20 O ATOM 268 CB PHE A 67 -2.495 4.533 -3.821 1.00 0.15 C ATOM 269 CG PHE A 67 -1.787 3.250 -3.554 1.00 0.16 C ATOM 270 CD1 PHE A 67 -2.184 2.461 -2.498 1.00 0.17 C ATOM 271 CD2 PHE A 67 -0.727 2.839 -4.339 1.00 0.17 C ATOM 272 CE1 PHE A 67 -1.542 1.275 -2.223 1.00 0.18 C ATOM 273 CE2 PHE A 67 -0.076 1.651 -4.073 1.00 0.19 C ATOM 274 CZ PHE A 67 -0.484 0.866 -3.011 1.00 0.19 C ATOM 0 H PHE A 67 -3.831 6.457 -3.111 1.00 0.14 H new ATOM 0 HA PHE A 67 -1.487 5.364 -2.113 1.00 0.15 H new ATOM 0 HB2 PHE A 67 -3.542 4.432 -3.537 1.00 0.15 H new ATOM 0 HB3 PHE A 67 -2.474 4.739 -4.891 1.00 0.15 H new ATOM 0 HD1 PHE A 67 -3.010 2.777 -1.877 1.00 0.17 H new ATOM 0 HD2 PHE A 67 -0.405 3.452 -5.168 1.00 0.17 H new ATOM 0 HE1 PHE A 67 -1.865 0.665 -1.392 1.00 0.18 H new ATOM 0 HE2 PHE A 67 0.750 1.336 -4.693 1.00 0.19 H new ATOM 0 HZ PHE A 67 0.023 -0.064 -2.798 1.00 0.19 H new ATOM 284 N GLU A 68 -1.030 7.118 -4.868 1.00 0.18 N ATOM 285 CA GLU A 68 0.013 7.712 -5.691 1.00 0.23 C ATOM 286 C GLU A 68 0.772 8.793 -4.929 1.00 0.19 C ATOM 287 O GLU A 68 1.947 9.007 -5.199 1.00 0.24 O ATOM 288 CB GLU A 68 -0.545 8.234 -7.022 1.00 0.40 C ATOM 289 CG GLU A 68 -1.602 9.289 -6.879 1.00 0.54 C ATOM 290 CD GLU A 68 -1.096 10.715 -7.026 1.00 1.13 C ATOM 291 OE1 GLU A 68 0.129 10.921 -7.097 1.00 1.81 O ATOM 292 OE2 GLU A 68 -1.936 11.640 -7.088 1.00 1.39 O ATOM 0 H GLU A 68 -1.982 7.382 -5.124 1.00 0.18 H new ATOM 0 HA GLU A 68 0.728 6.926 -5.934 1.00 0.23 H new ATOM 0 HB2 GLU A 68 0.277 8.638 -7.613 1.00 0.40 H new ATOM 0 HB3 GLU A 68 -0.959 7.396 -7.582 1.00 0.40 H new ATOM 0 HG2 GLU A 68 -2.376 9.113 -7.626 1.00 0.54 H new ATOM 0 HG3 GLU A 68 -2.073 9.183 -5.902 1.00 0.54 H new ATOM 299 N GLU A 69 0.127 9.449 -3.954 1.00 0.19 N ATOM 300 CA GLU A 69 0.834 10.426 -3.116 1.00 0.22 C ATOM 301 C GLU A 69 2.050 9.767 -2.472 1.00 0.20 C ATOM 302 O GLU A 69 3.128 10.357 -2.370 1.00 0.28 O ATOM 303 CB GLU A 69 -0.066 11.004 -2.020 1.00 0.26 C ATOM 304 CG GLU A 69 -1.343 11.618 -2.548 1.00 0.34 C ATOM 305 CD GLU A 69 -1.944 12.648 -1.616 1.00 1.02 C ATOM 306 OE1 GLU A 69 -1.534 13.827 -1.671 1.00 1.31 O ATOM 307 OE2 GLU A 69 -2.824 12.272 -0.809 1.00 1.78 O ATOM 0 H GLU A 69 -0.860 9.325 -3.730 1.00 0.19 H new ATOM 0 HA GLU A 69 1.144 11.247 -3.763 1.00 0.22 H new ATOM 0 HB2 GLU A 69 -0.318 10.213 -1.313 1.00 0.26 H new ATOM 0 HB3 GLU A 69 0.490 11.761 -1.467 1.00 0.26 H new ATOM 0 HG2 GLU A 69 -1.142 12.085 -3.512 1.00 0.34 H new ATOM 0 HG3 GLU A 69 -2.073 10.827 -2.723 1.00 0.34 H new ATOM 314 N PHE A 70 1.850 8.526 -2.054 1.00 0.15 N ATOM 315 CA PHE A 70 2.901 7.705 -1.474 1.00 0.13 C ATOM 316 C PHE A 70 3.935 7.333 -2.532 1.00 0.13 C ATOM 317 O PHE A 70 5.136 7.407 -2.298 1.00 0.14 O ATOM 318 CB PHE A 70 2.261 6.445 -0.890 1.00 0.12 C ATOM 319 CG PHE A 70 3.168 5.617 -0.028 1.00 0.11 C ATOM 320 CD1 PHE A 70 4.327 5.078 -0.541 1.00 0.11 C ATOM 321 CD2 PHE A 70 2.832 5.347 1.282 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.142 4.284 0.232 1.00 0.11 C ATOM 323 CE2 PHE A 70 3.645 4.557 2.072 1.00 0.11 C ATOM 324 CZ PHE A 70 4.802 4.021 1.543 1.00 0.11 C ATOM 0 H PHE A 70 0.946 8.057 -2.109 1.00 0.15 H new ATOM 0 HA PHE A 70 3.413 8.261 -0.689 1.00 0.13 H new ATOM 0 HB2 PHE A 70 1.391 6.736 -0.302 1.00 0.12 H new ATOM 0 HB3 PHE A 70 1.898 5.826 -1.710 1.00 0.12 H new ATOM 0 HD1 PHE A 70 4.600 5.282 -1.566 1.00 0.11 H new ATOM 0 HD2 PHE A 70 1.923 5.758 1.695 1.00 0.11 H new ATOM 0 HE1 PHE A 70 6.046 3.867 -0.187 1.00 0.11 H new ATOM 0 HE2 PHE A 70 3.376 4.360 3.099 1.00 0.11 H new ATOM 0 HZ PHE A 70 5.439 3.398 2.153 1.00 0.11 H new ATOM 334 N LEU A 71 3.454 6.952 -3.699 1.00 0.14 N ATOM 335 CA LEU A 71 4.302 6.452 -4.765 1.00 0.15 C ATOM 336 C LEU A 71 5.178 7.528 -5.364 1.00 0.16 C ATOM 337 O LEU A 71 6.351 7.302 -5.659 1.00 0.18 O ATOM 338 CB LEU A 71 3.415 5.865 -5.829 1.00 0.17 C ATOM 339 CG LEU A 71 2.735 4.589 -5.402 1.00 0.18 C ATOM 340 CD1 LEU A 71 1.822 4.105 -6.493 1.00 0.22 C ATOM 341 CD2 LEU A 71 3.787 3.560 -5.070 1.00 0.16 C ATOM 0 H LEU A 71 2.462 6.980 -3.936 1.00 0.14 H new ATOM 0 HA LEU A 71 4.973 5.700 -4.349 1.00 0.15 H new ATOM 0 HB2 LEU A 71 2.657 6.598 -6.105 1.00 0.17 H new ATOM 0 HB3 LEU A 71 4.010 5.670 -6.721 1.00 0.17 H new ATOM 0 HG LEU A 71 2.127 4.766 -4.515 1.00 0.18 H new ATOM 0 HD11 LEU A 71 1.334 3.183 -6.177 1.00 0.22 H new ATOM 0 HD12 LEU A 71 1.066 4.863 -6.698 1.00 0.22 H new ATOM 0 HD13 LEU A 71 2.402 3.917 -7.396 1.00 0.22 H new ATOM 0 HD21 LEU A 71 3.304 2.633 -4.760 1.00 0.16 H new ATOM 0 HD22 LEU A 71 4.402 3.372 -5.950 1.00 0.16 H new ATOM 0 HD23 LEU A 71 4.415 3.930 -4.260 1.00 0.16 H new ATOM 353 N GLU A 72 4.596 8.684 -5.561 1.00 0.16 N ATOM 354 CA GLU A 72 5.314 9.825 -6.083 1.00 0.19 C ATOM 355 C GLU A 72 6.393 10.242 -5.101 1.00 0.18 C ATOM 356 O GLU A 72 7.461 10.714 -5.485 1.00 0.21 O ATOM 357 CB GLU A 72 4.322 10.933 -6.372 1.00 0.24 C ATOM 358 CG GLU A 72 3.278 10.496 -7.385 1.00 0.29 C ATOM 359 CD GLU A 72 3.809 10.504 -8.801 1.00 0.73 C ATOM 360 OE1 GLU A 72 3.882 11.589 -9.410 1.00 1.21 O ATOM 361 OE2 GLU A 72 4.160 9.417 -9.311 1.00 1.17 O ATOM 0 H GLU A 72 3.611 8.863 -5.365 1.00 0.16 H new ATOM 0 HA GLU A 72 5.817 9.577 -7.017 1.00 0.19 H new ATOM 0 HB2 GLU A 72 3.830 11.232 -5.447 1.00 0.24 H new ATOM 0 HB3 GLU A 72 4.852 11.808 -6.749 1.00 0.24 H new ATOM 0 HG2 GLU A 72 2.931 9.493 -7.136 1.00 0.29 H new ATOM 0 HG3 GLU A 72 2.414 11.157 -7.320 1.00 0.29 H new ATOM 368 N LEU A 73 6.107 10.030 -3.828 1.00 0.16 N ATOM 369 CA LEU A 73 7.094 10.170 -2.786 1.00 0.16 C ATOM 370 C LEU A 73 8.120 9.045 -2.891 1.00 0.15 C ATOM 371 O LEU A 73 9.321 9.281 -2.788 1.00 0.18 O ATOM 372 CB LEU A 73 6.395 10.125 -1.432 1.00 0.16 C ATOM 373 CG LEU A 73 7.294 9.860 -0.235 1.00 0.16 C ATOM 374 CD1 LEU A 73 7.576 11.143 0.528 1.00 0.23 C ATOM 375 CD2 LEU A 73 6.650 8.819 0.657 1.00 0.16 C ATOM 0 H LEU A 73 5.183 9.756 -3.494 1.00 0.16 H new ATOM 0 HA LEU A 73 7.613 11.122 -2.893 1.00 0.16 H new ATOM 0 HB2 LEU A 73 5.884 11.075 -1.276 1.00 0.16 H new ATOM 0 HB3 LEU A 73 5.628 9.352 -1.465 1.00 0.16 H new ATOM 0 HG LEU A 73 8.253 9.477 -0.586 1.00 0.16 H new ATOM 0 HD11 LEU A 73 8.221 10.926 1.379 1.00 0.23 H new ATOM 0 HD12 LEU A 73 8.072 11.856 -0.130 1.00 0.23 H new ATOM 0 HD13 LEU A 73 6.638 11.569 0.883 1.00 0.23 H new ATOM 0 HD21 LEU A 73 7.293 8.628 1.516 1.00 0.16 H new ATOM 0 HD22 LEU A 73 5.683 9.184 1.002 1.00 0.16 H new ATOM 0 HD23 LEU A 73 6.510 7.895 0.096 1.00 0.16 H new ATOM 387 N CYS A 74 7.636 7.824 -3.127 1.00 0.13 N ATOM 388 CA CYS A 74 8.495 6.656 -3.218 1.00 0.13 C ATOM 389 C CYS A 74 9.506 6.816 -4.355 1.00 0.15 C ATOM 390 O CYS A 74 10.649 6.401 -4.226 1.00 0.18 O ATOM 391 CB CYS A 74 7.642 5.403 -3.421 1.00 0.16 C ATOM 392 SG CYS A 74 8.529 3.851 -3.190 1.00 0.50 S ATOM 0 H CYS A 74 6.644 7.624 -3.259 1.00 0.13 H new ATOM 0 HA CYS A 74 9.054 6.554 -2.288 1.00 0.13 H new ATOM 0 HB2 CYS A 74 6.802 5.434 -2.727 1.00 0.16 H new ATOM 0 HB3 CYS A 74 7.224 5.422 -4.428 1.00 0.16 H new ATOM 0 HG CYS A 74 9.783 4.020 -3.487 1.00 0.50 H new ATOM 398 N LYS A 75 9.086 7.442 -5.456 1.00 0.18 N ATOM 399 CA LYS A 75 9.979 7.735 -6.566 1.00 0.22 C ATOM 400 C LYS A 75 11.198 8.542 -6.126 1.00 0.22 C ATOM 401 O LYS A 75 12.270 8.442 -6.725 1.00 0.26 O ATOM 402 CB LYS A 75 9.246 8.505 -7.646 1.00 0.28 C ATOM 403 CG LYS A 75 9.006 7.647 -8.852 1.00 0.57 C ATOM 404 CD LYS A 75 7.795 6.764 -8.675 1.00 0.61 C ATOM 405 CE LYS A 75 6.499 7.540 -8.835 1.00 0.38 C ATOM 406 NZ LYS A 75 6.345 8.116 -10.197 1.00 0.96 N ATOM 0 H LYS A 75 8.126 7.755 -5.598 1.00 0.18 H new ATOM 0 HA LYS A 75 10.322 6.776 -6.955 1.00 0.22 H new ATOM 0 HB2 LYS A 75 8.294 8.866 -7.257 1.00 0.28 H new ATOM 0 HB3 LYS A 75 9.827 9.382 -7.930 1.00 0.28 H new ATOM 0 HG2 LYS A 75 8.870 8.281 -9.728 1.00 0.57 H new ATOM 0 HG3 LYS A 75 9.884 7.028 -9.039 1.00 0.57 H new ATOM 0 HD2 LYS A 75 7.826 5.955 -9.405 1.00 0.61 H new ATOM 0 HD3 LYS A 75 7.823 6.304 -7.687 1.00 0.61 H new ATOM 0 HE2 LYS A 75 5.656 6.881 -8.625 1.00 0.38 H new ATOM 0 HE3 LYS A 75 6.467 8.343 -8.099 1.00 0.38 H new ATOM 0 HZ1 LYS A 75 5.423 8.592 -10.270 1.00 0.96 H new ATOM 0 HZ2 LYS A 75 7.105 8.804 -10.371 1.00 0.96 H new ATOM 0 HZ3 LYS A 75 6.399 7.355 -10.904 1.00 0.96 H new ATOM 420 N MET A 76 11.027 9.334 -5.074 1.00 0.22 N ATOM 421 CA MET A 76 12.084 10.211 -4.596 1.00 0.26 C ATOM 422 C MET A 76 12.930 9.463 -3.586 1.00 0.25 C ATOM 423 O MET A 76 14.143 9.638 -3.502 1.00 0.32 O ATOM 424 CB MET A 76 11.500 11.462 -3.921 1.00 0.29 C ATOM 425 CG MET A 76 10.301 12.062 -4.628 1.00 0.27 C ATOM 426 SD MET A 76 9.758 13.614 -3.883 1.00 0.32 S ATOM 427 CE MET A 76 9.405 13.081 -2.209 1.00 0.35 C ATOM 0 H MET A 76 10.162 9.385 -4.535 1.00 0.22 H new ATOM 0 HA MET A 76 12.686 10.522 -5.450 1.00 0.26 H new ATOM 0 HB2 MET A 76 11.213 11.207 -2.901 1.00 0.29 H new ATOM 0 HB3 MET A 76 12.281 12.219 -3.853 1.00 0.29 H new ATOM 0 HG2 MET A 76 10.550 12.234 -5.675 1.00 0.27 H new ATOM 0 HG3 MET A 76 9.478 11.347 -4.609 1.00 0.27 H new ATOM 0 HE1 MET A 76 8.394 13.383 -1.937 1.00 0.35 H new ATOM 0 HE2 MET A 76 9.489 11.996 -2.147 1.00 0.35 H new ATOM 0 HE3 MET A 76 10.117 13.540 -1.523 1.00 0.35 H new ATOM 437 N GLN A 77 12.259 8.615 -2.828 1.00 0.21 N ATOM 438 CA GLN A 77 12.878 7.900 -1.734 1.00 0.22 C ATOM 439 C GLN A 77 13.609 6.666 -2.245 1.00 0.21 C ATOM 440 O GLN A 77 14.823 6.536 -2.088 1.00 0.24 O ATOM 441 CB GLN A 77 11.800 7.475 -0.742 1.00 0.23 C ATOM 442 CG GLN A 77 10.866 8.588 -0.291 1.00 0.30 C ATOM 443 CD GLN A 77 11.496 9.579 0.662 1.00 0.52 C ATOM 444 OE1 GLN A 77 12.698 9.845 0.617 1.00 0.98 O ATOM 445 NE2 GLN A 77 10.674 10.132 1.538 1.00 0.48 N ATOM 0 H GLN A 77 11.269 8.405 -2.956 1.00 0.21 H new ATOM 0 HA GLN A 77 13.600 8.556 -1.247 1.00 0.22 H new ATOM 0 HB2 GLN A 77 11.204 6.682 -1.194 1.00 0.23 H new ATOM 0 HB3 GLN A 77 12.284 7.049 0.137 1.00 0.23 H new ATOM 0 HG2 GLN A 77 10.507 9.124 -1.170 1.00 0.30 H new ATOM 0 HG3 GLN A 77 9.994 8.143 0.189 1.00 0.30 H new ATOM 0 HE21 GLN A 77 9.685 9.881 1.538 1.00 0.48 H new ATOM 0 HE22 GLN A 77 11.029 10.809 2.213 1.00 0.48 H new ATOM 454 N THR A 78 12.866 5.776 -2.885 1.00 0.18 N ATOM 455 CA THR A 78 13.431 4.569 -3.447 1.00 0.20 C ATOM 456 C THR A 78 13.905 4.853 -4.859 1.00 0.22 C ATOM 457 O THR A 78 13.610 4.117 -5.793 1.00 0.24 O ATOM 458 CB THR A 78 12.397 3.425 -3.460 1.00 0.20 C ATOM 459 OG1 THR A 78 11.316 3.737 -4.348 1.00 0.56 O ATOM 460 CG2 THR A 78 11.842 3.191 -2.069 1.00 0.42 C ATOM 0 H THR A 78 11.861 5.873 -3.026 1.00 0.18 H new ATOM 0 HA THR A 78 14.271 4.255 -2.828 1.00 0.20 H new ATOM 0 HB THR A 78 12.901 2.522 -3.804 1.00 0.20 H new ATOM 0 HG1 THR A 78 11.196 4.709 -4.389 1.00 0.56 H new ATOM 0 HG21 THR A 78 11.114 2.380 -2.099 1.00 0.42 H new ATOM 0 HG22 THR A 78 12.655 2.924 -1.393 1.00 0.42 H new ATOM 0 HG23 THR A 78 11.358 4.100 -1.713 1.00 0.42 H new ATOM 468 N ALA A 79 14.635 5.942 -5.003 1.00 0.25 N ATOM 469 CA ALA A 79 15.117 6.376 -6.296 1.00 0.30 C ATOM 470 C ALA A 79 16.129 5.385 -6.859 1.00 0.34 C ATOM 471 O ALA A 79 16.265 5.237 -8.076 1.00 0.42 O ATOM 472 CB ALA A 79 15.714 7.761 -6.170 1.00 0.32 C ATOM 0 H ALA A 79 14.909 6.547 -4.229 1.00 0.25 H new ATOM 0 HA ALA A 79 14.282 6.416 -6.996 1.00 0.30 H new ATOM 0 HB1 ALA A 79 16.078 8.090 -7.143 1.00 0.32 H new ATOM 0 HB2 ALA A 79 14.952 8.455 -5.814 1.00 0.32 H new ATOM 0 HB3 ALA A 79 16.542 7.737 -5.462 1.00 0.32 H new ATOM 478 N ASP A 80 16.823 4.697 -5.958 1.00 0.35 N ATOM 479 CA ASP A 80 17.788 3.671 -6.341 1.00 0.44 C ATOM 480 C ASP A 80 17.086 2.330 -6.549 1.00 0.38 C ATOM 481 O ASP A 80 17.640 1.402 -7.137 1.00 0.44 O ATOM 482 CB ASP A 80 18.872 3.538 -5.269 1.00 0.59 C ATOM 483 CG ASP A 80 19.995 2.611 -5.687 1.00 1.31 C ATOM 484 OD1 ASP A 80 20.778 2.992 -6.579 1.00 2.29 O ATOM 485 OD2 ASP A 80 20.115 1.510 -5.110 1.00 1.68 O ATOM 0 H ASP A 80 16.734 4.832 -4.951 1.00 0.35 H new ATOM 0 HA ASP A 80 18.256 3.968 -7.280 1.00 0.44 H new ATOM 0 HB2 ASP A 80 19.282 4.523 -5.049 1.00 0.59 H new ATOM 0 HB3 ASP A 80 18.423 3.166 -4.348 1.00 0.59 H new ATOM 490 N HIS A 81 15.852 2.240 -6.073 1.00 0.35 N ATOM 491 CA HIS A 81 15.052 1.030 -6.238 1.00 0.39 C ATOM 492 C HIS A 81 13.658 1.370 -6.742 1.00 0.34 C ATOM 493 O HIS A 81 12.686 1.294 -5.990 1.00 0.30 O ATOM 494 CB HIS A 81 14.933 0.241 -4.927 1.00 0.49 C ATOM 495 CG HIS A 81 16.174 -0.503 -4.546 1.00 0.86 C ATOM 496 ND1 HIS A 81 16.564 -1.675 -5.157 1.00 2.02 N ATOM 497 CD2 HIS A 81 17.118 -0.235 -3.617 1.00 0.60 C ATOM 498 CE1 HIS A 81 17.692 -2.092 -4.619 1.00 2.11 C ATOM 499 NE2 HIS A 81 18.054 -1.236 -3.683 1.00 1.12 N ATOM 0 H HIS A 81 15.381 2.991 -5.568 1.00 0.35 H new ATOM 0 HA HIS A 81 15.567 0.409 -6.971 1.00 0.39 H new ATOM 0 HB2 HIS A 81 14.674 0.930 -4.123 1.00 0.49 H new ATOM 0 HB3 HIS A 81 14.110 -0.468 -5.016 1.00 0.49 H new ATOM 0 HD1 HIS A 81 16.059 -2.146 -5.908 1.00 2.02 H new ATOM 0 HD2 HIS A 81 17.133 0.611 -2.946 1.00 0.60 H new ATOM 0 HE1 HIS A 81 18.230 -2.986 -4.898 1.00 2.11 H new ATOM 508 N PRO A 82 13.530 1.741 -8.027 1.00 0.39 N ATOM 509 CA PRO A 82 12.236 2.070 -8.635 1.00 0.39 C ATOM 510 C PRO A 82 11.374 0.830 -8.869 1.00 0.35 C ATOM 511 O PRO A 82 10.536 0.800 -9.765 1.00 0.39 O ATOM 512 CB PRO A 82 12.634 2.710 -9.961 1.00 0.50 C ATOM 513 CG PRO A 82 13.930 2.078 -10.304 1.00 0.53 C ATOM 514 CD PRO A 82 14.635 1.878 -8.998 1.00 0.48 C ATOM 0 HA PRO A 82 11.630 2.715 -7.999 1.00 0.39 H new ATOM 0 HB2 PRO A 82 11.886 2.525 -10.732 1.00 0.50 H new ATOM 0 HB3 PRO A 82 12.733 3.791 -9.866 1.00 0.50 H new ATOM 0 HG2 PRO A 82 13.780 1.129 -10.818 1.00 0.53 H new ATOM 0 HG3 PRO A 82 14.512 2.714 -10.971 1.00 0.53 H new ATOM 0 HD2 PRO A 82 15.267 0.990 -9.015 1.00 0.48 H new ATOM 0 HD3 PRO A 82 15.279 2.723 -8.756 1.00 0.48 H new ATOM 522 N GLU A 83 11.610 -0.189 -8.060 1.00 0.29 N ATOM 523 CA GLU A 83 10.866 -1.435 -8.122 1.00 0.26 C ATOM 524 C GLU A 83 9.639 -1.351 -7.221 1.00 0.19 C ATOM 525 O GLU A 83 8.579 -1.888 -7.535 1.00 0.22 O ATOM 526 CB GLU A 83 11.766 -2.582 -7.662 1.00 0.33 C ATOM 527 CG GLU A 83 13.143 -2.571 -8.307 1.00 0.49 C ATOM 528 CD GLU A 83 14.109 -3.519 -7.629 1.00 1.32 C ATOM 529 OE1 GLU A 83 13.913 -4.748 -7.729 1.00 1.72 O ATOM 530 OE2 GLU A 83 15.070 -3.035 -6.983 1.00 2.05 O ATOM 0 H GLU A 83 12.329 -0.174 -7.336 1.00 0.29 H new ATOM 0 HA GLU A 83 10.541 -1.613 -9.147 1.00 0.26 H new ATOM 0 HB2 GLU A 83 11.881 -2.531 -6.579 1.00 0.33 H new ATOM 0 HB3 GLU A 83 11.276 -3.530 -7.886 1.00 0.33 H new ATOM 0 HG2 GLU A 83 13.050 -2.843 -9.358 1.00 0.49 H new ATOM 0 HG3 GLU A 83 13.548 -1.560 -8.274 1.00 0.49 H new ATOM 537 N VAL A 84 9.814 -0.654 -6.100 1.00 0.15 N ATOM 538 CA VAL A 84 8.782 -0.504 -5.078 1.00 0.11 C ATOM 539 C VAL A 84 7.481 0.054 -5.644 1.00 0.11 C ATOM 540 O VAL A 84 6.415 -0.540 -5.499 1.00 0.13 O ATOM 541 CB VAL A 84 9.250 0.485 -4.003 1.00 0.11 C ATOM 542 CG1 VAL A 84 8.272 0.484 -2.856 1.00 0.13 C ATOM 543 CG2 VAL A 84 10.662 0.176 -3.532 1.00 0.14 C ATOM 0 H VAL A 84 10.685 -0.173 -5.874 1.00 0.15 H new ATOM 0 HA VAL A 84 8.608 -1.500 -4.672 1.00 0.11 H new ATOM 0 HB VAL A 84 9.280 1.484 -4.438 1.00 0.11 H new ATOM 0 HG11 VAL A 84 8.606 1.187 -2.093 1.00 0.13 H new ATOM 0 HG12 VAL A 84 7.287 0.781 -3.217 1.00 0.13 H new ATOM 0 HG13 VAL A 84 8.215 -0.517 -2.427 1.00 0.13 H new ATOM 0 HG21 VAL A 84 10.958 0.898 -2.771 1.00 0.14 H new ATOM 0 HG22 VAL A 84 10.693 -0.829 -3.111 1.00 0.14 H new ATOM 0 HG23 VAL A 84 11.349 0.237 -4.376 1.00 0.14 H new ATOM 553 N VAL A 85 7.602 1.213 -6.270 1.00 0.11 N ATOM 554 CA VAL A 85 6.463 1.955 -6.811 1.00 0.13 C ATOM 555 C VAL A 85 5.592 1.091 -7.732 1.00 0.15 C ATOM 556 O VAL A 85 4.396 0.944 -7.478 1.00 0.16 O ATOM 557 CB VAL A 85 6.958 3.216 -7.552 1.00 0.15 C ATOM 558 CG1 VAL A 85 5.810 4.135 -7.920 1.00 0.18 C ATOM 559 CG2 VAL A 85 7.979 3.946 -6.701 1.00 0.15 C ATOM 0 H VAL A 85 8.499 1.674 -6.421 1.00 0.11 H new ATOM 0 HA VAL A 85 5.835 2.255 -5.972 1.00 0.13 H new ATOM 0 HB VAL A 85 7.430 2.900 -8.483 1.00 0.15 H new ATOM 0 HG11 VAL A 85 6.198 5.011 -8.440 1.00 0.18 H new ATOM 0 HG12 VAL A 85 5.114 3.605 -8.571 1.00 0.18 H new ATOM 0 HG13 VAL A 85 5.292 4.450 -7.014 1.00 0.18 H new ATOM 0 HG21 VAL A 85 8.324 4.835 -7.229 1.00 0.15 H new ATOM 0 HG22 VAL A 85 7.522 4.240 -5.756 1.00 0.15 H new ATOM 0 HG23 VAL A 85 8.826 3.289 -6.505 1.00 0.15 H new ATOM 569 N PRO A 86 6.157 0.494 -8.803 1.00 0.17 N ATOM 570 CA PRO A 86 5.399 -0.407 -9.680 1.00 0.20 C ATOM 571 C PRO A 86 4.845 -1.618 -8.931 1.00 0.18 C ATOM 572 O PRO A 86 3.783 -2.137 -9.271 1.00 0.20 O ATOM 573 CB PRO A 86 6.420 -0.858 -10.726 1.00 0.23 C ATOM 574 CG PRO A 86 7.507 0.156 -10.679 1.00 0.22 C ATOM 575 CD PRO A 86 7.546 0.663 -9.267 1.00 0.17 C ATOM 0 HA PRO A 86 4.530 0.094 -10.107 1.00 0.20 H new ATOM 0 HB2 PRO A 86 6.801 -1.854 -10.499 1.00 0.23 H new ATOM 0 HB3 PRO A 86 5.971 -0.907 -11.718 1.00 0.23 H new ATOM 0 HG2 PRO A 86 8.463 -0.285 -10.961 1.00 0.22 H new ATOM 0 HG3 PRO A 86 7.312 0.968 -11.379 1.00 0.22 H new ATOM 0 HD2 PRO A 86 8.246 0.094 -8.655 1.00 0.17 H new ATOM 0 HD3 PRO A 86 7.860 1.706 -9.223 1.00 0.17 H new ATOM 583 N PHE A 87 5.568 -2.063 -7.909 1.00 0.16 N ATOM 584 CA PHE A 87 5.133 -3.195 -7.106 1.00 0.15 C ATOM 585 C PHE A 87 3.894 -2.830 -6.292 1.00 0.14 C ATOM 586 O PHE A 87 2.916 -3.582 -6.271 1.00 0.16 O ATOM 587 CB PHE A 87 6.258 -3.680 -6.195 1.00 0.17 C ATOM 588 CG PHE A 87 5.931 -4.948 -5.463 1.00 0.21 C ATOM 589 CD1 PHE A 87 5.110 -5.886 -6.044 1.00 0.44 C ATOM 590 CD2 PHE A 87 6.450 -5.201 -4.201 1.00 0.21 C ATOM 591 CE1 PHE A 87 4.804 -7.061 -5.391 1.00 0.52 C ATOM 592 CE2 PHE A 87 6.148 -6.375 -3.538 1.00 0.25 C ATOM 593 CZ PHE A 87 5.329 -7.279 -4.084 1.00 0.38 C ATOM 0 H PHE A 87 6.457 -1.656 -7.619 1.00 0.16 H new ATOM 0 HA PHE A 87 4.871 -4.011 -7.780 1.00 0.15 H new ATOM 0 HB2 PHE A 87 7.157 -3.836 -6.792 1.00 0.17 H new ATOM 0 HB3 PHE A 87 6.489 -2.900 -5.469 1.00 0.17 H new ATOM 0 HD1 PHE A 87 4.699 -5.700 -7.025 1.00 0.44 H new ATOM 0 HD2 PHE A 87 7.096 -4.473 -3.733 1.00 0.21 H new ATOM 0 HE1 PHE A 87 4.177 -7.804 -5.862 1.00 0.52 H new ATOM 0 HE2 PHE A 87 6.579 -6.565 -2.566 1.00 0.25 H new ATOM 0 HZ PHE A 87 5.066 -8.172 -3.537 1.00 0.38 H new ATOM 603 N LEU A 88 3.925 -1.672 -5.635 1.00 0.12 N ATOM 604 CA LEU A 88 2.758 -1.182 -4.912 1.00 0.13 C ATOM 605 C LEU A 88 1.576 -1.019 -5.859 1.00 0.14 C ATOM 606 O LEU A 88 0.457 -1.429 -5.546 1.00 0.16 O ATOM 607 CB LEU A 88 3.057 0.148 -4.218 1.00 0.13 C ATOM 608 CG LEU A 88 4.000 0.071 -3.024 1.00 0.12 C ATOM 609 CD1 LEU A 88 4.006 1.401 -2.281 1.00 0.16 C ATOM 610 CD2 LEU A 88 3.588 -1.067 -2.098 1.00 0.20 C ATOM 0 H LEU A 88 4.740 -1.061 -5.590 1.00 0.12 H new ATOM 0 HA LEU A 88 2.505 -1.918 -4.149 1.00 0.13 H new ATOM 0 HB2 LEU A 88 3.484 0.832 -4.952 1.00 0.13 H new ATOM 0 HB3 LEU A 88 2.115 0.584 -3.886 1.00 0.13 H new ATOM 0 HG LEU A 88 5.010 -0.131 -3.380 1.00 0.12 H new ATOM 0 HD11 LEU A 88 4.682 1.338 -1.429 1.00 0.16 H new ATOM 0 HD12 LEU A 88 4.341 2.191 -2.953 1.00 0.16 H new ATOM 0 HD13 LEU A 88 2.999 1.626 -1.929 1.00 0.16 H new ATOM 0 HD21 LEU A 88 4.270 -1.111 -1.249 1.00 0.20 H new ATOM 0 HD22 LEU A 88 2.573 -0.895 -1.739 1.00 0.20 H new ATOM 0 HD23 LEU A 88 3.625 -2.011 -2.642 1.00 0.20 H new ATOM 622 N TYR A 89 1.842 -0.430 -7.025 1.00 0.16 N ATOM 623 CA TYR A 89 0.816 -0.283 -8.063 1.00 0.20 C ATOM 624 C TYR A 89 0.191 -1.634 -8.385 1.00 0.21 C ATOM 625 O TYR A 89 -1.030 -1.797 -8.369 1.00 0.25 O ATOM 626 CB TYR A 89 1.411 0.268 -9.366 1.00 0.22 C ATOM 627 CG TYR A 89 1.468 1.773 -9.482 1.00 0.26 C ATOM 628 CD1 TYR A 89 0.305 2.525 -9.567 1.00 0.34 C ATOM 629 CD2 TYR A 89 2.685 2.435 -9.538 1.00 0.28 C ATOM 630 CE1 TYR A 89 0.354 3.898 -9.699 1.00 0.42 C ATOM 631 CE2 TYR A 89 2.744 3.807 -9.675 1.00 0.37 C ATOM 632 CZ TYR A 89 1.575 4.536 -9.754 1.00 0.43 C ATOM 633 OH TYR A 89 1.628 5.904 -9.889 1.00 0.54 O ATOM 0 H TYR A 89 2.754 -0.048 -7.276 1.00 0.16 H new ATOM 0 HA TYR A 89 0.070 0.410 -7.674 1.00 0.20 H new ATOM 0 HB2 TYR A 89 2.422 -0.124 -9.475 1.00 0.22 H new ATOM 0 HB3 TYR A 89 0.828 -0.119 -10.201 1.00 0.22 H new ATOM 0 HD1 TYR A 89 -0.653 2.028 -9.529 1.00 0.34 H new ATOM 0 HD2 TYR A 89 3.602 1.868 -9.473 1.00 0.28 H new ATOM 0 HE1 TYR A 89 -0.560 4.470 -9.759 1.00 0.42 H new ATOM 0 HE2 TYR A 89 3.700 4.307 -9.720 1.00 0.37 H new ATOM 0 HH TYR A 89 2.564 6.195 -9.910 1.00 0.54 H new ATOM 643 N ASN A 90 1.060 -2.599 -8.651 1.00 0.19 N ATOM 644 CA ASN A 90 0.657 -3.925 -9.093 1.00 0.23 C ATOM 645 C ASN A 90 -0.184 -4.622 -8.032 1.00 0.22 C ATOM 646 O ASN A 90 -1.193 -5.257 -8.341 1.00 0.27 O ATOM 647 CB ASN A 90 1.897 -4.763 -9.396 1.00 0.27 C ATOM 648 CG ASN A 90 1.679 -5.804 -10.475 1.00 0.48 C ATOM 649 OD1 ASN A 90 2.607 -6.150 -11.207 1.00 1.33 O ATOM 650 ND2 ASN A 90 0.468 -6.320 -10.579 1.00 0.67 N ATOM 0 H ASN A 90 2.070 -2.483 -8.566 1.00 0.19 H new ATOM 0 HA ASN A 90 0.054 -3.818 -9.995 1.00 0.23 H new ATOM 0 HB2 ASN A 90 2.707 -4.100 -9.701 1.00 0.27 H new ATOM 0 HB3 ASN A 90 2.220 -5.262 -8.482 1.00 0.27 H new ATOM 0 HD21 ASN A 90 0.276 -7.031 -11.284 1.00 0.67 H new ATOM 0 HD22 ASN A 90 -0.275 -6.007 -9.954 1.00 0.67 H new ATOM 657 N ARG A 91 0.239 -4.493 -6.784 1.00 0.19 N ATOM 658 CA ARG A 91 -0.455 -5.110 -5.664 1.00 0.20 C ATOM 659 C ARG A 91 -1.844 -4.503 -5.468 1.00 0.20 C ATOM 660 O ARG A 91 -2.791 -5.214 -5.132 1.00 0.22 O ATOM 661 CB ARG A 91 0.377 -4.960 -4.392 1.00 0.22 C ATOM 662 CG ARG A 91 -0.303 -5.477 -3.133 1.00 0.26 C ATOM 663 CD ARG A 91 -0.543 -6.976 -3.173 1.00 0.36 C ATOM 664 NE ARG A 91 -0.049 -7.614 -1.951 1.00 0.80 N ATOM 665 CZ ARG A 91 0.638 -8.761 -1.920 1.00 0.73 C ATOM 666 NH1 ARG A 91 0.856 -9.448 -3.033 1.00 1.38 N ATOM 667 NH2 ARG A 91 1.098 -9.222 -0.763 1.00 1.25 N ATOM 0 H ARG A 91 1.068 -3.961 -6.520 1.00 0.19 H new ATOM 0 HA ARG A 91 -0.585 -6.170 -5.884 1.00 0.20 H new ATOM 0 HB2 ARG A 91 1.320 -5.490 -4.525 1.00 0.22 H new ATOM 0 HB3 ARG A 91 0.620 -3.906 -4.253 1.00 0.22 H new ATOM 0 HG2 ARG A 91 0.312 -5.234 -2.266 1.00 0.26 H new ATOM 0 HG3 ARG A 91 -1.256 -4.964 -3.002 1.00 0.26 H new ATOM 0 HD2 ARG A 91 -1.608 -7.175 -3.288 1.00 0.36 H new ATOM 0 HD3 ARG A 91 -0.043 -7.406 -4.041 1.00 0.36 H new ATOM 0 HE ARG A 91 -0.242 -7.152 -1.062 1.00 0.80 H new ATOM 0 HH11 ARG A 91 0.499 -9.103 -3.924 1.00 1.38 H new ATOM 0 HH12 ARG A 91 1.381 -10.322 -2.998 1.00 1.38 H new ATOM 0 HH21 ARG A 91 0.927 -8.702 0.098 1.00 1.25 H new ATOM 0 HH22 ARG A 91 1.622 -10.096 -0.735 1.00 1.25 H new ATOM 681 N GLN A 92 -1.968 -3.196 -5.682 1.00 0.19 N ATOM 682 CA GLN A 92 -3.259 -2.525 -5.546 1.00 0.21 C ATOM 683 C GLN A 92 -4.226 -3.035 -6.604 1.00 0.24 C ATOM 684 O GLN A 92 -5.421 -3.170 -6.358 1.00 0.26 O ATOM 685 CB GLN A 92 -3.116 -1.009 -5.672 1.00 0.23 C ATOM 686 CG GLN A 92 -4.308 -0.255 -5.105 1.00 0.34 C ATOM 687 CD GLN A 92 -4.372 1.187 -5.560 1.00 0.45 C ATOM 688 OE1 GLN A 92 -3.358 1.796 -5.886 1.00 0.71 O ATOM 689 NE2 GLN A 92 -5.573 1.746 -5.568 1.00 0.78 N ATOM 0 H GLN A 92 -1.197 -2.584 -5.948 1.00 0.19 H new ATOM 0 HA GLN A 92 -3.648 -2.750 -4.553 1.00 0.21 H new ATOM 0 HB2 GLN A 92 -2.211 -0.690 -5.155 1.00 0.23 H new ATOM 0 HB3 GLN A 92 -2.992 -0.747 -6.723 1.00 0.23 H new ATOM 0 HG2 GLN A 92 -5.226 -0.764 -5.401 1.00 0.34 H new ATOM 0 HG3 GLN A 92 -4.264 -0.284 -4.016 1.00 0.34 H new ATOM 0 HE21 GLN A 92 -6.390 1.203 -5.289 1.00 0.78 H new ATOM 0 HE22 GLN A 92 -5.681 2.719 -5.853 1.00 0.78 H new ATOM 698 N GLN A 93 -3.690 -3.327 -7.783 1.00 0.26 N ATOM 699 CA GLN A 93 -4.495 -3.855 -8.879 1.00 0.32 C ATOM 700 C GLN A 93 -4.931 -5.283 -8.561 1.00 0.34 C ATOM 701 O GLN A 93 -5.922 -5.780 -9.091 1.00 0.40 O ATOM 702 CB GLN A 93 -3.711 -3.841 -10.200 1.00 0.36 C ATOM 703 CG GLN A 93 -3.084 -2.504 -10.560 1.00 0.38 C ATOM 704 CD GLN A 93 -4.067 -1.364 -10.528 1.00 0.44 C ATOM 705 OE1 GLN A 93 -4.731 -1.053 -11.518 1.00 0.71 O ATOM 706 NE2 GLN A 93 -4.146 -0.724 -9.384 1.00 0.57 N ATOM 0 H GLN A 93 -2.702 -3.207 -8.005 1.00 0.26 H new ATOM 0 HA GLN A 93 -5.372 -3.218 -8.992 1.00 0.32 H new ATOM 0 HB2 GLN A 93 -2.923 -4.592 -10.145 1.00 0.36 H new ATOM 0 HB3 GLN A 93 -4.381 -4.140 -11.006 1.00 0.36 H new ATOM 0 HG2 GLN A 93 -2.269 -2.293 -9.867 1.00 0.38 H new ATOM 0 HG3 GLN A 93 -2.646 -2.571 -11.556 1.00 0.38 H new ATOM 0 HE21 GLN A 93 -3.575 -1.021 -8.593 1.00 0.57 H new ATOM 0 HE22 GLN A 93 -4.779 0.070 -9.286 1.00 0.57 H new ATOM 715 N ARG A 94 -4.170 -5.937 -7.693 1.00 0.33 N ATOM 716 CA ARG A 94 -4.490 -7.284 -7.252 1.00 0.38 C ATOM 717 C ARG A 94 -5.459 -7.248 -6.079 1.00 0.32 C ATOM 718 O ARG A 94 -6.040 -8.267 -5.700 1.00 0.46 O ATOM 719 CB ARG A 94 -3.218 -8.038 -6.861 1.00 0.47 C ATOM 720 CG ARG A 94 -2.318 -8.339 -8.044 1.00 0.70 C ATOM 721 CD ARG A 94 -3.126 -8.924 -9.183 1.00 0.95 C ATOM 722 NE ARG A 94 -2.297 -9.365 -10.300 1.00 1.67 N ATOM 723 CZ ARG A 94 -2.630 -9.195 -11.577 1.00 2.40 C ATOM 724 NH1 ARG A 94 -3.733 -8.525 -11.890 1.00 2.73 N ATOM 725 NH2 ARG A 94 -1.857 -9.682 -12.539 1.00 3.24 N ATOM 0 H ARG A 94 -3.321 -5.551 -7.279 1.00 0.33 H new ATOM 0 HA ARG A 94 -4.966 -7.809 -8.081 1.00 0.38 H new ATOM 0 HB2 ARG A 94 -2.663 -7.449 -6.131 1.00 0.47 H new ATOM 0 HB3 ARG A 94 -3.493 -8.973 -6.374 1.00 0.47 H new ATOM 0 HG2 ARG A 94 -1.821 -7.426 -8.373 1.00 0.70 H new ATOM 0 HG3 ARG A 94 -1.537 -9.038 -7.747 1.00 0.70 H new ATOM 0 HD2 ARG A 94 -3.707 -9.769 -8.813 1.00 0.95 H new ATOM 0 HD3 ARG A 94 -3.837 -8.178 -9.538 1.00 0.95 H new ATOM 0 HE ARG A 94 -1.413 -9.829 -10.090 1.00 1.67 H new ATOM 0 HH11 ARG A 94 -4.324 -8.142 -11.152 1.00 2.73 H new ATOM 0 HH12 ARG A 94 -3.990 -8.394 -12.868 1.00 2.73 H new ATOM 0 HH21 ARG A 94 -1.004 -10.189 -12.301 1.00 3.24 H new ATOM 0 HH22 ARG A 94 -2.115 -9.550 -13.517 1.00 3.24 H new ATOM 739 N ALA A 95 -5.618 -6.070 -5.501 1.00 0.28 N ATOM 740 CA ALA A 95 -6.536 -5.875 -4.405 1.00 0.25 C ATOM 741 C ALA A 95 -7.928 -5.551 -4.936 1.00 0.26 C ATOM 742 O ALA A 95 -8.077 -4.819 -5.915 1.00 0.36 O ATOM 743 CB ALA A 95 -6.019 -4.769 -3.500 1.00 0.25 C ATOM 0 H ALA A 95 -5.114 -5.228 -5.781 1.00 0.28 H new ATOM 0 HA ALA A 95 -6.608 -6.793 -3.821 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -6.713 -4.622 -2.672 1.00 0.25 H new ATOM 0 HB2 ALA A 95 -5.040 -5.047 -3.108 1.00 0.25 H new ATOM 0 HB3 ALA A 95 -5.932 -3.844 -4.069 1.00 0.25 H new ATOM 749 N HIS A 96 -8.940 -6.124 -4.301 1.00 0.29 N ATOM 750 CA HIS A 96 -10.319 -5.938 -4.733 1.00 0.29 C ATOM 751 C HIS A 96 -10.792 -4.526 -4.426 1.00 0.27 C ATOM 752 O HIS A 96 -10.500 -3.974 -3.365 1.00 0.29 O ATOM 753 CB HIS A 96 -11.249 -6.946 -4.060 1.00 0.33 C ATOM 754 CG HIS A 96 -12.554 -7.097 -4.778 1.00 0.37 C ATOM 755 ND1 HIS A 96 -13.616 -6.268 -4.522 1.00 0.38 N ATOM 756 CD2 HIS A 96 -12.898 -7.968 -5.756 1.00 0.45 C ATOM 757 CE1 HIS A 96 -14.575 -6.646 -5.347 1.00 0.46 C ATOM 758 NE2 HIS A 96 -14.189 -7.674 -6.117 1.00 0.50 N ATOM 0 H HIS A 96 -8.832 -6.723 -3.483 1.00 0.29 H new ATOM 0 HA HIS A 96 -10.350 -6.100 -5.810 1.00 0.29 H new ATOM 0 HB2 HIS A 96 -10.752 -7.915 -4.010 1.00 0.33 H new ATOM 0 HB3 HIS A 96 -11.438 -6.631 -3.034 1.00 0.33 H new ATOM 0 HD2 HIS A 96 -12.275 -8.746 -6.173 1.00 0.45 H new ATOM 0 HE1 HIS A 96 -15.550 -6.184 -5.396 1.00 0.46 H new ATOM 0 HE2 HIS A 96 -14.745 -8.145 -6.831 1.00 0.50 H new ATOM 766 N SER A 97 -11.556 -3.976 -5.359 1.00 0.32 N ATOM 767 CA SER A 97 -11.981 -2.587 -5.323 1.00 0.37 C ATOM 768 C SER A 97 -12.874 -2.264 -4.124 1.00 0.33 C ATOM 769 O SER A 97 -13.016 -1.100 -3.759 1.00 0.39 O ATOM 770 CB SER A 97 -12.729 -2.270 -6.615 1.00 0.48 C ATOM 771 OG SER A 97 -11.997 -2.719 -7.746 1.00 1.46 O ATOM 0 H SER A 97 -11.901 -4.489 -6.170 1.00 0.32 H new ATOM 0 HA SER A 97 -11.086 -1.972 -5.223 1.00 0.37 H new ATOM 0 HB2 SER A 97 -13.709 -2.746 -6.599 1.00 0.48 H new ATOM 0 HB3 SER A 97 -12.897 -1.196 -6.689 1.00 0.48 H new ATOM 0 HG SER A 97 -12.495 -2.507 -8.563 1.00 1.46 H new ATOM 777 N LEU A 98 -13.467 -3.280 -3.505 1.00 0.29 N ATOM 778 CA LEU A 98 -14.417 -3.050 -2.426 1.00 0.32 C ATOM 779 C LEU A 98 -13.729 -2.528 -1.175 1.00 0.35 C ATOM 780 O LEU A 98 -14.100 -1.473 -0.657 1.00 0.43 O ATOM 781 CB LEU A 98 -15.191 -4.325 -2.115 1.00 0.35 C ATOM 782 CG LEU A 98 -16.293 -4.658 -3.116 1.00 0.40 C ATOM 783 CD1 LEU A 98 -17.051 -5.899 -2.676 1.00 0.70 C ATOM 784 CD2 LEU A 98 -17.239 -3.475 -3.280 1.00 0.67 C ATOM 0 H LEU A 98 -13.308 -4.262 -3.730 1.00 0.29 H new ATOM 0 HA LEU A 98 -15.118 -2.286 -2.762 1.00 0.32 H new ATOM 0 HB2 LEU A 98 -14.491 -5.159 -2.075 1.00 0.35 H new ATOM 0 HB3 LEU A 98 -15.634 -4.233 -1.124 1.00 0.35 H new ATOM 0 HG LEU A 98 -15.834 -4.863 -4.083 1.00 0.40 H new ATOM 0 HD11 LEU A 98 -17.834 -6.123 -3.401 1.00 0.70 H new ATOM 0 HD12 LEU A 98 -16.363 -6.742 -2.612 1.00 0.70 H new ATOM 0 HD13 LEU A 98 -17.501 -5.723 -1.699 1.00 0.70 H new ATOM 0 HD21 LEU A 98 -18.019 -3.730 -3.998 1.00 0.67 H new ATOM 0 HD22 LEU A 98 -17.694 -3.237 -2.319 1.00 0.67 H new ATOM 0 HD23 LEU A 98 -16.682 -2.611 -3.641 1.00 0.67 H new ATOM 796 N PHE A 99 -12.738 -3.266 -0.690 1.00 0.32 N ATOM 797 CA PHE A 99 -11.941 -2.818 0.447 1.00 0.34 C ATOM 798 C PHE A 99 -11.335 -1.450 0.167 1.00 0.34 C ATOM 799 O PHE A 99 -11.397 -0.551 1.009 1.00 0.39 O ATOM 800 CB PHE A 99 -10.834 -3.830 0.764 1.00 0.36 C ATOM 801 CG PHE A 99 -9.698 -3.253 1.563 1.00 0.31 C ATOM 802 CD1 PHE A 99 -9.918 -2.679 2.806 1.00 0.44 C ATOM 803 CD2 PHE A 99 -8.409 -3.275 1.058 1.00 0.38 C ATOM 804 CE1 PHE A 99 -8.871 -2.141 3.529 1.00 0.57 C ATOM 805 CE2 PHE A 99 -7.359 -2.737 1.776 1.00 0.49 C ATOM 806 CZ PHE A 99 -7.591 -2.170 3.013 1.00 0.58 C ATOM 0 H PHE A 99 -12.467 -4.175 -1.065 1.00 0.32 H new ATOM 0 HA PHE A 99 -12.598 -2.740 1.313 1.00 0.34 H new ATOM 0 HB2 PHE A 99 -11.265 -4.666 1.314 1.00 0.36 H new ATOM 0 HB3 PHE A 99 -10.442 -4.231 -0.171 1.00 0.36 H new ATOM 0 HD1 PHE A 99 -10.918 -2.652 3.213 1.00 0.44 H new ATOM 0 HD2 PHE A 99 -8.222 -3.718 0.091 1.00 0.38 H new ATOM 0 HE1 PHE A 99 -9.054 -1.698 4.497 1.00 0.57 H new ATOM 0 HE2 PHE A 99 -6.358 -2.760 1.370 1.00 0.49 H new ATOM 0 HZ PHE A 99 -6.772 -1.749 3.577 1.00 0.58 H new ATOM 816 N LEU A 100 -10.750 -1.303 -1.015 1.00 0.31 N ATOM 817 CA LEU A 100 -10.141 -0.046 -1.411 1.00 0.36 C ATOM 818 C LEU A 100 -11.155 1.099 -1.317 1.00 0.45 C ATOM 819 O LEU A 100 -10.886 2.121 -0.698 1.00 0.79 O ATOM 820 CB LEU A 100 -9.591 -0.164 -2.834 1.00 0.37 C ATOM 821 CG LEU A 100 -8.833 -1.466 -3.125 1.00 0.35 C ATOM 822 CD1 LEU A 100 -8.425 -1.540 -4.581 1.00 0.82 C ATOM 823 CD2 LEU A 100 -7.611 -1.616 -2.232 1.00 0.70 C ATOM 0 H LEU A 100 -10.686 -2.042 -1.715 1.00 0.31 H new ATOM 0 HA LEU A 100 -9.318 0.177 -0.732 1.00 0.36 H new ATOM 0 HB2 LEU A 100 -10.419 -0.078 -3.537 1.00 0.37 H new ATOM 0 HB3 LEU A 100 -8.924 0.678 -3.022 1.00 0.37 H new ATOM 0 HG LEU A 100 -9.513 -2.290 -2.908 1.00 0.35 H new ATOM 0 HD11 LEU A 100 -7.889 -2.472 -4.762 1.00 0.82 H new ATOM 0 HD12 LEU A 100 -9.314 -1.505 -5.210 1.00 0.82 H new ATOM 0 HD13 LEU A 100 -7.777 -0.697 -4.821 1.00 0.82 H new ATOM 0 HD21 LEU A 100 -7.101 -2.550 -2.468 1.00 0.70 H new ATOM 0 HD22 LEU A 100 -6.933 -0.779 -2.400 1.00 0.70 H new ATOM 0 HD23 LEU A 100 -7.923 -1.627 -1.188 1.00 0.70 H new ATOM 835 N ALA A 101 -12.348 0.894 -1.872 1.00 0.28 N ATOM 836 CA ALA A 101 -13.372 1.943 -1.934 1.00 0.33 C ATOM 837 C ALA A 101 -14.062 2.183 -0.587 1.00 0.36 C ATOM 838 O ALA A 101 -15.123 2.808 -0.526 1.00 0.57 O ATOM 839 CB ALA A 101 -14.410 1.588 -2.987 1.00 0.36 C ATOM 0 H ALA A 101 -12.633 0.007 -2.288 1.00 0.28 H new ATOM 0 HA ALA A 101 -12.863 2.869 -2.202 1.00 0.33 H new ATOM 0 HB1 ALA A 101 -15.168 2.370 -3.029 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -13.926 1.499 -3.960 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -14.881 0.640 -2.728 1.00 0.36 H new ATOM 845 N SER A 102 -13.434 1.734 0.482 1.00 0.34 N ATOM 846 CA SER A 102 -13.992 1.832 1.813 1.00 0.36 C ATOM 847 C SER A 102 -13.066 2.658 2.694 1.00 0.36 C ATOM 848 O SER A 102 -11.858 2.743 2.453 1.00 0.46 O ATOM 849 CB SER A 102 -14.193 0.431 2.398 1.00 0.40 C ATOM 850 OG SER A 102 -15.085 -0.331 1.594 1.00 1.39 O ATOM 0 H SER A 102 -12.517 1.289 0.449 1.00 0.34 H new ATOM 0 HA SER A 102 -14.962 2.326 1.767 1.00 0.36 H new ATOM 0 HB2 SER A 102 -13.233 -0.080 2.467 1.00 0.40 H new ATOM 0 HB3 SER A 102 -14.587 0.509 3.412 1.00 0.40 H new ATOM 0 HG SER A 102 -14.591 -0.736 0.851 1.00 1.39 H new ATOM 856 N ALA A 103 -13.660 3.272 3.712 1.00 0.35 N ATOM 857 CA ALA A 103 -12.977 4.238 4.567 1.00 0.36 C ATOM 858 C ALA A 103 -11.767 3.643 5.252 1.00 0.29 C ATOM 859 O ALA A 103 -10.855 4.368 5.653 1.00 0.30 O ATOM 860 CB ALA A 103 -13.937 4.769 5.610 1.00 0.44 C ATOM 0 H ALA A 103 -14.634 3.113 3.969 1.00 0.35 H new ATOM 0 HA ALA A 103 -12.629 5.049 3.927 1.00 0.36 H new ATOM 0 HB1 ALA A 103 -13.422 5.490 6.245 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.778 5.256 5.116 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -14.304 3.944 6.221 1.00 0.44 H new ATOM 866 N GLU A 104 -11.764 2.329 5.387 1.00 0.29 N ATOM 867 CA GLU A 104 -10.684 1.647 6.068 1.00 0.30 C ATOM 868 C GLU A 104 -9.361 1.897 5.353 1.00 0.26 C ATOM 869 O GLU A 104 -8.394 2.347 5.962 1.00 0.30 O ATOM 870 CB GLU A 104 -10.969 0.149 6.151 1.00 0.39 C ATOM 871 CG GLU A 104 -9.851 -0.642 6.800 1.00 0.49 C ATOM 872 CD GLU A 104 -10.251 -2.069 7.093 1.00 1.02 C ATOM 873 OE1 GLU A 104 -10.993 -2.300 8.068 1.00 1.15 O ATOM 874 OE2 GLU A 104 -9.820 -2.975 6.347 1.00 1.81 O ATOM 0 H GLU A 104 -12.498 1.715 5.033 1.00 0.29 H new ATOM 0 HA GLU A 104 -10.610 2.043 7.081 1.00 0.30 H new ATOM 0 HB2 GLU A 104 -11.889 -0.007 6.714 1.00 0.39 H new ATOM 0 HB3 GLU A 104 -11.141 -0.237 5.146 1.00 0.39 H new ATOM 0 HG2 GLU A 104 -8.980 -0.639 6.145 1.00 0.49 H new ATOM 0 HG3 GLU A 104 -9.554 -0.153 7.728 1.00 0.49 H new ATOM 881 N PHE A 105 -9.344 1.646 4.050 1.00 0.22 N ATOM 882 CA PHE A 105 -8.128 1.786 3.260 1.00 0.20 C ATOM 883 C PHE A 105 -7.668 3.241 3.211 1.00 0.19 C ATOM 884 O PHE A 105 -6.468 3.518 3.261 1.00 0.16 O ATOM 885 CB PHE A 105 -8.346 1.239 1.852 1.00 0.21 C ATOM 886 CG PHE A 105 -7.083 1.184 1.047 1.00 0.18 C ATOM 887 CD1 PHE A 105 -5.934 0.637 1.593 1.00 0.18 C ATOM 888 CD2 PHE A 105 -7.040 1.675 -0.245 1.00 0.18 C ATOM 889 CE1 PHE A 105 -4.765 0.583 0.866 1.00 0.17 C ATOM 890 CE2 PHE A 105 -5.870 1.624 -0.980 1.00 0.17 C ATOM 891 CZ PHE A 105 -4.732 1.080 -0.422 1.00 0.16 C ATOM 0 H PHE A 105 -10.160 1.344 3.518 1.00 0.22 H new ATOM 0 HA PHE A 105 -7.340 1.205 3.740 1.00 0.20 H new ATOM 0 HB2 PHE A 105 -8.773 0.238 1.918 1.00 0.21 H new ATOM 0 HB3 PHE A 105 -9.075 1.863 1.334 1.00 0.21 H new ATOM 0 HD1 PHE A 105 -5.955 0.248 2.600 1.00 0.18 H new ATOM 0 HD2 PHE A 105 -7.929 2.103 -0.684 1.00 0.18 H new ATOM 0 HE1 PHE A 105 -3.876 0.153 1.303 1.00 0.17 H new ATOM 0 HE2 PHE A 105 -5.847 2.009 -1.989 1.00 0.17 H new ATOM 0 HZ PHE A 105 -3.816 1.043 -0.992 1.00 0.16 H new ATOM 901 N CYS A 106 -8.622 4.166 3.102 1.00 0.27 N ATOM 902 CA CYS A 106 -8.319 5.593 3.206 1.00 0.27 C ATOM 903 C CYS A 106 -7.488 5.889 4.463 1.00 0.27 C ATOM 904 O CYS A 106 -6.483 6.599 4.393 1.00 0.28 O ATOM 905 CB CYS A 106 -9.613 6.414 3.222 1.00 0.29 C ATOM 906 SG CYS A 106 -9.356 8.197 3.372 1.00 0.59 S ATOM 0 H CYS A 106 -9.607 3.954 2.942 1.00 0.27 H new ATOM 0 HA CYS A 106 -7.731 5.878 2.333 1.00 0.27 H new ATOM 0 HB2 CYS A 106 -10.169 6.214 2.306 1.00 0.29 H new ATOM 0 HB3 CYS A 106 -10.234 6.076 4.052 1.00 0.29 H new ATOM 0 HG CYS A 106 -9.804 8.791 2.306 1.00 0.59 H new ATOM 912 N ASN A 107 -7.903 5.331 5.605 1.00 0.28 N ATOM 913 CA ASN A 107 -7.144 5.460 6.856 1.00 0.30 C ATOM 914 C ASN A 107 -5.733 4.955 6.673 1.00 0.24 C ATOM 915 O ASN A 107 -4.772 5.668 6.943 1.00 0.23 O ATOM 916 CB ASN A 107 -7.794 4.663 7.984 1.00 0.37 C ATOM 917 CG ASN A 107 -8.941 5.398 8.654 1.00 0.46 C ATOM 918 OD1 ASN A 107 -8.739 6.128 9.624 1.00 0.78 O ATOM 919 ND2 ASN A 107 -10.150 5.211 8.155 1.00 0.64 N ATOM 0 H ASN A 107 -8.760 4.785 5.690 1.00 0.28 H new ATOM 0 HA ASN A 107 -7.135 6.518 7.118 1.00 0.30 H new ATOM 0 HB2 ASN A 107 -8.161 3.717 7.587 1.00 0.37 H new ATOM 0 HB3 ASN A 107 -7.039 4.423 8.732 1.00 0.37 H new ATOM 0 HD21 ASN A 107 -10.953 5.679 8.575 1.00 0.64 H new ATOM 0 HD22 ASN A 107 -10.280 4.599 7.350 1.00 0.64 H new ATOM 926 N ILE A 108 -5.628 3.732 6.188 1.00 0.21 N ATOM 927 CA ILE A 108 -4.344 3.088 5.971 1.00 0.17 C ATOM 928 C ILE A 108 -3.411 3.987 5.170 1.00 0.12 C ATOM 929 O ILE A 108 -2.294 4.270 5.594 1.00 0.12 O ATOM 930 CB ILE A 108 -4.546 1.746 5.235 1.00 0.17 C ATOM 931 CG1 ILE A 108 -4.727 0.603 6.228 1.00 0.23 C ATOM 932 CG2 ILE A 108 -3.417 1.447 4.264 1.00 0.14 C ATOM 933 CD1 ILE A 108 -6.099 0.573 6.846 1.00 0.39 C ATOM 0 H ILE A 108 -6.430 3.156 5.933 1.00 0.21 H new ATOM 0 HA ILE A 108 -3.886 2.901 6.942 1.00 0.17 H new ATOM 0 HB ILE A 108 -5.458 1.839 4.645 1.00 0.17 H new ATOM 0 HG12 ILE A 108 -4.542 -0.344 5.721 1.00 0.23 H new ATOM 0 HG13 ILE A 108 -3.981 0.693 7.017 1.00 0.23 H new ATOM 0 HG21 ILE A 108 -3.604 0.493 3.771 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -3.362 2.238 3.516 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -2.474 1.395 4.808 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -6.166 -0.262 7.543 1.00 0.39 H new ATOM 0 HD12 ILE A 108 -6.278 1.506 7.380 1.00 0.39 H new ATOM 0 HD13 ILE A 108 -6.848 0.453 6.063 1.00 0.39 H new ATOM 945 N LEU A 109 -3.891 4.450 4.032 1.00 0.12 N ATOM 946 CA LEU A 109 -3.106 5.301 3.157 1.00 0.12 C ATOM 947 C LEU A 109 -2.722 6.613 3.813 1.00 0.13 C ATOM 948 O LEU A 109 -1.547 6.964 3.854 1.00 0.13 O ATOM 949 CB LEU A 109 -3.876 5.562 1.883 1.00 0.15 C ATOM 950 CG LEU A 109 -3.666 4.509 0.818 1.00 0.16 C ATOM 951 CD1 LEU A 109 -4.695 4.654 -0.263 1.00 0.18 C ATOM 952 CD2 LEU A 109 -2.279 4.640 0.241 1.00 0.17 C ATOM 0 H LEU A 109 -4.830 4.249 3.689 1.00 0.12 H new ATOM 0 HA LEU A 109 -2.178 4.775 2.933 1.00 0.12 H new ATOM 0 HB2 LEU A 109 -4.939 5.622 2.117 1.00 0.15 H new ATOM 0 HB3 LEU A 109 -3.582 6.533 1.484 1.00 0.15 H new ATOM 0 HG LEU A 109 -3.772 3.521 1.266 1.00 0.16 H new ATOM 0 HD11 LEU A 109 -4.533 3.890 -1.024 1.00 0.18 H new ATOM 0 HD12 LEU A 109 -5.691 4.536 0.164 1.00 0.18 H new ATOM 0 HD13 LEU A 109 -4.610 5.642 -0.716 1.00 0.18 H new ATOM 0 HD21 LEU A 109 -2.131 3.880 -0.526 1.00 0.17 H new ATOM 0 HD22 LEU A 109 -2.161 5.629 -0.201 1.00 0.17 H new ATOM 0 HD23 LEU A 109 -1.542 4.506 1.032 1.00 0.17 H new ATOM 964 N SER A 110 -3.714 7.328 4.329 1.00 0.16 N ATOM 965 CA SER A 110 -3.471 8.612 4.977 1.00 0.20 C ATOM 966 C SER A 110 -2.437 8.456 6.086 1.00 0.19 C ATOM 967 O SER A 110 -1.613 9.339 6.321 1.00 0.22 O ATOM 968 CB SER A 110 -4.778 9.175 5.544 1.00 0.28 C ATOM 969 OG SER A 110 -5.344 8.310 6.517 1.00 1.18 O ATOM 0 H SER A 110 -4.693 7.042 4.312 1.00 0.16 H new ATOM 0 HA SER A 110 -3.083 9.310 4.235 1.00 0.20 H new ATOM 0 HB2 SER A 110 -4.590 10.151 5.990 1.00 0.28 H new ATOM 0 HB3 SER A 110 -5.491 9.327 4.733 1.00 0.28 H new ATOM 0 HG SER A 110 -4.994 7.403 6.392 1.00 1.18 H new ATOM 975 N ARG A 111 -2.488 7.310 6.743 1.00 0.18 N ATOM 976 CA ARG A 111 -1.580 6.999 7.827 1.00 0.19 C ATOM 977 C ARG A 111 -0.184 6.623 7.322 1.00 0.16 C ATOM 978 O ARG A 111 0.792 7.298 7.650 1.00 0.17 O ATOM 979 CB ARG A 111 -2.163 5.871 8.676 1.00 0.25 C ATOM 980 CG ARG A 111 -3.322 6.304 9.559 1.00 0.33 C ATOM 981 CD ARG A 111 -3.817 5.157 10.426 1.00 1.22 C ATOM 982 NE ARG A 111 -2.739 4.535 11.200 1.00 1.97 N ATOM 983 CZ ARG A 111 -2.929 3.866 12.339 1.00 2.79 C ATOM 984 NH1 ARG A 111 -4.134 3.824 12.900 1.00 3.10 N ATOM 985 NH2 ARG A 111 -1.902 3.267 12.929 1.00 3.73 N ATOM 0 H ARG A 111 -3.161 6.571 6.538 1.00 0.18 H new ATOM 0 HA ARG A 111 -1.467 7.896 8.436 1.00 0.19 H new ATOM 0 HB2 ARG A 111 -2.499 5.070 8.018 1.00 0.25 H new ATOM 0 HB3 ARG A 111 -1.374 5.457 9.304 1.00 0.25 H new ATOM 0 HG2 ARG A 111 -3.008 7.133 10.194 1.00 0.33 H new ATOM 0 HG3 ARG A 111 -4.138 6.670 8.937 1.00 0.33 H new ATOM 0 HD2 ARG A 111 -4.584 5.525 11.107 1.00 1.22 H new ATOM 0 HD3 ARG A 111 -4.287 4.404 9.794 1.00 1.22 H new ATOM 0 HE ARG A 111 -1.786 4.619 10.847 1.00 1.97 H new ATOM 0 HH11 ARG A 111 -4.919 4.305 12.460 1.00 3.10 H new ATOM 0 HH12 ARG A 111 -4.274 3.311 13.771 1.00 3.10 H new ATOM 0 HH21 ARG A 111 -0.973 3.319 12.512 1.00 3.73 H new ATOM 0 HH22 ARG A 111 -2.042 2.754 13.800 1.00 3.73 H new ATOM 999 N VAL A 112 -0.085 5.578 6.498 1.00 0.15 N ATOM 1000 CA VAL A 112 1.223 5.048 6.103 1.00 0.14 C ATOM 1001 C VAL A 112 1.967 5.992 5.169 1.00 0.14 C ATOM 1002 O VAL A 112 3.180 6.163 5.300 1.00 0.15 O ATOM 1003 CB VAL A 112 1.148 3.648 5.451 1.00 0.14 C ATOM 1004 CG1 VAL A 112 0.511 2.646 6.392 1.00 0.17 C ATOM 1005 CG2 VAL A 112 0.408 3.690 4.133 1.00 0.15 C ATOM 0 H VAL A 112 -0.883 5.087 6.095 1.00 0.15 H new ATOM 0 HA VAL A 112 1.775 4.955 7.038 1.00 0.14 H new ATOM 0 HB VAL A 112 2.169 3.326 5.248 1.00 0.14 H new ATOM 0 HG11 VAL A 112 0.470 1.669 5.910 1.00 0.17 H new ATOM 0 HG12 VAL A 112 1.104 2.576 7.304 1.00 0.17 H new ATOM 0 HG13 VAL A 112 -0.499 2.971 6.640 1.00 0.17 H new ATOM 0 HG21 VAL A 112 0.374 2.689 3.703 1.00 0.15 H new ATOM 0 HG22 VAL A 112 -0.608 4.049 4.297 1.00 0.15 H new ATOM 0 HG23 VAL A 112 0.924 4.362 3.447 1.00 0.15 H new ATOM 1015 N LEU A 113 1.249 6.608 4.235 1.00 0.15 N ATOM 1016 CA LEU A 113 1.856 7.539 3.312 1.00 0.16 C ATOM 1017 C LEU A 113 2.514 8.674 4.071 1.00 0.17 C ATOM 1018 O LEU A 113 3.688 8.978 3.871 1.00 0.20 O ATOM 1019 CB LEU A 113 0.788 8.079 2.360 1.00 0.16 C ATOM 1020 CG LEU A 113 0.796 9.589 2.167 1.00 0.20 C ATOM 1021 CD1 LEU A 113 1.955 9.981 1.270 1.00 0.20 C ATOM 1022 CD2 LEU A 113 -0.521 10.058 1.579 1.00 0.27 C ATOM 0 H LEU A 113 0.246 6.474 4.104 1.00 0.15 H new ATOM 0 HA LEU A 113 2.623 7.026 2.732 1.00 0.16 H new ATOM 0 HB2 LEU A 113 0.917 7.604 1.388 1.00 0.16 H new ATOM 0 HB3 LEU A 113 -0.192 7.782 2.733 1.00 0.16 H new ATOM 0 HG LEU A 113 0.921 10.072 3.136 1.00 0.20 H new ATOM 0 HD11 LEU A 113 1.959 11.062 1.133 1.00 0.20 H new ATOM 0 HD12 LEU A 113 2.893 9.670 1.730 1.00 0.20 H new ATOM 0 HD13 LEU A 113 1.847 9.493 0.301 1.00 0.20 H new ATOM 0 HD21 LEU A 113 -0.496 11.140 1.448 1.00 0.27 H new ATOM 0 HD22 LEU A 113 -0.679 9.579 0.613 1.00 0.27 H new ATOM 0 HD23 LEU A 113 -1.335 9.792 2.253 1.00 0.27 H new ATOM 1034 N SER A 114 1.752 9.276 4.960 1.00 0.17 N ATOM 1035 CA SER A 114 2.205 10.438 5.683 1.00 0.21 C ATOM 1036 C SER A 114 3.299 10.052 6.677 1.00 0.18 C ATOM 1037 O SER A 114 4.195 10.846 6.963 1.00 0.20 O ATOM 1038 CB SER A 114 1.014 11.091 6.367 1.00 0.26 C ATOM 1039 OG SER A 114 -0.005 11.391 5.426 1.00 1.06 O ATOM 0 H SER A 114 0.808 8.973 5.198 1.00 0.17 H new ATOM 0 HA SER A 114 2.643 11.161 4.995 1.00 0.21 H new ATOM 0 HB2 SER A 114 0.621 10.426 7.136 1.00 0.26 H new ATOM 0 HB3 SER A 114 1.333 12.005 6.868 1.00 0.26 H new ATOM 0 HG SER A 114 -0.755 10.772 5.547 1.00 1.06 H new ATOM 1045 N ARG A 115 3.224 8.827 7.197 1.00 0.15 N ATOM 1046 CA ARG A 115 4.294 8.268 8.000 1.00 0.16 C ATOM 1047 C ARG A 115 5.585 8.160 7.202 1.00 0.15 C ATOM 1048 O ARG A 115 6.645 8.490 7.702 1.00 0.18 O ATOM 1049 CB ARG A 115 3.897 6.900 8.543 1.00 0.20 C ATOM 1050 CG ARG A 115 3.033 6.998 9.781 1.00 0.31 C ATOM 1051 CD ARG A 115 3.757 7.790 10.848 1.00 0.53 C ATOM 1052 NE ARG A 115 3.016 7.859 12.101 1.00 0.89 N ATOM 1053 CZ ARG A 115 3.576 7.751 13.306 1.00 1.21 C ATOM 1054 NH1 ARG A 115 4.868 7.461 13.422 1.00 1.63 N ATOM 1055 NH2 ARG A 115 2.837 7.915 14.395 1.00 1.62 N ATOM 0 H ARG A 115 2.425 8.205 7.071 1.00 0.15 H new ATOM 0 HA ARG A 115 4.468 8.944 8.837 1.00 0.16 H new ATOM 0 HB2 ARG A 115 3.360 6.348 7.772 1.00 0.20 H new ATOM 0 HB3 ARG A 115 4.796 6.330 8.775 1.00 0.20 H new ATOM 0 HG2 ARG A 115 2.086 7.479 9.538 1.00 0.31 H new ATOM 0 HG3 ARG A 115 2.798 6.000 10.152 1.00 0.31 H new ATOM 0 HD2 ARG A 115 4.731 7.337 11.032 1.00 0.53 H new ATOM 0 HD3 ARG A 115 3.939 8.801 10.483 1.00 0.53 H new ATOM 0 HE ARG A 115 2.007 7.999 12.053 1.00 0.89 H new ATOM 0 HH11 ARG A 115 5.436 7.320 12.587 1.00 1.63 H new ATOM 0 HH12 ARG A 115 5.291 7.380 14.346 1.00 1.63 H new ATOM 0 HH21 ARG A 115 1.842 8.123 14.310 1.00 1.62 H new ATOM 0 HH22 ARG A 115 3.263 7.833 15.318 1.00 1.62 H new ATOM 1069 N ALA A 116 5.488 7.695 5.964 1.00 0.15 N ATOM 1070 CA ALA A 116 6.659 7.575 5.096 1.00 0.18 C ATOM 1071 C ALA A 116 7.136 8.944 4.609 1.00 0.21 C ATOM 1072 O ALA A 116 8.314 9.139 4.306 1.00 0.25 O ATOM 1073 CB ALA A 116 6.348 6.668 3.921 1.00 0.20 C ATOM 0 H ALA A 116 4.613 7.394 5.535 1.00 0.15 H new ATOM 0 HA ALA A 116 7.468 7.133 5.678 1.00 0.18 H new ATOM 0 HB1 ALA A 116 7.227 6.586 3.282 1.00 0.20 H new ATOM 0 HB2 ALA A 116 6.073 5.679 4.288 1.00 0.20 H new ATOM 0 HB3 ALA A 116 5.520 7.086 3.348 1.00 0.20 H new ATOM 1079 N ARG A 117 6.203 9.884 4.529 1.00 0.23 N ATOM 1080 CA ARG A 117 6.491 11.251 4.150 1.00 0.28 C ATOM 1081 C ARG A 117 7.218 11.969 5.289 1.00 0.29 C ATOM 1082 O ARG A 117 8.018 12.880 5.066 1.00 0.39 O ATOM 1083 CB ARG A 117 5.162 11.930 3.806 1.00 0.38 C ATOM 1084 CG ARG A 117 5.172 13.436 3.908 1.00 1.06 C ATOM 1085 CD ARG A 117 6.023 14.080 2.826 1.00 1.15 C ATOM 1086 NE ARG A 117 5.762 15.515 2.717 1.00 1.75 N ATOM 1087 CZ ARG A 117 5.633 16.161 1.559 1.00 2.25 C ATOM 1088 NH1 ARG A 117 5.849 15.526 0.414 1.00 2.33 N ATOM 1089 NH2 ARG A 117 5.306 17.447 1.550 1.00 2.99 N ATOM 0 H ARG A 117 5.218 9.712 4.728 1.00 0.23 H new ATOM 0 HA ARG A 117 7.148 11.286 3.281 1.00 0.28 H new ATOM 0 HB2 ARG A 117 4.881 11.651 2.791 1.00 0.38 H new ATOM 0 HB3 ARG A 117 4.390 11.541 4.469 1.00 0.38 H new ATOM 0 HG2 ARG A 117 4.151 13.810 3.835 1.00 1.06 H new ATOM 0 HG3 ARG A 117 5.550 13.729 4.887 1.00 1.06 H new ATOM 0 HD2 ARG A 117 7.078 13.917 3.047 1.00 1.15 H new ATOM 0 HD3 ARG A 117 5.820 13.599 1.869 1.00 1.15 H new ATOM 0 HE ARG A 117 5.673 16.053 3.579 1.00 1.75 H new ATOM 0 HH11 ARG A 117 6.114 14.541 0.419 1.00 2.33 H new ATOM 0 HH12 ARG A 117 5.750 16.023 -0.471 1.00 2.33 H new ATOM 0 HH21 ARG A 117 5.154 17.941 2.429 1.00 2.99 H new ATOM 0 HH22 ARG A 117 5.207 17.942 0.664 1.00 2.99 H new ATOM 1103 N SER A 118 6.936 11.535 6.506 1.00 0.28 N ATOM 1104 CA SER A 118 7.558 12.095 7.697 1.00 0.33 C ATOM 1105 C SER A 118 8.827 11.332 8.032 1.00 0.32 C ATOM 1106 O SER A 118 9.868 11.910 8.346 1.00 0.41 O ATOM 1107 CB SER A 118 6.579 11.993 8.862 1.00 0.38 C ATOM 1108 OG SER A 118 6.979 12.804 9.955 1.00 0.62 O ATOM 0 H SER A 118 6.271 10.786 6.697 1.00 0.28 H new ATOM 0 HA SER A 118 7.813 13.139 7.515 1.00 0.33 H new ATOM 0 HB2 SER A 118 5.585 12.294 8.530 1.00 0.38 H new ATOM 0 HB3 SER A 118 6.506 10.955 9.186 1.00 0.38 H new ATOM 0 HG SER A 118 6.329 12.716 10.683 1.00 0.62 H new ATOM 1114 N ARG A 119 8.703 10.024 7.957 1.00 0.26 N ATOM 1115 CA ARG A 119 9.781 9.096 8.264 1.00 0.28 C ATOM 1116 C ARG A 119 10.178 8.293 7.024 1.00 0.26 C ATOM 1117 O ARG A 119 9.789 7.134 6.873 1.00 0.25 O ATOM 1118 CB ARG A 119 9.341 8.125 9.365 1.00 0.33 C ATOM 1119 CG ARG A 119 8.936 8.794 10.662 1.00 0.47 C ATOM 1120 CD ARG A 119 10.108 9.492 11.323 1.00 1.28 C ATOM 1121 NE ARG A 119 9.694 10.197 12.532 1.00 1.54 N ATOM 1122 CZ ARG A 119 10.270 11.301 12.997 1.00 2.39 C ATOM 1123 NH1 ARG A 119 11.305 11.840 12.371 1.00 3.26 N ATOM 1124 NH2 ARG A 119 9.799 11.867 14.098 1.00 2.60 N ATOM 0 H ARG A 119 7.837 9.564 7.677 1.00 0.26 H new ATOM 0 HA ARG A 119 10.639 9.677 8.602 1.00 0.28 H new ATOM 0 HB2 ARG A 119 8.502 7.534 8.998 1.00 0.33 H new ATOM 0 HB3 ARG A 119 10.156 7.430 9.567 1.00 0.33 H new ATOM 0 HG2 ARG A 119 8.145 9.518 10.466 1.00 0.47 H new ATOM 0 HG3 ARG A 119 8.525 8.049 11.343 1.00 0.47 H new ATOM 0 HD2 ARG A 119 10.876 8.760 11.572 1.00 1.28 H new ATOM 0 HD3 ARG A 119 10.555 10.198 10.623 1.00 1.28 H new ATOM 0 HE ARG A 119 8.907 9.816 13.057 1.00 1.54 H new ATOM 0 HH11 ARG A 119 11.669 11.408 11.522 1.00 3.26 H new ATOM 0 HH12 ARG A 119 11.738 12.687 12.738 1.00 3.26 H new ATOM 0 HH21 ARG A 119 9.001 11.455 14.582 1.00 2.60 H new ATOM 0 HH22 ARG A 119 10.235 12.714 14.462 1.00 2.60 H new ATOM 1138 N PRO A 120 10.964 8.902 6.126 1.00 0.29 N ATOM 1139 CA PRO A 120 11.490 8.234 4.928 1.00 0.30 C ATOM 1140 C PRO A 120 12.336 7.021 5.285 1.00 0.27 C ATOM 1141 O PRO A 120 12.462 6.076 4.504 1.00 0.28 O ATOM 1142 CB PRO A 120 12.372 9.310 4.284 1.00 0.37 C ATOM 1143 CG PRO A 120 12.659 10.266 5.383 1.00 0.38 C ATOM 1144 CD PRO A 120 11.413 10.293 6.202 1.00 0.35 C ATOM 0 HA PRO A 120 10.695 7.865 4.280 1.00 0.30 H new ATOM 0 HB2 PRO A 120 13.290 8.882 3.881 1.00 0.37 H new ATOM 0 HB3 PRO A 120 11.859 9.800 3.456 1.00 0.37 H new ATOM 0 HG2 PRO A 120 13.514 9.942 5.976 1.00 0.38 H new ATOM 0 HG3 PRO A 120 12.898 11.256 4.994 1.00 0.38 H new ATOM 0 HD2 PRO A 120 11.607 10.603 7.229 1.00 0.35 H new ATOM 0 HD3 PRO A 120 10.673 10.983 5.795 1.00 0.35 H new ATOM 1152 N ALA A 121 12.903 7.065 6.485 1.00 0.25 N ATOM 1153 CA ALA A 121 13.786 6.017 6.978 1.00 0.28 C ATOM 1154 C ALA A 121 13.103 4.649 7.007 1.00 0.27 C ATOM 1155 O ALA A 121 13.752 3.620 6.826 1.00 0.35 O ATOM 1156 CB ALA A 121 14.291 6.388 8.362 1.00 0.33 C ATOM 0 H ALA A 121 12.762 7.831 7.144 1.00 0.25 H new ATOM 0 HA ALA A 121 14.626 5.936 6.288 1.00 0.28 H new ATOM 0 HB1 ALA A 121 14.952 5.603 8.731 1.00 0.33 H new ATOM 0 HB2 ALA A 121 14.839 7.329 8.309 1.00 0.33 H new ATOM 0 HB3 ALA A 121 13.445 6.498 9.040 1.00 0.33 H new ATOM 1162 N LYS A 122 11.797 4.635 7.233 1.00 0.22 N ATOM 1163 CA LYS A 122 11.062 3.387 7.295 1.00 0.27 C ATOM 1164 C LYS A 122 9.945 3.365 6.268 1.00 0.19 C ATOM 1165 O LYS A 122 8.957 2.649 6.429 1.00 0.18 O ATOM 1166 CB LYS A 122 10.529 3.170 8.706 1.00 0.39 C ATOM 1167 CG LYS A 122 11.631 2.834 9.694 1.00 0.49 C ATOM 1168 CD LYS A 122 11.687 1.343 9.979 1.00 0.66 C ATOM 1169 CE LYS A 122 11.196 1.006 11.380 1.00 1.28 C ATOM 1170 NZ LYS A 122 12.156 1.443 12.431 1.00 1.79 N ATOM 0 H LYS A 122 11.230 5.471 7.375 1.00 0.22 H new ATOM 0 HA LYS A 122 11.737 2.566 7.054 1.00 0.27 H new ATOM 0 HB2 LYS A 122 10.009 4.069 9.037 1.00 0.39 H new ATOM 0 HB3 LYS A 122 9.796 2.363 8.695 1.00 0.39 H new ATOM 0 HG2 LYS A 122 12.590 3.166 9.297 1.00 0.49 H new ATOM 0 HG3 LYS A 122 11.465 3.377 10.624 1.00 0.49 H new ATOM 0 HD2 LYS A 122 11.080 0.812 9.246 1.00 0.66 H new ATOM 0 HD3 LYS A 122 12.712 0.990 9.860 1.00 0.66 H new ATOM 0 HE2 LYS A 122 10.231 1.484 11.550 1.00 1.28 H new ATOM 0 HE3 LYS A 122 11.038 -0.070 11.459 1.00 1.28 H new ATOM 0 HZ1 LYS A 122 12.075 0.816 13.257 1.00 1.79 H new ATOM 0 HZ2 LYS A 122 13.125 1.399 12.056 1.00 1.79 H new ATOM 0 HZ3 LYS A 122 11.939 2.420 12.715 1.00 1.79 H new ATOM 1184 N LEU A 123 10.130 4.147 5.207 1.00 0.17 N ATOM 1185 CA LEU A 123 9.226 4.171 4.069 1.00 0.14 C ATOM 1186 C LEU A 123 8.859 2.764 3.612 1.00 0.12 C ATOM 1187 O LEU A 123 7.698 2.476 3.326 1.00 0.12 O ATOM 1188 CB LEU A 123 9.908 4.915 2.932 1.00 0.16 C ATOM 1189 CG LEU A 123 9.289 4.718 1.560 1.00 0.14 C ATOM 1190 CD1 LEU A 123 8.130 5.668 1.336 1.00 0.15 C ATOM 1191 CD2 LEU A 123 10.349 4.900 0.509 1.00 0.21 C ATOM 0 H LEU A 123 10.920 4.786 5.116 1.00 0.17 H new ATOM 0 HA LEU A 123 8.304 4.672 4.363 1.00 0.14 H new ATOM 0 HB2 LEU A 123 9.904 5.980 3.164 1.00 0.16 H new ATOM 0 HB3 LEU A 123 10.951 4.602 2.890 1.00 0.16 H new ATOM 0 HG LEU A 123 8.888 3.706 1.494 1.00 0.14 H new ATOM 0 HD11 LEU A 123 7.709 5.501 0.344 1.00 0.15 H new ATOM 0 HD12 LEU A 123 7.363 5.491 2.090 1.00 0.15 H new ATOM 0 HD13 LEU A 123 8.483 6.697 1.412 1.00 0.15 H new ATOM 0 HD21 LEU A 123 9.910 4.760 -0.479 1.00 0.21 H new ATOM 0 HD22 LEU A 123 10.765 5.905 0.582 1.00 0.21 H new ATOM 0 HD23 LEU A 123 11.142 4.168 0.661 1.00 0.21 H new ATOM 1203 N TYR A 124 9.856 1.884 3.572 1.00 0.13 N ATOM 1204 CA TYR A 124 9.656 0.532 3.077 1.00 0.13 C ATOM 1205 C TYR A 124 8.672 -0.210 3.943 1.00 0.13 C ATOM 1206 O TYR A 124 7.832 -0.917 3.431 1.00 0.14 O ATOM 1207 CB TYR A 124 10.968 -0.230 3.015 1.00 0.14 C ATOM 1208 CG TYR A 124 11.862 0.172 1.877 1.00 0.14 C ATOM 1209 CD1 TYR A 124 11.747 -0.455 0.654 1.00 0.14 C ATOM 1210 CD2 TYR A 124 12.828 1.159 2.024 1.00 0.22 C ATOM 1211 CE1 TYR A 124 12.559 -0.121 -0.393 1.00 0.19 C ATOM 1212 CE2 TYR A 124 13.652 1.506 0.970 1.00 0.26 C ATOM 1213 CZ TYR A 124 13.515 0.860 -0.240 1.00 0.24 C ATOM 1214 OH TYR A 124 14.330 1.194 -1.298 1.00 0.31 O ATOM 0 H TYR A 124 10.808 2.086 3.877 1.00 0.13 H new ATOM 0 HA TYR A 124 9.254 0.606 2.067 1.00 0.13 H new ATOM 0 HB2 TYR A 124 11.504 -0.084 3.952 1.00 0.14 H new ATOM 0 HB3 TYR A 124 10.753 -1.295 2.934 1.00 0.14 H new ATOM 0 HD1 TYR A 124 11.001 -1.225 0.521 1.00 0.14 H new ATOM 0 HD2 TYR A 124 12.937 1.662 2.974 1.00 0.22 H new ATOM 0 HE1 TYR A 124 12.452 -0.626 -1.341 1.00 0.19 H new ATOM 0 HE2 TYR A 124 14.398 2.277 1.093 1.00 0.26 H new ATOM 0 HH TYR A 124 14.948 1.904 -1.024 1.00 0.31 H new ATOM 1224 N VAL A 125 8.768 -0.038 5.251 1.00 0.13 N ATOM 1225 CA VAL A 125 7.809 -0.656 6.161 1.00 0.14 C ATOM 1226 C VAL A 125 6.387 -0.354 5.743 1.00 0.12 C ATOM 1227 O VAL A 125 5.575 -1.258 5.607 1.00 0.14 O ATOM 1228 CB VAL A 125 7.996 -0.185 7.606 1.00 0.18 C ATOM 1229 CG1 VAL A 125 6.827 -0.652 8.468 1.00 0.19 C ATOM 1230 CG2 VAL A 125 9.318 -0.702 8.135 1.00 0.23 C ATOM 0 H VAL A 125 9.492 0.518 5.706 1.00 0.13 H new ATOM 0 HA VAL A 125 7.994 -1.729 6.111 1.00 0.14 H new ATOM 0 HB VAL A 125 8.014 0.904 7.640 1.00 0.18 H new ATOM 0 HG11 VAL A 125 6.972 -0.311 9.493 1.00 0.19 H new ATOM 0 HG12 VAL A 125 5.898 -0.239 8.076 1.00 0.19 H new ATOM 0 HG13 VAL A 125 6.775 -1.741 8.452 1.00 0.19 H new ATOM 0 HG21 VAL A 125 9.454 -0.368 9.164 1.00 0.23 H new ATOM 0 HG22 VAL A 125 9.321 -1.792 8.104 1.00 0.23 H new ATOM 0 HG23 VAL A 125 10.131 -0.319 7.519 1.00 0.23 H new ATOM 1240 N TYR A 126 6.106 0.911 5.504 1.00 0.11 N ATOM 1241 CA TYR A 126 4.767 1.333 5.146 1.00 0.11 C ATOM 1242 C TYR A 126 4.430 0.830 3.748 1.00 0.10 C ATOM 1243 O TYR A 126 3.283 0.527 3.458 1.00 0.11 O ATOM 1244 CB TYR A 126 4.675 2.857 5.237 1.00 0.12 C ATOM 1245 CG TYR A 126 5.312 3.402 6.502 1.00 0.12 C ATOM 1246 CD1 TYR A 126 4.880 2.977 7.749 1.00 0.17 C ATOM 1247 CD2 TYR A 126 6.363 4.316 6.448 1.00 0.17 C ATOM 1248 CE1 TYR A 126 5.472 3.447 8.907 1.00 0.20 C ATOM 1249 CE2 TYR A 126 6.959 4.786 7.601 1.00 0.20 C ATOM 1250 CZ TYR A 126 6.512 4.348 8.825 1.00 0.20 C ATOM 1251 OH TYR A 126 7.109 4.818 9.972 1.00 0.25 O ATOM 0 H TYR A 126 6.789 1.667 5.551 1.00 0.11 H new ATOM 0 HA TYR A 126 4.039 0.909 5.838 1.00 0.11 H new ATOM 0 HB2 TYR A 126 5.162 3.300 4.368 1.00 0.12 H new ATOM 0 HB3 TYR A 126 3.628 3.157 5.203 1.00 0.12 H new ATOM 0 HD1 TYR A 126 4.068 2.268 7.817 1.00 0.17 H new ATOM 0 HD2 TYR A 126 6.717 4.662 5.488 1.00 0.17 H new ATOM 0 HE1 TYR A 126 5.121 3.110 9.871 1.00 0.20 H new ATOM 0 HE2 TYR A 126 7.772 5.494 7.542 1.00 0.20 H new ATOM 0 HH TYR A 126 7.825 5.444 9.735 1.00 0.25 H new ATOM 1261 N ILE A 127 5.447 0.730 2.899 1.00 0.11 N ATOM 1262 CA ILE A 127 5.323 0.037 1.620 1.00 0.11 C ATOM 1263 C ILE A 127 4.881 -1.405 1.862 1.00 0.11 C ATOM 1264 O ILE A 127 3.914 -1.884 1.277 1.00 0.11 O ATOM 1265 CB ILE A 127 6.673 0.039 0.860 1.00 0.11 C ATOM 1266 CG1 ILE A 127 7.011 1.456 0.404 1.00 0.12 C ATOM 1267 CG2 ILE A 127 6.635 -0.908 -0.322 1.00 0.13 C ATOM 1268 CD1 ILE A 127 8.479 1.681 0.126 1.00 0.11 C ATOM 0 H ILE A 127 6.372 1.122 3.074 1.00 0.11 H new ATOM 0 HA ILE A 127 4.581 0.558 1.015 1.00 0.11 H new ATOM 0 HB ILE A 127 7.452 -0.309 1.539 1.00 0.11 H new ATOM 0 HG12 ILE A 127 6.443 1.681 -0.498 1.00 0.12 H new ATOM 0 HG13 ILE A 127 6.685 2.160 1.170 1.00 0.12 H new ATOM 0 HG21 ILE A 127 7.596 -0.886 -0.837 1.00 0.13 H new ATOM 0 HG22 ILE A 127 6.434 -1.920 0.029 1.00 0.13 H new ATOM 0 HG23 ILE A 127 5.848 -0.600 -1.010 1.00 0.13 H new ATOM 0 HD11 ILE A 127 8.635 2.712 -0.193 1.00 0.11 H new ATOM 0 HD12 ILE A 127 9.054 1.490 1.032 1.00 0.11 H new ATOM 0 HD13 ILE A 127 8.808 1.004 -0.662 1.00 0.11 H new ATOM 1280 N ASN A 128 5.605 -2.064 2.756 1.00 0.12 N ATOM 1281 CA ASN A 128 5.349 -3.437 3.146 1.00 0.14 C ATOM 1282 C ASN A 128 3.941 -3.603 3.706 1.00 0.14 C ATOM 1283 O ASN A 128 3.169 -4.442 3.233 1.00 0.16 O ATOM 1284 CB ASN A 128 6.364 -3.865 4.212 1.00 0.20 C ATOM 1285 CG ASN A 128 7.780 -4.072 3.693 1.00 0.25 C ATOM 1286 OD1 ASN A 128 8.536 -4.857 4.244 1.00 0.50 O ATOM 1287 ND2 ASN A 128 8.164 -3.363 2.651 1.00 0.26 N ATOM 0 H ASN A 128 6.402 -1.648 3.238 1.00 0.12 H new ATOM 0 HA ASN A 128 5.444 -4.062 2.258 1.00 0.14 H new ATOM 0 HB2 ASN A 128 6.386 -3.110 4.998 1.00 0.20 H new ATOM 0 HB3 ASN A 128 6.020 -4.792 4.671 1.00 0.20 H new ATOM 0 HD21 ASN A 128 9.112 -3.463 2.287 1.00 0.26 H new ATOM 0 HD22 ASN A 128 7.514 -2.714 2.208 1.00 0.26 H new ATOM 1294 N GLU A 129 3.610 -2.803 4.719 1.00 0.13 N ATOM 1295 CA GLU A 129 2.316 -2.915 5.369 1.00 0.16 C ATOM 1296 C GLU A 129 1.185 -2.592 4.410 1.00 0.15 C ATOM 1297 O GLU A 129 0.301 -3.408 4.220 1.00 0.17 O ATOM 1298 CB GLU A 129 2.218 -2.080 6.651 1.00 0.23 C ATOM 1299 CG GLU A 129 2.875 -0.739 6.618 1.00 0.29 C ATOM 1300 CD GLU A 129 2.731 -0.012 7.941 1.00 0.60 C ATOM 1301 OE1 GLU A 129 1.635 0.517 8.225 1.00 0.90 O ATOM 1302 OE2 GLU A 129 3.704 0.014 8.717 1.00 1.03 O ATOM 0 H GLU A 129 4.218 -2.078 5.101 1.00 0.13 H new ATOM 0 HA GLU A 129 2.214 -3.957 5.673 1.00 0.16 H new ATOM 0 HB2 GLU A 129 1.163 -1.939 6.888 1.00 0.23 H new ATOM 0 HB3 GLU A 129 2.654 -2.655 7.468 1.00 0.23 H new ATOM 0 HG2 GLU A 129 3.932 -0.857 6.381 1.00 0.29 H new ATOM 0 HG3 GLU A 129 2.435 -0.138 5.822 1.00 0.29 H new ATOM 1309 N LEU A 130 1.239 -1.424 3.790 1.00 0.14 N ATOM 1310 CA LEU A 130 0.259 -1.011 2.778 1.00 0.15 C ATOM 1311 C LEU A 130 0.057 -2.093 1.705 1.00 0.15 C ATOM 1312 O LEU A 130 -1.070 -2.362 1.290 1.00 0.18 O ATOM 1313 CB LEU A 130 0.748 0.292 2.146 1.00 0.17 C ATOM 1314 CG LEU A 130 -0.115 0.899 1.045 1.00 0.13 C ATOM 1315 CD1 LEU A 130 -1.523 1.161 1.546 1.00 0.12 C ATOM 1316 CD2 LEU A 130 0.533 2.186 0.561 1.00 0.12 C ATOM 0 H LEU A 130 1.963 -0.728 3.970 1.00 0.14 H new ATOM 0 HA LEU A 130 -0.709 -0.861 3.255 1.00 0.15 H new ATOM 0 HB2 LEU A 130 0.855 1.033 2.939 1.00 0.17 H new ATOM 0 HB3 LEU A 130 1.743 0.117 1.737 1.00 0.17 H new ATOM 0 HG LEU A 130 -0.188 0.196 0.215 1.00 0.13 H new ATOM 0 HD11 LEU A 130 -2.120 1.594 0.743 1.00 0.12 H new ATOM 0 HD12 LEU A 130 -1.975 0.223 1.869 1.00 0.12 H new ATOM 0 HD13 LEU A 130 -1.487 1.855 2.386 1.00 0.12 H new ATOM 0 HD21 LEU A 130 -0.078 2.627 -0.227 1.00 0.12 H new ATOM 0 HD22 LEU A 130 0.615 2.887 1.392 1.00 0.12 H new ATOM 0 HD23 LEU A 130 1.527 1.968 0.170 1.00 0.12 H new ATOM 1328 N CYS A 131 1.145 -2.725 1.275 1.00 0.14 N ATOM 1329 CA CYS A 131 1.073 -3.800 0.284 1.00 0.17 C ATOM 1330 C CYS A 131 0.337 -5.022 0.848 1.00 0.18 C ATOM 1331 O CYS A 131 -0.456 -5.667 0.153 1.00 0.21 O ATOM 1332 CB CYS A 131 2.487 -4.192 -0.160 1.00 0.20 C ATOM 1333 SG CYS A 131 2.562 -5.559 -1.340 1.00 0.53 S ATOM 0 H CYS A 131 2.089 -2.513 1.596 1.00 0.14 H new ATOM 0 HA CYS A 131 0.512 -3.437 -0.577 1.00 0.17 H new ATOM 0 HB2 CYS A 131 2.967 -3.320 -0.605 1.00 0.20 H new ATOM 0 HB3 CYS A 131 3.068 -4.460 0.722 1.00 0.20 H new ATOM 0 HG CYS A 131 3.802 -5.801 -1.645 1.00 0.53 H new ATOM 1339 N THR A 132 0.599 -5.334 2.111 1.00 0.19 N ATOM 1340 CA THR A 132 -0.076 -6.436 2.783 1.00 0.23 C ATOM 1341 C THR A 132 -1.524 -6.059 3.076 1.00 0.21 C ATOM 1342 O THR A 132 -2.434 -6.881 2.970 1.00 0.22 O ATOM 1343 CB THR A 132 0.634 -6.796 4.098 1.00 0.28 C ATOM 1344 OG1 THR A 132 2.036 -6.963 3.856 1.00 0.32 O ATOM 1345 CG2 THR A 132 0.061 -8.076 4.688 1.00 0.36 C ATOM 0 H THR A 132 1.276 -4.838 2.691 1.00 0.19 H new ATOM 0 HA THR A 132 -0.049 -7.303 2.123 1.00 0.23 H new ATOM 0 HB THR A 132 0.477 -5.986 4.810 1.00 0.28 H new ATOM 0 HG1 THR A 132 2.442 -6.091 3.669 1.00 0.32 H new ATOM 0 HG21 THR A 132 0.578 -8.311 5.618 1.00 0.36 H new ATOM 0 HG22 THR A 132 -1.002 -7.940 4.888 1.00 0.36 H new ATOM 0 HG23 THR A 132 0.195 -8.895 3.981 1.00 0.36 H new ATOM 1353 N VAL A 133 -1.708 -4.789 3.409 1.00 0.18 N ATOM 1354 CA VAL A 133 -3.010 -4.201 3.685 1.00 0.17 C ATOM 1355 C VAL A 133 -3.974 -4.499 2.550 1.00 0.18 C ATOM 1356 O VAL A 133 -5.130 -4.867 2.774 1.00 0.19 O ATOM 1357 CB VAL A 133 -2.864 -2.665 3.853 1.00 0.15 C ATOM 1358 CG1 VAL A 133 -4.182 -1.946 3.663 1.00 0.15 C ATOM 1359 CG2 VAL A 133 -2.264 -2.311 5.210 1.00 0.18 C ATOM 0 H VAL A 133 -0.939 -4.125 3.497 1.00 0.18 H new ATOM 0 HA VAL A 133 -3.403 -4.633 4.605 1.00 0.17 H new ATOM 0 HB VAL A 133 -2.183 -2.328 3.071 1.00 0.15 H new ATOM 0 HG11 VAL A 133 -4.033 -0.874 3.789 1.00 0.15 H new ATOM 0 HG12 VAL A 133 -4.563 -2.144 2.661 1.00 0.15 H new ATOM 0 HG13 VAL A 133 -4.900 -2.302 4.401 1.00 0.15 H new ATOM 0 HG21 VAL A 133 -2.175 -1.228 5.297 1.00 0.18 H new ATOM 0 HG22 VAL A 133 -2.911 -2.687 6.003 1.00 0.18 H new ATOM 0 HG23 VAL A 133 -1.277 -2.765 5.301 1.00 0.18 H new ATOM 1369 N LEU A 134 -3.467 -4.366 1.336 1.00 0.18 N ATOM 1370 CA LEU A 134 -4.253 -4.596 0.145 1.00 0.20 C ATOM 1371 C LEU A 134 -4.842 -6.004 0.126 1.00 0.23 C ATOM 1372 O LEU A 134 -6.046 -6.167 0.002 1.00 0.28 O ATOM 1373 CB LEU A 134 -3.384 -4.354 -1.087 1.00 0.19 C ATOM 1374 CG LEU A 134 -2.882 -2.917 -1.215 1.00 0.19 C ATOM 1375 CD1 LEU A 134 -1.962 -2.751 -2.406 1.00 0.21 C ATOM 1376 CD2 LEU A 134 -4.053 -1.971 -1.326 1.00 0.20 C ATOM 0 H LEU A 134 -2.501 -4.096 1.153 1.00 0.18 H new ATOM 0 HA LEU A 134 -5.091 -3.899 0.140 1.00 0.20 H new ATOM 0 HB2 LEU A 134 -2.527 -5.027 -1.053 1.00 0.19 H new ATOM 0 HB3 LEU A 134 -3.955 -4.610 -1.979 1.00 0.19 H new ATOM 0 HG LEU A 134 -2.308 -2.681 -0.319 1.00 0.19 H new ATOM 0 HD11 LEU A 134 -1.625 -1.716 -2.464 1.00 0.21 H new ATOM 0 HD12 LEU A 134 -1.099 -3.407 -2.294 1.00 0.21 H new ATOM 0 HD13 LEU A 134 -2.498 -3.010 -3.319 1.00 0.21 H new ATOM 0 HD21 LEU A 134 -3.687 -0.948 -1.417 1.00 0.20 H new ATOM 0 HD22 LEU A 134 -4.644 -2.225 -2.206 1.00 0.20 H new ATOM 0 HD23 LEU A 134 -4.675 -2.056 -0.435 1.00 0.20 H new ATOM 1388 N LYS A 135 -4.006 -7.014 0.302 1.00 0.25 N ATOM 1389 CA LYS A 135 -4.463 -8.395 0.198 1.00 0.29 C ATOM 1390 C LYS A 135 -5.163 -8.866 1.462 1.00 0.30 C ATOM 1391 O LYS A 135 -6.020 -9.744 1.416 1.00 0.35 O ATOM 1392 CB LYS A 135 -3.305 -9.321 -0.133 1.00 0.33 C ATOM 1393 CG LYS A 135 -3.002 -9.380 -1.617 1.00 0.38 C ATOM 1394 CD LYS A 135 -4.211 -9.856 -2.416 1.00 0.45 C ATOM 1395 CE LYS A 135 -3.840 -10.091 -3.874 1.00 0.91 C ATOM 1396 NZ LYS A 135 -4.975 -10.618 -4.679 1.00 1.59 N ATOM 0 H LYS A 135 -3.014 -6.908 0.516 1.00 0.25 H new ATOM 0 HA LYS A 135 -5.191 -8.428 -0.613 1.00 0.29 H new ATOM 0 HB2 LYS A 135 -2.415 -8.987 0.401 1.00 0.33 H new ATOM 0 HB3 LYS A 135 -3.535 -10.324 0.226 1.00 0.33 H new ATOM 0 HG2 LYS A 135 -2.699 -8.393 -1.967 1.00 0.38 H new ATOM 0 HG3 LYS A 135 -2.162 -10.052 -1.791 1.00 0.38 H new ATOM 0 HD2 LYS A 135 -4.599 -10.778 -1.982 1.00 0.45 H new ATOM 0 HD3 LYS A 135 -5.008 -9.115 -2.354 1.00 0.45 H new ATOM 0 HE2 LYS A 135 -3.494 -9.155 -4.312 1.00 0.91 H new ATOM 0 HE3 LYS A 135 -3.008 -10.793 -3.924 1.00 0.91 H new ATOM 0 HZ1 LYS A 135 -4.667 -10.759 -5.662 1.00 1.59 H new ATOM 0 HZ2 LYS A 135 -5.291 -11.526 -4.281 1.00 1.59 H new ATOM 0 HZ3 LYS A 135 -5.762 -9.938 -4.657 1.00 1.59 H new ATOM 1410 N ALA A 136 -4.779 -8.293 2.587 1.00 0.27 N ATOM 1411 CA ALA A 136 -5.323 -8.699 3.876 1.00 0.30 C ATOM 1412 C ALA A 136 -6.825 -8.451 3.968 1.00 0.31 C ATOM 1413 O ALA A 136 -7.558 -9.241 4.565 1.00 0.37 O ATOM 1414 CB ALA A 136 -4.612 -7.974 5.010 1.00 0.33 C ATOM 0 H ALA A 136 -4.090 -7.542 2.638 1.00 0.27 H new ATOM 0 HA ALA A 136 -5.154 -9.772 3.969 1.00 0.30 H new ATOM 0 HB1 ALA A 136 -5.032 -8.291 5.964 1.00 0.33 H new ATOM 0 HB2 ALA A 136 -3.549 -8.213 4.985 1.00 0.33 H new ATOM 0 HB3 ALA A 136 -4.745 -6.898 4.894 1.00 0.33 H new ATOM 1420 N HIS A 137 -7.286 -7.349 3.386 1.00 0.30 N ATOM 1421 CA HIS A 137 -8.670 -6.946 3.559 1.00 0.35 C ATOM 1422 C HIS A 137 -9.468 -6.995 2.256 1.00 0.35 C ATOM 1423 O HIS A 137 -10.694 -6.890 2.271 1.00 0.54 O ATOM 1424 CB HIS A 137 -8.731 -5.552 4.165 1.00 0.39 C ATOM 1425 CG HIS A 137 -7.854 -5.378 5.368 1.00 0.42 C ATOM 1426 ND1 HIS A 137 -8.136 -5.921 6.602 1.00 0.48 N ATOM 1427 CD2 HIS A 137 -6.668 -4.739 5.504 1.00 0.43 C ATOM 1428 CE1 HIS A 137 -7.161 -5.625 7.442 1.00 0.51 C ATOM 1429 NE2 HIS A 137 -6.258 -4.909 6.800 1.00 0.49 N ATOM 0 H HIS A 137 -6.728 -6.729 2.799 1.00 0.30 H new ATOM 0 HA HIS A 137 -9.133 -7.663 4.237 1.00 0.35 H new ATOM 0 HB2 HIS A 137 -8.442 -4.823 3.408 1.00 0.39 H new ATOM 0 HB3 HIS A 137 -9.762 -5.331 4.443 1.00 0.39 H new ATOM 0 HD2 HIS A 137 -6.142 -4.196 4.733 1.00 0.43 H new ATOM 0 HE1 HIS A 137 -7.111 -5.920 8.480 1.00 0.51 H new ATOM 0 HE2 HIS A 137 -5.396 -4.542 7.203 1.00 0.49 H new ATOM 1438 N SER A 138 -8.780 -7.155 1.139 1.00 0.31 N ATOM 1439 CA SER A 138 -9.441 -7.243 -0.155 1.00 0.33 C ATOM 1440 C SER A 138 -9.404 -8.693 -0.650 1.00 0.55 C ATOM 1441 O SER A 138 -9.046 -9.595 0.108 1.00 1.05 O ATOM 1442 CB SER A 138 -8.815 -6.282 -1.176 1.00 0.38 C ATOM 1443 OG SER A 138 -7.691 -6.866 -1.802 1.00 1.00 O ATOM 0 H SER A 138 -7.763 -7.227 1.100 1.00 0.31 H new ATOM 0 HA SER A 138 -10.481 -6.938 -0.039 1.00 0.33 H new ATOM 0 HB2 SER A 138 -9.556 -6.014 -1.929 1.00 0.38 H new ATOM 0 HB3 SER A 138 -8.519 -5.359 -0.677 1.00 0.38 H new ATOM 0 HG SER A 138 -6.872 -6.459 -1.450 1.00 1.00 H new ATOM 1449 N ALA A 139 -9.818 -8.908 -1.893 1.00 0.38 N ATOM 1450 CA ALA A 139 -9.951 -10.250 -2.457 1.00 0.60 C ATOM 1451 C ALA A 139 -8.704 -11.102 -2.234 1.00 1.01 C ATOM 1452 O ALA A 139 -7.588 -10.700 -2.573 1.00 1.45 O ATOM 1453 CB ALA A 139 -10.257 -10.169 -3.943 1.00 1.41 C ATOM 0 H ALA A 139 -10.071 -8.160 -2.539 1.00 0.38 H new ATOM 0 HA ALA A 139 -10.777 -10.733 -1.935 1.00 0.60 H new ATOM 0 HB1 ALA A 139 -10.353 -11.176 -4.350 1.00 1.41 H new ATOM 0 HB2 ALA A 139 -11.190 -9.626 -4.093 1.00 1.41 H new ATOM 0 HB3 ALA A 139 -9.447 -9.647 -4.453 1.00 1.41 H new ATOM 1459 N LYS A 140 -8.908 -12.284 -1.674 1.00 1.55 N ATOM 1460 CA LYS A 140 -7.819 -13.224 -1.453 1.00 2.37 C ATOM 1461 C LYS A 140 -8.106 -14.509 -2.208 1.00 2.97 C ATOM 1462 O LYS A 140 -7.248 -15.381 -2.330 1.00 3.60 O ATOM 1463 CB LYS A 140 -7.609 -13.497 0.041 1.00 2.91 C ATOM 1464 CG LYS A 140 -8.871 -13.891 0.784 1.00 3.65 C ATOM 1465 CD LYS A 140 -8.600 -14.111 2.264 1.00 4.31 C ATOM 1466 CE LYS A 140 -7.831 -15.397 2.518 1.00 5.16 C ATOM 1467 NZ LYS A 140 -8.605 -16.599 2.112 1.00 5.98 N ATOM 0 H LYS A 140 -9.821 -12.617 -1.363 1.00 1.55 H new ATOM 0 HA LYS A 140 -6.894 -12.786 -1.829 1.00 2.37 H new ATOM 0 HB2 LYS A 140 -6.871 -14.292 0.154 1.00 2.91 H new ATOM 0 HB3 LYS A 140 -7.190 -12.605 0.507 1.00 2.91 H new ATOM 0 HG2 LYS A 140 -9.624 -13.112 0.663 1.00 3.65 H new ATOM 0 HG3 LYS A 140 -9.281 -14.802 0.349 1.00 3.65 H new ATOM 0 HD2 LYS A 140 -8.034 -13.267 2.658 1.00 4.31 H new ATOM 0 HD3 LYS A 140 -9.546 -14.142 2.805 1.00 4.31 H new ATOM 0 HE2 LYS A 140 -6.889 -15.370 1.970 1.00 5.16 H new ATOM 0 HE3 LYS A 140 -7.582 -15.467 3.577 1.00 5.16 H new ATOM 0 HZ1 LYS A 140 -8.190 -17.445 2.553 1.00 5.98 H new ATOM 0 HZ2 LYS A 140 -9.593 -16.497 2.422 1.00 5.98 H new ATOM 0 HZ3 LYS A 140 -8.575 -16.698 1.077 1.00 5.98 H new ATOM 1481 N LYS A 141 -9.341 -14.619 -2.692 1.00 3.06 N ATOM 1482 CA LYS A 141 -9.707 -15.641 -3.650 1.00 3.93 C ATOM 1483 C LYS A 141 -8.802 -15.513 -4.867 1.00 4.23 C ATOM 1484 O LYS A 141 -8.284 -16.499 -5.389 1.00 4.43 O ATOM 1485 CB LYS A 141 -11.172 -15.459 -4.036 1.00 4.13 C ATOM 1486 CG LYS A 141 -11.556 -16.159 -5.325 1.00 5.03 C ATOM 1487 CD LYS A 141 -13.010 -15.911 -5.704 1.00 5.51 C ATOM 1488 CE LYS A 141 -13.976 -16.807 -4.933 1.00 6.31 C ATOM 1489 NZ LYS A 141 -14.029 -16.494 -3.479 1.00 6.50 N ATOM 0 H LYS A 141 -10.108 -14.001 -2.428 1.00 3.06 H new ATOM 0 HA LYS A 141 -9.584 -16.636 -3.222 1.00 3.93 H new ATOM 0 HB2 LYS A 141 -11.800 -15.834 -3.228 1.00 4.13 H new ATOM 0 HB3 LYS A 141 -11.383 -14.394 -4.135 1.00 4.13 H new ATOM 0 HG2 LYS A 141 -10.908 -15.813 -6.131 1.00 5.03 H new ATOM 0 HG3 LYS A 141 -11.388 -17.231 -5.218 1.00 5.03 H new ATOM 0 HD2 LYS A 141 -13.258 -14.867 -5.515 1.00 5.51 H new ATOM 0 HD3 LYS A 141 -13.137 -16.080 -6.773 1.00 5.51 H new ATOM 0 HE2 LYS A 141 -14.975 -16.704 -5.357 1.00 6.31 H new ATOM 0 HE3 LYS A 141 -13.680 -17.848 -5.064 1.00 6.31 H new ATOM 0 HZ1 LYS A 141 -14.989 -16.671 -3.121 1.00 6.50 H new ATOM 0 HZ2 LYS A 141 -13.352 -17.097 -2.969 1.00 6.50 H new ATOM 0 HZ3 LYS A 141 -13.783 -15.495 -3.330 1.00 6.50 H new ATOM 1503 N LYS A 142 -8.626 -14.275 -5.308 1.00 4.72 N ATOM 1504 CA LYS A 142 -7.597 -13.947 -6.272 1.00 5.36 C ATOM 1505 C LYS A 142 -6.232 -14.129 -5.624 1.00 5.84 C ATOM 1506 O LYS A 142 -5.742 -13.239 -4.927 1.00 6.44 O ATOM 1507 CB LYS A 142 -7.764 -12.506 -6.763 1.00 6.09 C ATOM 1508 CG LYS A 142 -9.105 -12.235 -7.425 1.00 6.27 C ATOM 1509 CD LYS A 142 -9.338 -13.182 -8.589 1.00 6.25 C ATOM 1510 CE LYS A 142 -10.619 -12.853 -9.341 1.00 7.00 C ATOM 1511 NZ LYS A 142 -10.744 -13.648 -10.591 1.00 7.51 N ATOM 0 H LYS A 142 -9.189 -13.479 -5.008 1.00 4.72 H new ATOM 0 HA LYS A 142 -7.683 -14.611 -7.132 1.00 5.36 H new ATOM 0 HB2 LYS A 142 -7.643 -11.828 -5.918 1.00 6.09 H new ATOM 0 HB3 LYS A 142 -6.967 -12.279 -7.471 1.00 6.09 H new ATOM 0 HG2 LYS A 142 -9.905 -12.348 -6.694 1.00 6.27 H new ATOM 0 HG3 LYS A 142 -9.139 -11.204 -7.778 1.00 6.27 H new ATOM 0 HD2 LYS A 142 -8.492 -13.130 -9.274 1.00 6.25 H new ATOM 0 HD3 LYS A 142 -9.387 -14.206 -8.219 1.00 6.25 H new ATOM 0 HE2 LYS A 142 -11.478 -13.048 -8.699 1.00 7.00 H new ATOM 0 HE3 LYS A 142 -10.636 -11.790 -9.583 1.00 7.00 H new ATOM 0 HZ1 LYS A 142 -11.629 -13.396 -11.076 1.00 7.51 H new ATOM 0 HZ2 LYS A 142 -9.937 -13.443 -11.215 1.00 7.51 H new ATOM 0 HZ3 LYS A 142 -10.753 -14.662 -10.358 1.00 7.51 H new ATOM 1525 N LEU A 143 -5.646 -15.302 -5.830 1.00 5.94 N ATOM 1526 CA LEU A 143 -4.371 -15.644 -5.275 1.00 6.75 C ATOM 1527 C LEU A 143 -3.282 -14.709 -5.796 1.00 7.48 C ATOM 1528 O LEU A 143 -2.246 -14.517 -5.160 1.00 8.28 O ATOM 1529 CB LEU A 143 -4.065 -17.089 -5.638 1.00 7.07 C ATOM 1530 CG LEU A 143 -2.777 -17.622 -5.061 1.00 7.20 C ATOM 1531 CD1 LEU A 143 -2.864 -17.681 -3.546 1.00 7.67 C ATOM 1532 CD2 LEU A 143 -2.447 -18.986 -5.642 1.00 7.50 C ATOM 0 H LEU A 143 -6.060 -16.042 -6.397 1.00 5.94 H new ATOM 0 HA LEU A 143 -4.398 -15.533 -4.191 1.00 6.75 H new ATOM 0 HB2 LEU A 143 -4.888 -17.717 -5.298 1.00 7.07 H new ATOM 0 HB3 LEU A 143 -4.025 -17.177 -6.724 1.00 7.07 H new ATOM 0 HG LEU A 143 -1.969 -16.942 -5.332 1.00 7.20 H new ATOM 0 HD11 LEU A 143 -1.928 -18.067 -3.143 1.00 7.67 H new ATOM 0 HD12 LEU A 143 -3.043 -16.680 -3.153 1.00 7.67 H new ATOM 0 HD13 LEU A 143 -3.683 -18.338 -3.254 1.00 7.67 H new ATOM 0 HD21 LEU A 143 -1.514 -19.349 -5.211 1.00 7.50 H new ATOM 0 HD22 LEU A 143 -3.251 -19.685 -5.409 1.00 7.50 H new ATOM 0 HD23 LEU A 143 -2.339 -18.904 -6.724 1.00 7.50 H new ATOM 1544 N ASN A 144 -3.527 -14.143 -6.969 1.00 7.45 N ATOM 1545 CA ASN A 144 -2.632 -13.165 -7.555 1.00 8.37 C ATOM 1546 C ASN A 144 -2.872 -11.800 -6.934 1.00 8.41 C ATOM 1547 O ASN A 144 -1.957 -11.278 -6.266 1.00 8.66 O ATOM 1548 CB ASN A 144 -2.827 -13.095 -9.072 1.00 8.96 C ATOM 1549 CG ASN A 144 -2.307 -14.328 -9.782 1.00 9.14 C ATOM 1550 OD1 ASN A 144 -1.147 -14.378 -10.187 1.00 9.67 O ATOM 1551 ND2 ASN A 144 -3.155 -15.333 -9.930 1.00 8.96 N ATOM 1552 OXT ASN A 144 -3.993 -11.269 -7.087 1.00 8.44 O ATOM 0 H ASN A 144 -4.349 -14.350 -7.536 1.00 7.45 H new ATOM 0 HA ASN A 144 -1.606 -13.472 -7.353 1.00 8.37 H new ATOM 0 HB2 ASN A 144 -3.887 -12.972 -9.293 1.00 8.96 H new ATOM 0 HB3 ASN A 144 -2.316 -12.214 -9.460 1.00 8.96 H new ATOM 0 HD21 ASN A 144 -2.854 -16.190 -10.395 1.00 8.96 H new ATOM 0 HD22 ASN A 144 -4.109 -15.251 -9.579 1.00 8.96 H new TER 1559 ASN A 144 ATOM 1560 N GLY B 22 -3.565 -18.897 6.844 1.00 6.31 N ATOM 1561 CA GLY B 22 -3.981 -17.969 5.768 1.00 6.12 C ATOM 1562 C GLY B 22 -2.828 -17.606 4.862 1.00 5.43 C ATOM 1563 O GLY B 22 -1.722 -18.130 5.010 1.00 5.38 O ATOM 0 HA2 GLY B 22 -4.775 -18.428 5.179 1.00 6.12 H new ATOM 0 HA3 GLY B 22 -4.395 -17.063 6.210 1.00 6.12 H new ATOM 1569 N SER B 23 -3.074 -16.704 3.928 1.00 5.22 N ATOM 1570 CA SER B 23 -2.054 -16.293 2.983 1.00 4.79 C ATOM 1571 C SER B 23 -1.286 -15.094 3.517 1.00 4.18 C ATOM 1572 O SER B 23 -1.491 -13.960 3.084 1.00 4.62 O ATOM 1573 CB SER B 23 -2.684 -15.970 1.629 1.00 5.71 C ATOM 1574 OG SER B 23 -3.274 -17.129 1.060 1.00 6.30 O ATOM 0 H SER B 23 -3.975 -16.242 3.805 1.00 5.22 H new ATOM 0 HA SER B 23 -1.352 -17.116 2.849 1.00 4.79 H new ATOM 0 HB2 SER B 23 -3.439 -15.194 1.750 1.00 5.71 H new ATOM 0 HB3 SER B 23 -1.925 -15.574 0.954 1.00 5.71 H new ATOM 0 HG SER B 23 -3.673 -16.901 0.195 1.00 6.30 H new ATOM 1580 N GLN B 24 -0.426 -15.351 4.487 1.00 3.65 N ATOM 1581 CA GLN B 24 0.449 -14.323 5.010 1.00 3.63 C ATOM 1582 C GLN B 24 1.715 -14.290 4.175 1.00 2.91 C ATOM 1583 O GLN B 24 2.027 -13.274 3.554 1.00 3.33 O ATOM 1584 CB GLN B 24 0.780 -14.591 6.475 1.00 4.12 C ATOM 1585 CG GLN B 24 -0.446 -14.683 7.352 1.00 4.90 C ATOM 1586 CD GLN B 24 -1.321 -13.447 7.290 1.00 5.51 C ATOM 1587 OE1 GLN B 24 -0.843 -12.337 7.059 1.00 5.87 O ATOM 1588 NE2 GLN B 24 -2.614 -13.632 7.498 1.00 6.00 N ATOM 0 H GLN B 24 -0.317 -16.265 4.927 1.00 3.65 H new ATOM 0 HA GLN B 24 -0.051 -13.356 4.956 1.00 3.63 H new ATOM 0 HB2 GLN B 24 1.343 -15.521 6.550 1.00 4.12 H new ATOM 0 HB3 GLN B 24 1.426 -13.796 6.847 1.00 4.12 H new ATOM 0 HG2 GLN B 24 -1.034 -15.551 7.053 1.00 4.90 H new ATOM 0 HG3 GLN B 24 -0.135 -14.848 8.384 1.00 4.90 H new ATOM 0 HE21 GLN B 24 -2.971 -14.569 7.686 1.00 6.00 H new ATOM 0 HE22 GLN B 24 -3.254 -12.838 7.470 1.00 6.00 H new ATOM 1597 N GLU B 25 2.407 -15.433 4.146 1.00 2.35 N ATOM 1598 CA GLU B 25 3.604 -15.624 3.340 1.00 2.01 C ATOM 1599 C GLU B 25 4.543 -14.422 3.442 1.00 1.56 C ATOM 1600 O GLU B 25 4.663 -13.807 4.509 1.00 1.77 O ATOM 1601 CB GLU B 25 3.194 -15.914 1.892 1.00 2.30 C ATOM 1602 CG GLU B 25 2.229 -17.089 1.782 1.00 2.88 C ATOM 1603 CD GLU B 25 1.839 -17.430 0.356 1.00 3.50 C ATOM 1604 OE1 GLU B 25 2.712 -17.896 -0.409 1.00 4.06 O ATOM 1605 OE2 GLU B 25 0.648 -17.287 0.010 1.00 3.84 O ATOM 0 H GLU B 25 2.145 -16.256 4.689 1.00 2.35 H new ATOM 0 HA GLU B 25 4.162 -16.479 3.721 1.00 2.01 H new ATOM 0 HB2 GLU B 25 2.729 -15.025 1.465 1.00 2.30 H new ATOM 0 HB3 GLU B 25 4.085 -16.124 1.301 1.00 2.30 H new ATOM 0 HG2 GLU B 25 2.684 -17.965 2.244 1.00 2.88 H new ATOM 0 HG3 GLU B 25 1.327 -16.861 2.351 1.00 2.88 H new ATOM 1612 N ASP B 26 5.228 -14.097 2.361 1.00 1.15 N ATOM 1613 CA ASP B 26 6.044 -12.897 2.343 1.00 0.84 C ATOM 1614 C ASP B 26 5.157 -11.689 2.123 1.00 0.89 C ATOM 1615 O ASP B 26 4.780 -11.372 0.998 1.00 1.83 O ATOM 1616 CB ASP B 26 7.118 -12.945 1.263 1.00 0.68 C ATOM 1617 CG ASP B 26 8.098 -14.085 1.450 1.00 1.00 C ATOM 1618 OD1 ASP B 26 9.055 -13.927 2.234 1.00 1.27 O ATOM 1619 OD2 ASP B 26 7.911 -15.150 0.820 1.00 1.49 O ATOM 0 H ASP B 26 5.237 -14.638 1.496 1.00 1.15 H new ATOM 0 HA ASP B 26 6.551 -12.827 3.306 1.00 0.84 H new ATOM 0 HB2 ASP B 26 6.640 -13.041 0.288 1.00 0.68 H new ATOM 0 HB3 ASP B 26 7.664 -12.001 1.259 1.00 0.68 H new ATOM 1624 N SER B 27 4.809 -11.042 3.208 1.00 0.55 N ATOM 1625 CA SER B 27 3.984 -9.859 3.158 1.00 0.54 C ATOM 1626 C SER B 27 4.862 -8.626 3.081 1.00 0.44 C ATOM 1627 O SER B 27 4.881 -7.908 2.081 1.00 0.53 O ATOM 1628 CB SER B 27 3.073 -9.817 4.383 1.00 0.75 C ATOM 1629 OG SER B 27 3.791 -10.109 5.573 1.00 1.37 O ATOM 0 H SER B 27 5.089 -11.319 4.149 1.00 0.55 H new ATOM 0 HA SER B 27 3.356 -9.883 2.268 1.00 0.54 H new ATOM 0 HB2 SER B 27 2.616 -8.831 4.465 1.00 0.75 H new ATOM 0 HB3 SER B 27 2.262 -10.535 4.260 1.00 0.75 H new ATOM 0 HG SER B 27 3.182 -10.073 6.340 1.00 1.37 H new ATOM 1635 N ASP B 28 5.601 -8.414 4.142 1.00 0.43 N ATOM 1636 CA ASP B 28 6.598 -7.360 4.190 1.00 0.37 C ATOM 1637 C ASP B 28 7.903 -7.856 3.587 1.00 0.33 C ATOM 1638 O ASP B 28 8.568 -7.143 2.837 1.00 0.31 O ATOM 1639 CB ASP B 28 6.810 -6.859 5.634 1.00 0.44 C ATOM 1640 CG ASP B 28 7.115 -7.965 6.627 1.00 0.95 C ATOM 1641 OD1 ASP B 28 8.258 -8.470 6.624 1.00 1.83 O ATOM 1642 OD2 ASP B 28 6.225 -8.344 7.408 1.00 1.07 O ATOM 0 H ASP B 28 5.533 -8.964 4.998 1.00 0.43 H new ATOM 0 HA ASP B 28 6.239 -6.515 3.602 1.00 0.37 H new ATOM 0 HB2 ASP B 28 7.629 -6.140 5.643 1.00 0.44 H new ATOM 0 HB3 ASP B 28 5.916 -6.328 5.959 1.00 0.44 H new ATOM 1647 N SER B 29 8.230 -9.112 3.858 1.00 0.36 N ATOM 1648 CA SER B 29 9.473 -9.693 3.384 1.00 0.34 C ATOM 1649 C SER B 29 9.496 -9.780 1.869 1.00 0.33 C ATOM 1650 O SER B 29 10.558 -9.878 1.262 1.00 0.34 O ATOM 1651 CB SER B 29 9.689 -11.061 4.008 1.00 0.39 C ATOM 1652 OG SER B 29 8.559 -11.895 3.838 1.00 1.07 O ATOM 0 H SER B 29 7.649 -9.747 4.405 1.00 0.36 H new ATOM 0 HA SER B 29 10.291 -9.040 3.689 1.00 0.34 H new ATOM 0 HB2 SER B 29 10.562 -11.533 3.557 1.00 0.39 H new ATOM 0 HB3 SER B 29 9.901 -10.947 5.071 1.00 0.39 H new ATOM 0 HG SER B 29 8.846 -12.770 3.502 1.00 1.07 H new ATOM 1658 N GLU B 30 8.312 -9.723 1.279 1.00 0.35 N ATOM 1659 CA GLU B 30 8.155 -9.702 -0.171 1.00 0.37 C ATOM 1660 C GLU B 30 8.966 -8.558 -0.774 1.00 0.34 C ATOM 1661 O GLU B 30 9.579 -8.692 -1.829 1.00 0.39 O ATOM 1662 CB GLU B 30 6.690 -9.513 -0.527 1.00 0.45 C ATOM 1663 CG GLU B 30 6.398 -9.719 -1.983 1.00 0.68 C ATOM 1664 CD GLU B 30 6.471 -11.171 -2.417 1.00 1.37 C ATOM 1665 OE1 GLU B 30 7.571 -11.761 -2.329 1.00 1.57 O ATOM 1666 OE2 GLU B 30 5.443 -11.731 -2.855 1.00 2.33 O ATOM 0 H GLU B 30 7.430 -9.690 1.791 1.00 0.35 H new ATOM 0 HA GLU B 30 8.514 -10.650 -0.573 1.00 0.37 H new ATOM 0 HB2 GLU B 30 6.089 -10.209 0.058 1.00 0.45 H new ATOM 0 HB3 GLU B 30 6.381 -8.507 -0.241 1.00 0.45 H new ATOM 0 HG2 GLU B 30 5.403 -9.332 -2.204 1.00 0.68 H new ATOM 0 HG3 GLU B 30 7.105 -9.136 -2.573 1.00 0.68 H new ATOM 1673 N LEU B 31 8.955 -7.433 -0.081 1.00 0.28 N ATOM 1674 CA LEU B 31 9.714 -6.271 -0.475 1.00 0.24 C ATOM 1675 C LEU B 31 11.175 -6.498 -0.165 1.00 0.25 C ATOM 1676 O LEU B 31 12.061 -6.301 -0.996 1.00 0.26 O ATOM 1677 CB LEU B 31 9.270 -5.068 0.319 1.00 0.20 C ATOM 1678 CG LEU B 31 7.861 -4.521 0.072 1.00 0.20 C ATOM 1679 CD1 LEU B 31 7.725 -3.920 -1.308 1.00 0.19 C ATOM 1680 CD2 LEU B 31 6.807 -5.578 0.309 1.00 0.24 C ATOM 0 H LEU B 31 8.415 -7.305 0.775 1.00 0.28 H new ATOM 0 HA LEU B 31 9.558 -6.103 -1.541 1.00 0.24 H new ATOM 0 HB2 LEU B 31 9.350 -5.319 1.377 1.00 0.20 H new ATOM 0 HB3 LEU B 31 9.979 -4.262 0.128 1.00 0.20 H new ATOM 0 HG LEU B 31 7.700 -3.721 0.795 1.00 0.20 H new ATOM 0 HD11 LEU B 31 6.711 -3.544 -1.443 1.00 0.19 H new ATOM 0 HD12 LEU B 31 8.434 -3.100 -1.419 1.00 0.19 H new ATOM 0 HD13 LEU B 31 7.932 -4.683 -2.059 1.00 0.19 H new ATOM 0 HD21 LEU B 31 5.820 -5.155 0.125 1.00 0.24 H new ATOM 0 HD22 LEU B 31 6.974 -6.417 -0.367 1.00 0.24 H new ATOM 0 HD23 LEU B 31 6.866 -5.926 1.340 1.00 0.24 H new ATOM 1692 N GLU B 32 11.386 -6.914 1.071 1.00 0.26 N ATOM 1693 CA GLU B 32 12.715 -7.131 1.638 1.00 0.29 C ATOM 1694 C GLU B 32 13.573 -8.044 0.775 1.00 0.33 C ATOM 1695 O GLU B 32 14.799 -8.034 0.882 1.00 0.38 O ATOM 1696 CB GLU B 32 12.612 -7.733 3.036 1.00 0.29 C ATOM 1697 CG GLU B 32 11.566 -7.086 3.932 1.00 0.26 C ATOM 1698 CD GLU B 32 11.678 -7.561 5.368 1.00 0.34 C ATOM 1699 OE1 GLU B 32 11.555 -8.781 5.606 1.00 0.59 O ATOM 1700 OE2 GLU B 32 11.917 -6.727 6.264 1.00 0.47 O ATOM 0 H GLU B 32 10.629 -7.115 1.724 1.00 0.26 H new ATOM 0 HA GLU B 32 13.193 -6.152 1.683 1.00 0.29 H new ATOM 0 HB2 GLU B 32 12.385 -8.795 2.944 1.00 0.29 H new ATOM 0 HB3 GLU B 32 13.585 -7.656 3.522 1.00 0.29 H new ATOM 0 HG2 GLU B 32 11.680 -6.002 3.898 1.00 0.26 H new ATOM 0 HG3 GLU B 32 10.571 -7.314 3.551 1.00 0.26 H new ATOM 1707 N GLN B 33 12.918 -8.833 -0.058 1.00 0.35 N ATOM 1708 CA GLN B 33 13.596 -9.727 -0.991 1.00 0.40 C ATOM 1709 C GLN B 33 14.653 -8.979 -1.784 1.00 0.39 C ATOM 1710 O GLN B 33 15.798 -9.417 -1.887 1.00 0.48 O ATOM 1711 CB GLN B 33 12.590 -10.331 -1.967 1.00 0.43 C ATOM 1712 CG GLN B 33 11.452 -11.052 -1.298 1.00 0.47 C ATOM 1713 CD GLN B 33 11.900 -12.273 -0.528 1.00 0.57 C ATOM 1714 OE1 GLN B 33 11.953 -13.380 -1.063 1.00 0.66 O ATOM 1715 NE2 GLN B 33 12.215 -12.083 0.737 1.00 0.57 N ATOM 0 H GLN B 33 11.900 -8.875 -0.110 1.00 0.35 H new ATOM 0 HA GLN B 33 14.072 -10.517 -0.410 1.00 0.40 H new ATOM 0 HB2 GLN B 33 12.186 -9.537 -2.595 1.00 0.43 H new ATOM 0 HB3 GLN B 33 13.110 -11.026 -2.627 1.00 0.43 H new ATOM 0 HG2 GLN B 33 10.944 -10.367 -0.619 1.00 0.47 H new ATOM 0 HG3 GLN B 33 10.725 -11.351 -2.053 1.00 0.47 H new ATOM 0 HE21 GLN B 33 12.157 -11.149 1.142 1.00 0.57 H new ATOM 0 HE22 GLN B 33 12.516 -12.870 1.311 1.00 0.57 H new ATOM 1724 N TYR B 34 14.264 -7.839 -2.326 1.00 0.32 N ATOM 1725 CA TYR B 34 15.122 -7.103 -3.232 1.00 0.32 C ATOM 1726 C TYR B 34 15.429 -5.685 -2.750 1.00 0.30 C ATOM 1727 O TYR B 34 16.375 -5.065 -3.241 1.00 0.37 O ATOM 1728 CB TYR B 34 14.486 -7.062 -4.623 1.00 0.32 C ATOM 1729 CG TYR B 34 12.975 -7.154 -4.611 1.00 0.30 C ATOM 1730 CD1 TYR B 34 12.207 -6.217 -3.936 1.00 0.26 C ATOM 1731 CD2 TYR B 34 12.319 -8.174 -5.282 1.00 0.38 C ATOM 1732 CE1 TYR B 34 10.840 -6.289 -3.925 1.00 0.26 C ATOM 1733 CE2 TYR B 34 10.941 -8.257 -5.278 1.00 0.42 C ATOM 1734 CZ TYR B 34 10.205 -7.311 -4.599 1.00 0.34 C ATOM 1735 OH TYR B 34 8.833 -7.393 -4.595 1.00 0.40 O ATOM 0 H TYR B 34 13.358 -7.404 -2.153 1.00 0.32 H new ATOM 0 HA TYR B 34 16.075 -7.630 -3.269 1.00 0.32 H new ATOM 0 HB2 TYR B 34 14.780 -6.137 -5.119 1.00 0.32 H new ATOM 0 HB3 TYR B 34 14.885 -7.883 -5.218 1.00 0.32 H new ATOM 0 HD1 TYR B 34 12.698 -5.413 -3.408 1.00 0.26 H new ATOM 0 HD2 TYR B 34 12.895 -8.915 -5.816 1.00 0.38 H new ATOM 0 HE1 TYR B 34 10.262 -5.549 -3.391 1.00 0.26 H new ATOM 0 HE2 TYR B 34 10.443 -9.058 -5.804 1.00 0.42 H new ATOM 0 HH TYR B 34 8.457 -6.574 -4.210 1.00 0.40 H new ATOM 1745 N PHE B 35 14.653 -5.158 -1.807 1.00 0.27 N ATOM 1746 CA PHE B 35 14.896 -3.798 -1.343 1.00 0.26 C ATOM 1747 C PHE B 35 14.327 -3.534 0.047 1.00 0.25 C ATOM 1748 O PHE B 35 13.284 -4.064 0.405 1.00 0.25 O ATOM 1749 CB PHE B 35 14.351 -2.773 -2.351 1.00 0.25 C ATOM 1750 CG PHE B 35 12.900 -2.904 -2.720 1.00 0.21 C ATOM 1751 CD1 PHE B 35 11.908 -2.868 -1.764 1.00 0.18 C ATOM 1752 CD2 PHE B 35 12.536 -3.037 -4.049 1.00 0.22 C ATOM 1753 CE1 PHE B 35 10.586 -2.963 -2.113 1.00 0.16 C ATOM 1754 CE2 PHE B 35 11.208 -3.138 -4.410 1.00 0.21 C ATOM 1755 CZ PHE B 35 10.230 -3.101 -3.438 1.00 0.18 C ATOM 0 H PHE B 35 13.871 -5.637 -1.360 1.00 0.27 H new ATOM 0 HA PHE B 35 15.977 -3.685 -1.267 1.00 0.26 H new ATOM 0 HB2 PHE B 35 14.511 -1.775 -1.943 1.00 0.25 H new ATOM 0 HB3 PHE B 35 14.943 -2.843 -3.263 1.00 0.25 H new ATOM 0 HD1 PHE B 35 12.177 -2.763 -0.723 1.00 0.18 H new ATOM 0 HD2 PHE B 35 13.300 -3.062 -4.812 1.00 0.22 H new ATOM 0 HE1 PHE B 35 9.823 -2.930 -1.350 1.00 0.16 H new ATOM 0 HE2 PHE B 35 10.935 -3.246 -5.449 1.00 0.21 H new ATOM 0 HZ PHE B 35 9.189 -3.180 -3.714 1.00 0.18 H new ATOM 1765 N THR B 36 15.055 -2.723 0.821 1.00 0.27 N ATOM 1766 CA THR B 36 14.597 -2.206 2.111 1.00 0.27 C ATOM 1767 C THR B 36 15.520 -1.084 2.582 1.00 0.32 C ATOM 1768 O THR B 36 16.339 -0.586 1.808 1.00 0.45 O ATOM 1769 CB THR B 36 14.516 -3.293 3.203 1.00 0.27 C ATOM 1770 OG1 THR B 36 15.536 -4.281 3.012 1.00 0.31 O ATOM 1771 CG2 THR B 36 13.147 -3.937 3.207 1.00 0.27 C ATOM 0 H THR B 36 15.989 -2.404 0.565 1.00 0.27 H new ATOM 0 HA THR B 36 13.587 -1.828 1.954 1.00 0.27 H new ATOM 0 HB THR B 36 14.678 -2.819 4.171 1.00 0.27 H new ATOM 0 HG1 THR B 36 15.469 -4.960 3.715 1.00 0.31 H new ATOM 0 HG21 THR B 36 13.107 -4.701 3.983 1.00 0.27 H new ATOM 0 HG22 THR B 36 12.389 -3.179 3.405 1.00 0.27 H new ATOM 0 HG23 THR B 36 12.958 -4.395 2.236 1.00 0.27 H new ATOM 1779 N ALA B 37 15.382 -0.689 3.841 1.00 0.32 N ATOM 1780 CA ALA B 37 16.171 0.406 4.400 1.00 0.35 C ATOM 1781 C ALA B 37 16.790 -0.002 5.725 1.00 0.43 C ATOM 1782 O ALA B 37 16.805 -1.183 6.071 1.00 0.53 O ATOM 1783 CB ALA B 37 15.303 1.639 4.604 1.00 0.29 C ATOM 0 H ALA B 37 14.728 -1.112 4.499 1.00 0.32 H new ATOM 0 HA ALA B 37 16.967 0.641 3.693 1.00 0.35 H new ATOM 0 HB1 ALA B 37 15.907 2.445 5.021 1.00 0.29 H new ATOM 0 HB2 ALA B 37 14.889 1.955 3.647 1.00 0.29 H new ATOM 0 HB3 ALA B 37 14.490 1.402 5.291 1.00 0.29 H new ATOM 1789 N ARG B 38 17.295 0.983 6.456 1.00 0.44 N ATOM 1790 CA ARG B 38 17.881 0.758 7.773 1.00 0.52 C ATOM 1791 C ARG B 38 16.926 -0.002 8.696 1.00 0.56 C ATOM 1792 O ARG B 38 17.313 -1.001 9.302 1.00 0.67 O ATOM 1793 CB ARG B 38 18.310 2.092 8.413 1.00 0.57 C ATOM 1794 CG ARG B 38 17.166 2.991 8.870 1.00 0.67 C ATOM 1795 CD ARG B 38 16.733 3.961 7.796 1.00 0.93 C ATOM 1796 NE ARG B 38 17.659 5.084 7.661 1.00 1.60 N ATOM 1797 CZ ARG B 38 17.723 5.889 6.598 1.00 2.28 C ATOM 1798 NH1 ARG B 38 16.958 5.669 5.534 1.00 2.75 N ATOM 1799 NH2 ARG B 38 18.560 6.916 6.599 1.00 2.94 N ATOM 0 H ARG B 38 17.311 1.957 6.155 1.00 0.44 H new ATOM 0 HA ARG B 38 18.767 0.138 7.636 1.00 0.52 H new ATOM 0 HB2 ARG B 38 18.947 1.877 9.271 1.00 0.57 H new ATOM 0 HB3 ARG B 38 18.918 2.642 7.695 1.00 0.57 H new ATOM 0 HG2 ARG B 38 16.317 2.374 9.162 1.00 0.67 H new ATOM 0 HG3 ARG B 38 17.475 3.547 9.755 1.00 0.67 H new ATOM 0 HD2 ARG B 38 16.659 3.437 6.843 1.00 0.93 H new ATOM 0 HD3 ARG B 38 15.738 4.339 8.030 1.00 0.93 H new ATOM 0 HE ARG B 38 18.301 5.265 8.433 1.00 1.60 H new ATOM 0 HH11 ARG B 38 16.313 4.878 5.524 1.00 2.75 H new ATOM 0 HH12 ARG B 38 17.015 6.291 4.727 1.00 2.75 H new ATOM 0 HH21 ARG B 38 19.153 7.090 7.410 1.00 2.94 H new ATOM 0 HH22 ARG B 38 18.611 7.533 5.788 1.00 2.94 H new ATOM 1813 N TRP B 39 15.675 0.453 8.756 1.00 0.54 N ATOM 1814 CA TRP B 39 14.643 -0.163 9.581 1.00 0.64 C ATOM 1815 C TRP B 39 15.034 -0.239 11.051 1.00 0.85 C ATOM 1816 O TRP B 39 14.744 0.734 11.781 1.00 1.41 O ATOM 1817 CB TRP B 39 14.293 -1.537 9.026 1.00 0.60 C ATOM 1818 CG TRP B 39 13.551 -1.436 7.748 1.00 0.43 C ATOM 1819 CD1 TRP B 39 13.751 -0.526 6.768 1.00 0.34 C ATOM 1820 CD2 TRP B 39 12.486 -2.268 7.323 1.00 0.35 C ATOM 1821 NE1 TRP B 39 12.852 -0.723 5.754 1.00 0.23 N ATOM 1822 CE2 TRP B 39 12.065 -1.799 6.070 1.00 0.23 C ATOM 1823 CE3 TRP B 39 11.844 -3.361 7.882 1.00 0.40 C ATOM 1824 CZ2 TRP B 39 11.029 -2.398 5.369 1.00 0.21 C ATOM 1825 CZ3 TRP B 39 10.820 -3.948 7.187 1.00 0.33 C ATOM 1826 CH2 TRP B 39 10.419 -3.467 5.942 1.00 0.25 C ATOM 1827 OXT TRP B 39 15.603 -1.266 11.474 1.00 1.45 O ATOM 0 H TRP B 39 15.350 1.264 8.230 1.00 0.54 H new ATOM 0 HA TRP B 39 13.759 0.474 9.539 1.00 0.64 H new ATOM 0 HB2 TRP B 39 15.206 -2.112 8.873 1.00 0.60 H new ATOM 0 HB3 TRP B 39 13.692 -2.082 9.754 1.00 0.60 H new ATOM 0 HD1 TRP B 39 14.509 0.243 6.783 1.00 0.34 H new ATOM 0 HE1 TRP B 39 12.780 -0.162 4.905 1.00 0.23 H new ATOM 0 HE3 TRP B 39 12.145 -3.743 8.846 1.00 0.40 H new ATOM 0 HZ2 TRP B 39 10.719 -2.028 4.403 1.00 0.21 H new ATOM 0 HZ3 TRP B 39 10.313 -4.801 7.613 1.00 0.33 H new ATOM 0 HH2 TRP B 39 9.607 -3.954 5.423 1.00 0.25 H new TER 1838 TRP B 39