USER MOD reduce.3.24.130724 H: found=0, std=0, add=1171, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 1171 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 107 TYR OH : rot -174:sc= 0.816 USER MOD Set 1.2: A 126 GLN : amide:sc= 0.802 K(o=1.6,f=-0.94) USER MOD Set 2.1: A 100 LYS NZ :NH3+ 153:sc= 1.23 (180deg=0.848) USER MOD Set 2.2: A 103 LYS NZ :NH3+ -151:sc= -1.9! (180deg=-2.02!) USER MOD Set 3.1: A 76 GLN : amide:sc= -0.32 K(o=0.022,f=-2.6!) USER MOD Set 3.2: A 83 SER OG : rot 180:sc= 0.342 USER MOD Set 4.1: A 26 TYR OH : rot -140:sc= 0 USER MOD Set 4.2: A 92 MET CE :methyl -175:sc= -0.207 (180deg=-0.247) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 129:sc= 0.974 (180deg=0.59) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0441 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 96:sc= 1.25 USER MOD Single : A 11 CYS SG : rot 71:sc= 0.322 USER MOD Single : A 12 LYS NZ :NH3+ 170:sc= 1.22 (180deg=0.84) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00188 USER MOD Single : A 14 THR OG1 : rot 86:sc= 0.697 USER MOD Single : A 15 TYR OH : rot 33:sc= 1.22 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -154:sc= 1.19 (180deg=1.13) USER MOD Single : A 23 LYS NZ :NH3+ 170:sc= 0.327 (180deg=0.275) USER MOD Single : A 24 HIS : no HD1:sc= 1.11 K(o=1.1,f=-4.9!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0.51 K(o=0.51,f=-1.5!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.0189 X(o=-0.019,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0.207 USER MOD Single : A 51 GLN : amide:sc= 0.503 K(o=0.5,f=-4.4!) USER MOD Single : A 57 GLN : amide:sc= 0.282 K(o=0.28,f=-2.4!) USER MOD Single : A 58 LYS NZ :NH3+ -171:sc= 1.3 (180deg=1.27) USER MOD Single : A 59 CYS SG : rot 160:sc= -0.114 USER MOD Single : A 64 CYS SG : rot -33:sc= -1.22 USER MOD Single : A 66 TYR OH : rot 30:sc= 0 USER MOD Single : A 73 TYR OH : rot -123:sc= 1.05 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-2.1) USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0.00226 USER MOD Single : A 85 LYS NZ :NH3+ -166:sc= 1.25 (180deg=1.25) USER MOD Single : A 86 LYS NZ :NH3+ 141:sc= 1.24 (180deg=0.929) USER MOD Single : A 87 GLN : amide:sc= 1.02 K(o=1,f=-7.4!) USER MOD Single : A 88 LYS NZ :NH3+ 168:sc= 1.84 (180deg=1.61) USER MOD Single : A 93 SER OG : rot 154:sc= 1.22 USER MOD Single : A 95 CYS SG : rot -39:sc= 0.223 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -163:sc= -0.0544 (180deg=-0.303) USER MOD Single : A 104 LYS NZ :NH3+ -177:sc= 1.2 (180deg=1.15) USER MOD Single : A 105 MET CE :methyl -172:sc= 0 (180deg=-0.0453) USER MOD Single : A 108 SER OG : rot 72:sc= 1.26 USER MOD Single : A 109 SER OG : rot 140:sc= -1.9! USER MOD Single : A 110 SER OG : rot -150:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -140:sc= 0.197 (180deg=-1.62!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot -150:sc= 0 USER MOD Single : A 122 GLN :FLIP amide:sc= -2.03! C(o=-4.1!,f=-2!) USER MOD Single : A 123 LYS NZ :NH3+ -157:sc= 1.23 (180deg=0.872) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 72:sc= 0.705 USER MOD Single : A 131 SER OG : rot 96:sc= 1.24 USER MOD Single : A 134 SER OG : rot 180:sc= 0.229 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 THR OG1 : rot -110:sc= -2.94! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.936 -2.197 0.950 1.00 44.43 N ATOM 2 CA MET A 1 0.945 -1.810 -0.479 1.00 24.21 C ATOM 3 C MET A 1 2.329 -2.040 -1.068 1.00 54.51 C ATOM 4 O MET A 1 2.475 -2.750 -2.064 1.00 73.35 O ATOM 5 CB MET A 1 0.537 -0.338 -0.642 1.00 64.21 C ATOM 6 CG MET A 1 -0.872 -0.028 -0.156 1.00 43.50 C ATOM 7 SD MET A 1 -1.061 -0.187 1.632 1.00 65.32 S ATOM 8 CE MET A 1 -2.802 0.196 1.817 1.00 42.20 C ATOM 0 H1 MET A 1 0.539 -1.421 1.517 1.00 44.43 H new ATOM 0 H2 MET A 1 0.355 -3.050 1.075 1.00 44.43 H new ATOM 0 H3 MET A 1 1.908 -2.392 1.263 1.00 44.43 H new ATOM 0 HA MET A 1 0.223 -2.428 -1.013 1.00 24.21 H new ATOM 0 HB2 MET A 1 1.244 0.287 -0.096 1.00 64.21 H new ATOM 0 HB3 MET A 1 0.616 -0.064 -1.694 1.00 64.21 H new ATOM 0 HG2 MET A 1 -1.137 0.987 -0.454 1.00 43.50 H new ATOM 0 HG3 MET A 1 -1.575 -0.699 -0.650 1.00 43.50 H new ATOM 0 HE1 MET A 1 -3.077 0.140 2.870 1.00 42.20 H new ATOM 0 HE2 MET A 1 -2.995 1.202 1.444 1.00 42.20 H new ATOM 0 HE3 MET A 1 -3.395 -0.521 1.249 1.00 42.20 H new ATOM 20 N ALA A 2 3.339 -1.440 -0.434 1.00 22.31 N ATOM 21 CA ALA A 2 4.738 -1.612 -0.827 1.00 5.15 C ATOM 22 C ALA A 2 5.014 -1.084 -2.234 1.00 30.03 C ATOM 23 O ALA A 2 4.144 -0.500 -2.885 1.00 1.43 O ATOM 24 CB ALA A 2 5.150 -3.075 -0.716 1.00 22.03 C ATOM 0 H ALA A 2 3.209 -0.821 0.366 1.00 22.31 H new ATOM 0 HA ALA A 2 5.339 -1.020 -0.137 1.00 5.15 H new ATOM 0 HB1 ALA A 2 6.193 -3.183 -1.012 1.00 22.03 H new ATOM 0 HB2 ALA A 2 5.029 -3.410 0.314 1.00 22.03 H new ATOM 0 HB3 ALA A 2 4.523 -3.680 -1.370 1.00 22.03 H new ATOM 30 N SER A 3 6.240 -1.278 -2.688 1.00 3.23 N ATOM 31 CA SER A 3 6.647 -0.830 -4.005 1.00 34.53 C ATOM 32 C SER A 3 6.467 -1.938 -5.042 1.00 73.53 C ATOM 33 O SER A 3 7.384 -2.713 -5.318 1.00 70.21 O ATOM 34 CB SER A 3 8.098 -0.352 -3.953 1.00 44.24 C ATOM 35 OG SER A 3 8.886 -1.212 -3.143 1.00 73.40 O ATOM 0 H SER A 3 6.975 -1.747 -2.158 1.00 3.23 H new ATOM 0 HA SER A 3 6.012 0.002 -4.310 1.00 34.53 H new ATOM 0 HB2 SER A 3 8.510 -0.317 -4.962 1.00 44.24 H new ATOM 0 HB3 SER A 3 8.137 0.663 -3.558 1.00 44.24 H new ATOM 0 HG SER A 3 9.811 -0.888 -3.125 1.00 73.40 H new ATOM 41 N GLY A 4 5.263 -2.028 -5.584 1.00 53.32 N ATOM 42 CA GLY A 4 4.971 -3.021 -6.596 1.00 12.43 C ATOM 43 C GLY A 4 3.494 -3.074 -6.911 1.00 71.01 C ATOM 44 O GLY A 4 2.673 -3.288 -6.019 1.00 73.53 O ATOM 0 H GLY A 4 4.477 -1.426 -5.339 1.00 53.32 H new ATOM 0 HA2 GLY A 4 5.530 -2.792 -7.504 1.00 12.43 H new ATOM 0 HA3 GLY A 4 5.306 -4.000 -6.254 1.00 12.43 H new ATOM 48 N VAL A 5 3.152 -2.872 -8.174 1.00 43.03 N ATOM 49 CA VAL A 5 1.759 -2.795 -8.588 1.00 54.01 C ATOM 50 C VAL A 5 1.488 -3.723 -9.772 1.00 61.55 C ATOM 51 O VAL A 5 2.332 -3.886 -10.655 1.00 4.21 O ATOM 52 CB VAL A 5 1.375 -1.339 -8.951 1.00 0.40 C ATOM 53 CG1 VAL A 5 -0.023 -1.258 -9.541 1.00 52.44 C ATOM 54 CG2 VAL A 5 1.471 -0.447 -7.724 1.00 35.21 C ATOM 0 H VAL A 5 3.823 -2.758 -8.933 1.00 43.03 H new ATOM 0 HA VAL A 5 1.143 -3.119 -7.749 1.00 54.01 H new ATOM 0 HB VAL A 5 2.080 -0.992 -9.707 1.00 0.40 H new ATOM 0 HG11 VAL A 5 -0.256 -0.221 -9.783 1.00 52.44 H new ATOM 0 HG12 VAL A 5 -0.071 -1.862 -10.447 1.00 52.44 H new ATOM 0 HG13 VAL A 5 -0.746 -1.633 -8.817 1.00 52.44 H new ATOM 0 HG21 VAL A 5 1.198 0.573 -7.994 1.00 35.21 H new ATOM 0 HG22 VAL A 5 0.791 -0.813 -6.954 1.00 35.21 H new ATOM 0 HG23 VAL A 5 2.492 -0.461 -7.343 1.00 35.21 H new ATOM 64 N THR A 6 0.311 -4.332 -9.773 1.00 64.53 N ATOM 65 CA THR A 6 -0.091 -5.239 -10.834 1.00 15.33 C ATOM 66 C THR A 6 -1.000 -4.523 -11.834 1.00 74.24 C ATOM 67 O THR A 6 -1.845 -3.718 -11.446 1.00 64.45 O ATOM 68 CB THR A 6 -0.826 -6.460 -10.244 1.00 63.25 C ATOM 69 OG1 THR A 6 0.031 -7.131 -9.308 1.00 74.23 O ATOM 70 CG2 THR A 6 -1.254 -7.427 -11.339 1.00 2.31 C ATOM 0 H THR A 6 -0.389 -4.211 -9.041 1.00 64.53 H new ATOM 0 HA THR A 6 0.806 -5.579 -11.352 1.00 15.33 H new ATOM 0 HB THR A 6 -1.723 -6.108 -9.735 1.00 63.25 H new ATOM 0 HG1 THR A 6 -0.438 -7.906 -8.933 1.00 74.23 H new ATOM 0 HG21 THR A 6 -1.769 -8.277 -10.892 1.00 2.31 H new ATOM 0 HG22 THR A 6 -1.925 -6.919 -12.031 1.00 2.31 H new ATOM 0 HG23 THR A 6 -0.374 -7.778 -11.878 1.00 2.31 H new ATOM 78 N VAL A 7 -0.820 -4.805 -13.116 1.00 64.35 N ATOM 79 CA VAL A 7 -1.593 -4.143 -14.156 1.00 65.21 C ATOM 80 C VAL A 7 -2.755 -5.023 -14.614 1.00 42.22 C ATOM 81 O VAL A 7 -2.544 -6.152 -15.065 1.00 3.24 O ATOM 82 CB VAL A 7 -0.712 -3.807 -15.378 1.00 13.35 C ATOM 83 CG1 VAL A 7 -1.488 -2.981 -16.395 1.00 4.35 C ATOM 84 CG2 VAL A 7 0.557 -3.084 -14.951 1.00 3.22 C ATOM 0 H VAL A 7 -0.145 -5.488 -13.461 1.00 64.35 H new ATOM 0 HA VAL A 7 -1.981 -3.219 -13.728 1.00 65.21 H new ATOM 0 HB VAL A 7 -0.423 -4.745 -15.852 1.00 13.35 H new ATOM 0 HG11 VAL A 7 -0.846 -2.757 -17.247 1.00 4.35 H new ATOM 0 HG12 VAL A 7 -2.357 -3.544 -16.734 1.00 4.35 H new ATOM 0 HG13 VAL A 7 -1.816 -2.050 -15.933 1.00 4.35 H new ATOM 0 HG21 VAL A 7 1.161 -2.858 -15.830 1.00 3.22 H new ATOM 0 HG22 VAL A 7 0.294 -2.156 -14.444 1.00 3.22 H new ATOM 0 HG23 VAL A 7 1.127 -3.719 -14.273 1.00 3.22 H new ATOM 94 N SER A 8 -3.977 -4.517 -14.482 1.00 31.13 N ATOM 95 CA SER A 8 -5.148 -5.218 -14.994 1.00 42.52 C ATOM 96 C SER A 8 -5.188 -5.138 -16.519 1.00 71.34 C ATOM 97 O SER A 8 -4.745 -4.150 -17.112 1.00 62.21 O ATOM 98 CB SER A 8 -6.430 -4.633 -14.398 1.00 62.33 C ATOM 99 OG SER A 8 -6.462 -4.808 -12.993 1.00 5.13 O ATOM 0 H SER A 8 -4.181 -3.627 -14.027 1.00 31.13 H new ATOM 0 HA SER A 8 -5.079 -6.265 -14.700 1.00 42.52 H new ATOM 0 HB2 SER A 8 -6.495 -3.572 -14.637 1.00 62.33 H new ATOM 0 HB3 SER A 8 -7.298 -5.115 -14.848 1.00 62.33 H new ATOM 0 HG SER A 8 -6.130 -3.997 -12.555 1.00 5.13 H new ATOM 105 N ASP A 9 -5.739 -6.172 -17.144 1.00 65.03 N ATOM 106 CA ASP A 9 -5.743 -6.294 -18.601 1.00 41.22 C ATOM 107 C ASP A 9 -6.548 -5.173 -19.251 1.00 0.31 C ATOM 108 O ASP A 9 -6.344 -4.851 -20.421 1.00 24.34 O ATOM 109 CB ASP A 9 -6.323 -7.650 -18.998 1.00 22.43 C ATOM 110 CG ASP A 9 -5.931 -8.085 -20.396 1.00 53.41 C ATOM 111 OD1 ASP A 9 -4.771 -8.510 -20.582 1.00 64.40 O ATOM 112 OD2 ASP A 9 -6.788 -8.038 -21.304 1.00 31.54 O ATOM 0 H ASP A 9 -6.194 -6.946 -16.660 1.00 65.03 H new ATOM 0 HA ASP A 9 -4.715 -6.215 -18.954 1.00 41.22 H new ATOM 0 HB2 ASP A 9 -5.989 -8.403 -18.284 1.00 22.43 H new ATOM 0 HB3 ASP A 9 -7.410 -7.606 -18.930 1.00 22.43 H new ATOM 117 N VAL A 10 -7.441 -4.559 -18.475 1.00 51.34 N ATOM 118 CA VAL A 10 -8.279 -3.470 -18.974 1.00 12.20 C ATOM 119 C VAL A 10 -7.417 -2.265 -19.370 1.00 44.42 C ATOM 120 O VAL A 10 -7.801 -1.460 -20.224 1.00 52.45 O ATOM 121 CB VAL A 10 -9.345 -3.044 -17.930 1.00 14.34 C ATOM 122 CG1 VAL A 10 -10.431 -2.200 -18.582 1.00 23.31 C ATOM 123 CG2 VAL A 10 -9.949 -4.268 -17.263 1.00 71.51 C ATOM 0 H VAL A 10 -7.602 -4.798 -17.497 1.00 51.34 H new ATOM 0 HA VAL A 10 -8.802 -3.838 -19.856 1.00 12.20 H new ATOM 0 HB VAL A 10 -8.856 -2.438 -17.167 1.00 14.34 H new ATOM 0 HG11 VAL A 10 -11.168 -1.912 -17.832 1.00 23.31 H new ATOM 0 HG12 VAL A 10 -9.985 -1.304 -19.015 1.00 23.31 H new ATOM 0 HG13 VAL A 10 -10.919 -2.778 -19.367 1.00 23.31 H new ATOM 0 HG21 VAL A 10 -10.695 -3.954 -16.533 1.00 71.51 H new ATOM 0 HG22 VAL A 10 -10.422 -4.897 -18.017 1.00 71.51 H new ATOM 0 HG23 VAL A 10 -9.164 -4.832 -16.759 1.00 71.51 H new ATOM 133 N CYS A 11 -6.237 -2.161 -18.763 1.00 35.24 N ATOM 134 CA CYS A 11 -5.295 -1.102 -19.103 1.00 64.21 C ATOM 135 C CYS A 11 -4.598 -1.431 -20.420 1.00 1.32 C ATOM 136 O CYS A 11 -4.300 -0.541 -21.218 1.00 1.02 O ATOM 137 CB CYS A 11 -4.261 -0.918 -17.985 1.00 34.53 C ATOM 138 SG CYS A 11 -3.080 0.424 -18.269 1.00 43.00 S ATOM 0 H CYS A 11 -5.912 -2.797 -18.035 1.00 35.24 H new ATOM 0 HA CYS A 11 -5.845 -0.168 -19.216 1.00 64.21 H new ATOM 0 HB2 CYS A 11 -4.786 -0.731 -17.049 1.00 34.53 H new ATOM 0 HB3 CYS A 11 -3.710 -1.850 -17.860 1.00 34.53 H new ATOM 0 HG CYS A 11 -3.688 1.568 -18.160 1.00 43.00 H new ATOM 144 N LYS A 12 -4.368 -2.723 -20.649 1.00 50.24 N ATOM 145 CA LYS A 12 -3.728 -3.185 -21.873 1.00 11.44 C ATOM 146 C LYS A 12 -4.659 -2.968 -23.057 1.00 3.12 C ATOM 147 O LYS A 12 -4.251 -2.426 -24.084 1.00 74.42 O ATOM 148 CB LYS A 12 -3.364 -4.668 -21.765 1.00 24.11 C ATOM 149 CG LYS A 12 -2.495 -5.169 -22.910 1.00 14.45 C ATOM 150 CD LYS A 12 -2.302 -6.675 -22.847 1.00 43.42 C ATOM 151 CE LYS A 12 -3.533 -7.425 -23.336 1.00 61.31 C ATOM 152 NZ LYS A 12 -3.731 -7.265 -24.802 1.00 40.23 N ATOM 0 H LYS A 12 -4.617 -3.468 -19.999 1.00 50.24 H new ATOM 0 HA LYS A 12 -2.813 -2.612 -22.023 1.00 11.44 H new ATOM 0 HB2 LYS A 12 -2.842 -4.837 -20.823 1.00 24.11 H new ATOM 0 HB3 LYS A 12 -4.281 -5.257 -21.732 1.00 24.11 H new ATOM 0 HG2 LYS A 12 -2.954 -4.900 -23.861 1.00 14.45 H new ATOM 0 HG3 LYS A 12 -1.524 -4.675 -22.874 1.00 14.45 H new ATOM 0 HD2 LYS A 12 -1.441 -6.956 -23.453 1.00 43.42 H new ATOM 0 HD3 LYS A 12 -2.080 -6.970 -21.821 1.00 43.42 H new ATOM 0 HE2 LYS A 12 -3.433 -8.484 -23.096 1.00 61.31 H new ATOM 0 HE3 LYS A 12 -4.414 -7.060 -22.808 1.00 61.31 H new ATOM 0 HZ1 LYS A 12 -4.471 -7.920 -25.126 1.00 40.23 H new ATOM 0 HZ2 LYS A 12 -4.019 -6.287 -25.009 1.00 40.23 H new ATOM 0 HZ3 LYS A 12 -2.841 -7.476 -25.298 1.00 40.23 H new ATOM 166 N THR A 13 -5.915 -3.384 -22.889 1.00 53.25 N ATOM 167 CA THR A 13 -6.937 -3.200 -23.913 1.00 64.43 C ATOM 168 C THR A 13 -7.030 -1.725 -24.306 1.00 52.45 C ATOM 169 O THR A 13 -7.132 -1.377 -25.481 1.00 50.22 O ATOM 170 CB THR A 13 -8.317 -3.677 -23.410 1.00 12.50 C ATOM 171 OG1 THR A 13 -8.194 -4.955 -22.772 1.00 32.22 O ATOM 172 CG2 THR A 13 -9.311 -3.781 -24.557 1.00 71.32 C ATOM 0 H THR A 13 -6.248 -3.853 -22.047 1.00 53.25 H new ATOM 0 HA THR A 13 -6.652 -3.796 -24.780 1.00 64.43 H new ATOM 0 HB THR A 13 -8.685 -2.942 -22.694 1.00 12.50 H new ATOM 0 HG1 THR A 13 -9.074 -5.248 -22.455 1.00 32.22 H new ATOM 0 HG21 THR A 13 -10.274 -4.119 -24.174 1.00 71.32 H new ATOM 0 HG22 THR A 13 -9.429 -2.804 -25.026 1.00 71.32 H new ATOM 0 HG23 THR A 13 -8.943 -4.495 -25.294 1.00 71.32 H new ATOM 180 N THR A 14 -6.975 -0.865 -23.299 1.00 1.11 N ATOM 181 CA THR A 14 -6.995 0.571 -23.505 1.00 1.45 C ATOM 182 C THR A 14 -5.795 1.035 -24.332 1.00 55.01 C ATOM 183 O THR A 14 -5.958 1.655 -25.386 1.00 10.31 O ATOM 184 CB THR A 14 -7.002 1.302 -22.151 1.00 3.03 C ATOM 185 OG1 THR A 14 -8.263 1.103 -21.499 1.00 74.25 O ATOM 186 CG2 THR A 14 -6.732 2.786 -22.325 1.00 2.45 C ATOM 0 H THR A 14 -6.915 -1.145 -22.320 1.00 1.11 H new ATOM 0 HA THR A 14 -7.904 0.813 -24.056 1.00 1.45 H new ATOM 0 HB THR A 14 -6.205 0.887 -21.534 1.00 3.03 H new ATOM 0 HG1 THR A 14 -8.240 0.266 -20.990 1.00 74.25 H new ATOM 0 HG21 THR A 14 -6.743 3.275 -21.351 1.00 2.45 H new ATOM 0 HG22 THR A 14 -5.756 2.926 -22.790 1.00 2.45 H new ATOM 0 HG23 THR A 14 -7.502 3.224 -22.960 1.00 2.45 H new ATOM 194 N TYR A 15 -4.601 0.729 -23.838 1.00 75.14 N ATOM 195 CA TYR A 15 -3.352 1.127 -24.485 1.00 62.32 C ATOM 196 C TYR A 15 -3.296 0.727 -25.965 1.00 72.44 C ATOM 197 O TYR A 15 -2.908 1.531 -26.814 1.00 53.13 O ATOM 198 CB TYR A 15 -2.160 0.528 -23.733 1.00 24.43 C ATOM 199 CG TYR A 15 -0.830 0.777 -24.408 1.00 65.21 C ATOM 200 CD1 TYR A 15 -0.303 2.061 -24.506 1.00 40.24 C ATOM 201 CD2 TYR A 15 -0.106 -0.273 -24.955 1.00 23.42 C ATOM 202 CE1 TYR A 15 0.907 2.287 -25.132 1.00 41.50 C ATOM 203 CE2 TYR A 15 1.103 -0.055 -25.582 1.00 51.41 C ATOM 204 CZ TYR A 15 1.606 1.225 -25.667 1.00 24.35 C ATOM 205 OH TYR A 15 2.811 1.446 -26.298 1.00 20.11 O ATOM 0 H TYR A 15 -4.469 0.198 -22.977 1.00 75.14 H new ATOM 0 HA TYR A 15 -3.305 2.215 -24.448 1.00 62.32 H new ATOM 0 HB2 TYR A 15 -2.130 0.944 -22.726 1.00 24.43 H new ATOM 0 HB3 TYR A 15 -2.310 -0.547 -23.629 1.00 24.43 H new ATOM 0 HD1 TYR A 15 -0.848 2.893 -24.086 1.00 40.24 H new ATOM 0 HD2 TYR A 15 -0.496 -1.278 -24.889 1.00 23.42 H new ATOM 0 HE1 TYR A 15 1.304 3.289 -25.202 1.00 41.50 H new ATOM 0 HE2 TYR A 15 1.653 -0.883 -26.004 1.00 51.41 H new ATOM 0 HH TYR A 15 3.271 2.199 -25.871 1.00 20.11 H new ATOM 215 N GLU A 16 -3.682 -0.499 -26.285 1.00 74.12 N ATOM 216 CA GLU A 16 -3.578 -0.964 -27.662 1.00 63.02 C ATOM 217 C GLU A 16 -4.607 -0.284 -28.561 1.00 40.34 C ATOM 218 O GLU A 16 -4.331 -0.017 -29.730 1.00 0.14 O ATOM 219 CB GLU A 16 -3.684 -2.490 -27.748 1.00 32.02 C ATOM 220 CG GLU A 16 -4.940 -3.073 -27.131 1.00 43.45 C ATOM 221 CD GLU A 16 -4.837 -4.571 -26.947 1.00 60.25 C ATOM 222 OE1 GLU A 16 -4.132 -5.004 -26.010 1.00 2.02 O ATOM 223 OE2 GLU A 16 -5.433 -5.322 -27.749 1.00 60.33 O ATOM 0 H GLU A 16 -4.063 -1.178 -25.626 1.00 74.12 H new ATOM 0 HA GLU A 16 -2.590 -0.683 -28.026 1.00 63.02 H new ATOM 0 HB2 GLU A 16 -3.640 -2.785 -28.796 1.00 32.02 H new ATOM 0 HB3 GLU A 16 -2.816 -2.929 -27.256 1.00 32.02 H new ATOM 0 HG2 GLU A 16 -5.123 -2.601 -26.166 1.00 43.45 H new ATOM 0 HG3 GLU A 16 -5.796 -2.843 -27.765 1.00 43.45 H new ATOM 230 N GLU A 17 -5.777 0.029 -28.021 1.00 54.40 N ATOM 231 CA GLU A 17 -6.796 0.712 -28.806 1.00 43.32 C ATOM 232 C GLU A 17 -6.487 2.200 -28.956 1.00 73.01 C ATOM 233 O GLU A 17 -6.732 2.782 -30.010 1.00 4.42 O ATOM 234 CB GLU A 17 -8.186 0.537 -28.198 1.00 72.32 C ATOM 235 CG GLU A 17 -8.706 -0.888 -28.244 1.00 32.40 C ATOM 236 CD GLU A 17 -10.214 -0.941 -28.146 1.00 2.30 C ATOM 237 OE1 GLU A 17 -10.763 -0.587 -27.080 1.00 71.02 O ATOM 238 OE2 GLU A 17 -10.863 -1.296 -29.152 1.00 54.15 O ATOM 0 H GLU A 17 -6.042 -0.175 -27.057 1.00 54.40 H new ATOM 0 HA GLU A 17 -6.786 0.252 -29.794 1.00 43.32 H new ATOM 0 HB2 GLU A 17 -8.162 0.871 -27.161 1.00 72.32 H new ATOM 0 HB3 GLU A 17 -8.886 1.185 -28.725 1.00 72.32 H new ATOM 0 HG2 GLU A 17 -8.386 -1.362 -29.172 1.00 32.40 H new ATOM 0 HG3 GLU A 17 -8.269 -1.461 -27.426 1.00 32.40 H new ATOM 245 N ILE A 18 -5.936 2.815 -27.913 1.00 31.24 N ATOM 246 CA ILE A 18 -5.707 4.259 -27.923 1.00 75.01 C ATOM 247 C ILE A 18 -4.647 4.654 -28.957 1.00 1.11 C ATOM 248 O ILE A 18 -4.709 5.730 -29.534 1.00 71.45 O ATOM 249 CB ILE A 18 -5.317 4.805 -26.521 1.00 21.10 C ATOM 250 CG1 ILE A 18 -5.324 6.338 -26.522 1.00 11.55 C ATOM 251 CG2 ILE A 18 -3.955 4.285 -26.085 1.00 63.14 C ATOM 252 CD1 ILE A 18 -4.987 6.952 -25.177 1.00 63.01 C ATOM 0 H ILE A 18 -5.642 2.343 -27.058 1.00 31.24 H new ATOM 0 HA ILE A 18 -6.655 4.716 -28.206 1.00 75.01 H new ATOM 0 HB ILE A 18 -6.059 4.449 -25.806 1.00 21.10 H new ATOM 0 HG12 ILE A 18 -4.609 6.695 -27.263 1.00 11.55 H new ATOM 0 HG13 ILE A 18 -6.308 6.687 -26.834 1.00 11.55 H new ATOM 0 HG21 ILE A 18 -3.711 4.685 -25.101 1.00 63.14 H new ATOM 0 HG22 ILE A 18 -3.979 3.196 -26.039 1.00 63.14 H new ATOM 0 HG23 ILE A 18 -3.198 4.601 -26.803 1.00 63.14 H new ATOM 0 HD11 ILE A 18 -5.012 8.039 -25.257 1.00 63.01 H new ATOM 0 HD12 ILE A 18 -5.716 6.626 -24.435 1.00 63.01 H new ATOM 0 HD13 ILE A 18 -3.991 6.633 -24.871 1.00 63.01 H new ATOM 264 N LYS A 19 -3.685 3.778 -29.206 1.00 64.11 N ATOM 265 CA LYS A 19 -2.648 4.068 -30.191 1.00 72.03 C ATOM 266 C LYS A 19 -3.141 3.814 -31.619 1.00 64.02 C ATOM 267 O LYS A 19 -2.675 4.446 -32.567 1.00 21.25 O ATOM 268 CB LYS A 19 -1.389 3.239 -29.914 1.00 63.13 C ATOM 269 CG LYS A 19 -1.627 1.740 -29.930 1.00 12.04 C ATOM 270 CD LYS A 19 -0.325 0.963 -29.842 1.00 43.10 C ATOM 271 CE LYS A 19 -0.575 -0.536 -29.856 1.00 33.12 C ATOM 272 NZ LYS A 19 0.690 -1.310 -29.924 1.00 24.32 N ATOM 0 H LYS A 19 -3.599 2.871 -28.747 1.00 64.11 H new ATOM 0 HA LYS A 19 -2.401 5.126 -30.102 1.00 72.03 H new ATOM 0 HB2 LYS A 19 -0.632 3.485 -30.659 1.00 63.13 H new ATOM 0 HB3 LYS A 19 -0.985 3.523 -28.942 1.00 63.13 H new ATOM 0 HG2 LYS A 19 -2.272 1.465 -29.095 1.00 12.04 H new ATOM 0 HG3 LYS A 19 -2.154 1.465 -30.844 1.00 12.04 H new ATOM 0 HD2 LYS A 19 0.320 1.234 -30.678 1.00 43.10 H new ATOM 0 HD3 LYS A 19 0.204 1.237 -28.929 1.00 43.10 H new ATOM 0 HE2 LYS A 19 -1.126 -0.820 -28.959 1.00 33.12 H new ATOM 0 HE3 LYS A 19 -1.202 -0.791 -30.710 1.00 33.12 H new ATOM 0 HZ1 LYS A 19 0.475 -2.327 -29.932 1.00 24.32 H new ATOM 0 HZ2 LYS A 19 1.205 -1.059 -30.792 1.00 24.32 H new ATOM 0 HZ3 LYS A 19 1.278 -1.087 -29.096 1.00 24.32 H new ATOM 286 N LYS A 20 -4.084 2.890 -31.768 1.00 64.35 N ATOM 287 CA LYS A 20 -4.523 2.451 -33.092 1.00 1.31 C ATOM 288 C LYS A 20 -5.795 3.167 -33.546 1.00 2.45 C ATOM 289 O LYS A 20 -5.909 3.584 -34.700 1.00 41.41 O ATOM 290 CB LYS A 20 -4.739 0.934 -33.092 1.00 60.04 C ATOM 291 CG LYS A 20 -3.471 0.148 -32.793 1.00 50.02 C ATOM 292 CD LYS A 20 -3.740 -1.344 -32.649 1.00 70.50 C ATOM 293 CE LYS A 20 -4.234 -1.962 -33.947 1.00 1.24 C ATOM 294 NZ LYS A 20 -4.399 -3.436 -33.829 1.00 2.53 N ATOM 0 H LYS A 20 -4.559 2.430 -30.992 1.00 64.35 H new ATOM 0 HA LYS A 20 -3.738 2.709 -33.802 1.00 1.31 H new ATOM 0 HB2 LYS A 20 -5.498 0.682 -32.352 1.00 60.04 H new ATOM 0 HB3 LYS A 20 -5.127 0.629 -34.064 1.00 60.04 H new ATOM 0 HG2 LYS A 20 -2.748 0.310 -33.593 1.00 50.02 H new ATOM 0 HG3 LYS A 20 -3.020 0.525 -31.875 1.00 50.02 H new ATOM 0 HD2 LYS A 20 -2.827 -1.848 -32.332 1.00 70.50 H new ATOM 0 HD3 LYS A 20 -4.481 -1.505 -31.866 1.00 70.50 H new ATOM 0 HE2 LYS A 20 -5.186 -1.511 -34.225 1.00 1.24 H new ATOM 0 HE3 LYS A 20 -3.529 -1.738 -34.748 1.00 1.24 H new ATOM 0 HZ1 LYS A 20 -4.737 -3.821 -34.734 1.00 2.53 H new ATOM 0 HZ2 LYS A 20 -3.485 -3.869 -33.588 1.00 2.53 H new ATOM 0 HZ3 LYS A 20 -5.091 -3.649 -33.082 1.00 2.53 H new ATOM 308 N ASP A 21 -6.752 3.298 -32.643 1.00 14.53 N ATOM 309 CA ASP A 21 -8.050 3.875 -32.980 1.00 12.20 C ATOM 310 C ASP A 21 -8.285 5.179 -32.221 1.00 34.55 C ATOM 311 O ASP A 21 -9.013 6.053 -32.687 1.00 62.31 O ATOM 312 CB ASP A 21 -9.155 2.862 -32.674 1.00 31.11 C ATOM 313 CG ASP A 21 -10.541 3.387 -32.979 1.00 1.02 C ATOM 314 OD1 ASP A 21 -10.840 3.653 -34.168 1.00 71.31 O ATOM 315 OD2 ASP A 21 -11.342 3.529 -32.036 1.00 35.43 O ATOM 0 H ASP A 21 -6.658 3.013 -31.668 1.00 14.53 H new ATOM 0 HA ASP A 21 -8.065 4.108 -34.045 1.00 12.20 H new ATOM 0 HB2 ASP A 21 -8.980 1.956 -33.254 1.00 31.11 H new ATOM 0 HB3 ASP A 21 -9.102 2.582 -31.622 1.00 31.11 H new ATOM 320 N LYS A 22 -7.655 5.278 -31.051 1.00 63.43 N ATOM 321 CA LYS A 22 -7.657 6.481 -30.200 1.00 62.42 C ATOM 322 C LYS A 22 -9.056 7.045 -29.928 1.00 53.15 C ATOM 323 O LYS A 22 -9.242 8.258 -29.825 1.00 14.34 O ATOM 324 CB LYS A 22 -6.728 7.579 -30.751 1.00 73.33 C ATOM 325 CG LYS A 22 -7.179 8.251 -32.041 1.00 33.02 C ATOM 326 CD LYS A 22 -6.337 9.482 -32.323 1.00 30.43 C ATOM 327 CE LYS A 22 -6.452 10.489 -31.189 1.00 74.44 C ATOM 328 NZ LYS A 22 -5.385 11.517 -31.252 1.00 61.14 N ATOM 0 H LYS A 22 -7.115 4.509 -30.654 1.00 63.43 H new ATOM 0 HA LYS A 22 -7.266 6.146 -29.239 1.00 62.42 H new ATOM 0 HB2 LYS A 22 -6.613 8.347 -29.986 1.00 73.33 H new ATOM 0 HB3 LYS A 22 -5.743 7.144 -30.917 1.00 73.33 H new ATOM 0 HG2 LYS A 22 -7.097 7.549 -32.871 1.00 33.02 H new ATOM 0 HG3 LYS A 22 -8.229 8.532 -31.964 1.00 33.02 H new ATOM 0 HD2 LYS A 22 -5.294 9.192 -32.453 1.00 30.43 H new ATOM 0 HD3 LYS A 22 -6.659 9.942 -33.257 1.00 30.43 H new ATOM 0 HE2 LYS A 22 -7.427 10.975 -31.232 1.00 74.44 H new ATOM 0 HE3 LYS A 22 -6.398 9.967 -30.233 1.00 74.44 H new ATOM 0 HZ1 LYS A 22 -5.209 11.894 -30.299 1.00 61.14 H new ATOM 0 HZ2 LYS A 22 -4.512 11.089 -31.621 1.00 61.14 H new ATOM 0 HZ3 LYS A 22 -5.684 12.290 -31.880 1.00 61.14 H new ATOM 342 N LYS A 23 -10.034 6.165 -29.766 1.00 4.31 N ATOM 343 CA LYS A 23 -11.349 6.579 -29.291 1.00 31.03 C ATOM 344 C LYS A 23 -11.342 6.601 -27.775 1.00 13.15 C ATOM 345 O LYS A 23 -12.243 7.139 -27.136 1.00 15.54 O ATOM 346 CB LYS A 23 -12.449 5.653 -29.815 1.00 54.24 C ATOM 347 CG LYS A 23 -13.085 6.125 -31.115 1.00 64.14 C ATOM 348 CD LYS A 23 -12.050 6.654 -32.093 1.00 54.24 C ATOM 349 CE LYS A 23 -12.610 6.746 -33.498 1.00 21.43 C ATOM 350 NZ LYS A 23 -12.956 5.406 -34.037 1.00 10.21 N ATOM 0 H LYS A 23 -9.944 5.167 -29.955 1.00 4.31 H new ATOM 0 HA LYS A 23 -11.563 7.578 -29.670 1.00 31.03 H new ATOM 0 HB2 LYS A 23 -12.031 4.658 -29.967 1.00 54.24 H new ATOM 0 HB3 LYS A 23 -13.225 5.560 -29.055 1.00 54.24 H new ATOM 0 HG2 LYS A 23 -13.629 5.299 -31.574 1.00 64.14 H new ATOM 0 HG3 LYS A 23 -13.814 6.906 -30.900 1.00 64.14 H new ATOM 0 HD2 LYS A 23 -11.712 7.639 -31.770 1.00 54.24 H new ATOM 0 HD3 LYS A 23 -11.178 6.001 -32.090 1.00 54.24 H new ATOM 0 HE2 LYS A 23 -13.498 7.378 -33.496 1.00 21.43 H new ATOM 0 HE3 LYS A 23 -11.880 7.224 -34.151 1.00 21.43 H new ATOM 0 HZ1 LYS A 23 -13.489 5.515 -34.923 1.00 10.21 H new ATOM 0 HZ2 LYS A 23 -12.084 4.870 -34.221 1.00 10.21 H new ATOM 0 HZ3 LYS A 23 -13.538 4.893 -33.344 1.00 10.21 H new ATOM 364 N HIS A 24 -10.297 6.012 -27.209 1.00 72.25 N ATOM 365 CA HIS A 24 -10.043 6.102 -25.782 1.00 55.05 C ATOM 366 C HIS A 24 -9.360 7.433 -25.487 1.00 12.22 C ATOM 367 O HIS A 24 -8.240 7.465 -24.987 1.00 22.03 O ATOM 368 CB HIS A 24 -9.161 4.940 -25.306 1.00 75.12 C ATOM 369 CG HIS A 24 -9.842 3.603 -25.303 1.00 13.55 C ATOM 370 ND1 HIS A 24 -10.189 2.935 -24.145 1.00 32.00 N ATOM 371 CD2 HIS A 24 -10.210 2.793 -26.322 1.00 45.04 C ATOM 372 CE1 HIS A 24 -10.737 1.775 -24.457 1.00 43.15 C ATOM 373 NE2 HIS A 24 -10.762 1.663 -25.771 1.00 23.14 N ATOM 0 H HIS A 24 -9.608 5.463 -27.723 1.00 72.25 H new ATOM 0 HA HIS A 24 -10.991 6.042 -25.247 1.00 55.05 H new ATOM 0 HB2 HIS A 24 -8.280 4.884 -25.945 1.00 75.12 H new ATOM 0 HB3 HIS A 24 -8.809 5.157 -24.297 1.00 75.12 H new ATOM 0 HD2 HIS A 24 -10.091 2.998 -27.376 1.00 45.04 H new ATOM 0 HE1 HIS A 24 -11.103 1.041 -23.754 1.00 43.15 H new ATOM 0 HE2 HIS A 24 -11.131 0.868 -26.292 1.00 23.14 H new ATOM 382 N ARG A 25 -10.061 8.513 -25.827 1.00 50.04 N ATOM 383 CA ARG A 25 -9.544 9.881 -25.740 1.00 63.45 C ATOM 384 C ARG A 25 -8.875 10.146 -24.396 1.00 74.23 C ATOM 385 O ARG A 25 -7.706 10.529 -24.335 1.00 21.52 O ATOM 386 CB ARG A 25 -10.703 10.856 -25.952 1.00 62.44 C ATOM 387 CG ARG A 25 -10.299 12.316 -26.039 1.00 11.14 C ATOM 388 CD ARG A 25 -11.532 13.198 -26.119 1.00 32.13 C ATOM 389 NE ARG A 25 -11.218 14.601 -26.384 1.00 73.42 N ATOM 390 CZ ARG A 25 -12.151 15.543 -26.523 1.00 24.40 C ATOM 391 NH1 ARG A 25 -13.430 15.230 -26.351 1.00 43.22 N ATOM 392 NH2 ARG A 25 -11.809 16.795 -26.811 1.00 44.30 N ATOM 0 H ARG A 25 -11.018 8.464 -26.176 1.00 50.04 H new ATOM 0 HA ARG A 25 -8.786 10.019 -26.511 1.00 63.45 H new ATOM 0 HB2 ARG A 25 -11.226 10.583 -26.869 1.00 62.44 H new ATOM 0 HB3 ARG A 25 -11.413 10.738 -25.133 1.00 62.44 H new ATOM 0 HG2 ARG A 25 -9.704 12.589 -25.167 1.00 11.14 H new ATOM 0 HG3 ARG A 25 -9.671 12.475 -26.916 1.00 11.14 H new ATOM 0 HD2 ARG A 25 -12.188 12.824 -26.905 1.00 32.13 H new ATOM 0 HD3 ARG A 25 -12.084 13.126 -25.182 1.00 32.13 H new ATOM 0 HE ARG A 25 -10.238 14.872 -26.466 1.00 73.42 H new ATOM 0 HH11 ARG A 25 -13.694 14.274 -26.114 1.00 43.22 H new ATOM 0 HH12 ARG A 25 -14.149 15.946 -26.456 1.00 43.22 H new ATOM 0 HH21 ARG A 25 -10.826 17.041 -26.927 1.00 44.30 H new ATOM 0 HH22 ARG A 25 -12.530 17.509 -26.916 1.00 44.30 H new ATOM 406 N TYR A 26 -9.627 9.948 -23.327 1.00 45.44 N ATOM 407 CA TYR A 26 -9.093 10.078 -21.986 1.00 50.44 C ATOM 408 C TYR A 26 -9.569 8.905 -21.145 1.00 65.01 C ATOM 409 O TYR A 26 -10.766 8.745 -20.906 1.00 13.53 O ATOM 410 CB TYR A 26 -9.534 11.407 -21.360 1.00 54.32 C ATOM 411 CG TYR A 26 -8.941 11.666 -19.993 1.00 13.14 C ATOM 412 CD1 TYR A 26 -7.567 11.742 -19.818 1.00 62.31 C ATOM 413 CD2 TYR A 26 -9.754 11.844 -18.882 1.00 34.15 C ATOM 414 CE1 TYR A 26 -7.018 11.988 -18.576 1.00 44.01 C ATOM 415 CE2 TYR A 26 -9.213 12.089 -17.634 1.00 10.22 C ATOM 416 CZ TYR A 26 -7.844 12.160 -17.487 1.00 21.23 C ATOM 417 OH TYR A 26 -7.297 12.405 -16.248 1.00 42.45 O ATOM 0 H TYR A 26 -10.614 9.695 -23.364 1.00 45.44 H new ATOM 0 HA TYR A 26 -8.004 10.072 -22.027 1.00 50.44 H new ATOM 0 HB2 TYR A 26 -9.254 12.222 -22.027 1.00 54.32 H new ATOM 0 HB3 TYR A 26 -10.621 11.418 -21.282 1.00 54.32 H new ATOM 0 HD1 TYR A 26 -6.916 11.606 -20.669 1.00 62.31 H new ATOM 0 HD2 TYR A 26 -10.827 11.790 -18.995 1.00 34.15 H new ATOM 0 HE1 TYR A 26 -5.946 12.045 -18.458 1.00 44.01 H new ATOM 0 HE2 TYR A 26 -9.859 12.224 -16.779 1.00 10.22 H new ATOM 0 HH TYR A 26 -7.797 11.910 -15.566 1.00 42.45 H new ATOM 427 N VAL A 27 -8.639 8.074 -20.711 1.00 25.24 N ATOM 428 CA VAL A 27 -8.991 6.881 -19.959 1.00 61.12 C ATOM 429 C VAL A 27 -8.651 7.052 -18.490 1.00 40.50 C ATOM 430 O VAL A 27 -7.517 7.373 -18.139 1.00 13.11 O ATOM 431 CB VAL A 27 -8.293 5.628 -20.521 1.00 12.21 C ATOM 432 CG1 VAL A 27 -8.766 4.378 -19.801 1.00 53.11 C ATOM 433 CG2 VAL A 27 -8.561 5.525 -22.007 1.00 60.41 C ATOM 0 H VAL A 27 -7.639 8.201 -20.865 1.00 25.24 H new ATOM 0 HA VAL A 27 -10.067 6.740 -20.059 1.00 61.12 H new ATOM 0 HB VAL A 27 -7.219 5.717 -20.358 1.00 12.21 H new ATOM 0 HG11 VAL A 27 -8.260 3.506 -20.215 1.00 53.11 H new ATOM 0 HG12 VAL A 27 -8.536 4.461 -18.739 1.00 53.11 H new ATOM 0 HG13 VAL A 27 -9.843 4.268 -19.932 1.00 53.11 H new ATOM 0 HG21 VAL A 27 -8.067 4.639 -22.405 1.00 60.41 H new ATOM 0 HG22 VAL A 27 -9.635 5.450 -22.179 1.00 60.41 H new ATOM 0 HG23 VAL A 27 -8.174 6.412 -22.509 1.00 60.41 H new ATOM 443 N ILE A 28 -9.648 6.839 -17.644 1.00 72.30 N ATOM 444 CA ILE A 28 -9.509 7.043 -16.214 1.00 75.33 C ATOM 445 C ILE A 28 -9.186 5.724 -15.517 1.00 62.13 C ATOM 446 O ILE A 28 -9.952 4.756 -15.587 1.00 32.11 O ATOM 447 CB ILE A 28 -10.788 7.664 -15.592 1.00 63.12 C ATOM 448 CG1 ILE A 28 -11.072 9.058 -16.171 1.00 15.13 C ATOM 449 CG2 ILE A 28 -10.667 7.746 -14.079 1.00 74.24 C ATOM 450 CD1 ILE A 28 -11.710 9.045 -17.546 1.00 42.25 C ATOM 0 H ILE A 28 -10.574 6.521 -17.931 1.00 72.30 H new ATOM 0 HA ILE A 28 -8.688 7.744 -16.066 1.00 75.33 H new ATOM 0 HB ILE A 28 -11.624 7.011 -15.845 1.00 63.12 H new ATOM 0 HG12 ILE A 28 -11.726 9.597 -15.485 1.00 15.13 H new ATOM 0 HG13 ILE A 28 -10.136 9.614 -16.223 1.00 15.13 H new ATOM 0 HG21 ILE A 28 -11.575 8.184 -13.665 1.00 74.24 H new ATOM 0 HG22 ILE A 28 -10.528 6.745 -13.670 1.00 74.24 H new ATOM 0 HG23 ILE A 28 -9.811 8.367 -13.816 1.00 74.24 H new ATOM 0 HD11 ILE A 28 -11.876 10.069 -17.880 1.00 42.25 H new ATOM 0 HD12 ILE A 28 -11.050 8.537 -18.249 1.00 42.25 H new ATOM 0 HD13 ILE A 28 -12.664 8.519 -17.500 1.00 42.25 H new ATOM 462 N PHE A 29 -8.042 5.698 -14.857 1.00 45.02 N ATOM 463 CA PHE A 29 -7.559 4.509 -14.184 1.00 1.22 C ATOM 464 C PHE A 29 -7.898 4.557 -12.701 1.00 23.52 C ATOM 465 O PHE A 29 -7.607 5.537 -12.010 1.00 21.52 O ATOM 466 CB PHE A 29 -6.042 4.375 -14.367 1.00 11.24 C ATOM 467 CG PHE A 29 -5.609 4.388 -15.808 1.00 62.42 C ATOM 468 CD1 PHE A 29 -5.686 3.240 -16.576 1.00 63.13 C ATOM 469 CD2 PHE A 29 -5.129 5.550 -16.392 1.00 62.30 C ATOM 470 CE1 PHE A 29 -5.297 3.248 -17.901 1.00 20.55 C ATOM 471 CE2 PHE A 29 -4.737 5.563 -17.716 1.00 45.52 C ATOM 472 CZ PHE A 29 -4.821 4.410 -18.471 1.00 2.34 C ATOM 0 H PHE A 29 -7.422 6.503 -14.773 1.00 45.02 H new ATOM 0 HA PHE A 29 -8.050 3.642 -14.627 1.00 1.22 H new ATOM 0 HB2 PHE A 29 -5.547 5.190 -13.839 1.00 11.24 H new ATOM 0 HB3 PHE A 29 -5.709 3.446 -13.904 1.00 11.24 H new ATOM 0 HD1 PHE A 29 -6.055 2.326 -16.134 1.00 63.13 H new ATOM 0 HD2 PHE A 29 -5.061 6.454 -15.805 1.00 62.30 H new ATOM 0 HE1 PHE A 29 -5.365 2.345 -18.490 1.00 20.55 H new ATOM 0 HE2 PHE A 29 -4.365 6.474 -18.161 1.00 45.52 H new ATOM 0 HZ PHE A 29 -4.514 4.418 -19.507 1.00 2.34 H new ATOM 482 N TYR A 30 -8.508 3.491 -12.221 1.00 14.13 N ATOM 483 CA TYR A 30 -8.854 3.365 -10.820 1.00 32.34 C ATOM 484 C TYR A 30 -7.774 2.558 -10.122 1.00 20.44 C ATOM 485 O TYR A 30 -7.350 1.523 -10.631 1.00 32.22 O ATOM 486 CB TYR A 30 -10.211 2.669 -10.671 1.00 35.52 C ATOM 487 CG TYR A 30 -10.735 2.617 -9.248 1.00 62.13 C ATOM 488 CD1 TYR A 30 -11.459 3.678 -8.721 1.00 45.32 C ATOM 489 CD2 TYR A 30 -10.521 1.506 -8.440 1.00 3.42 C ATOM 490 CE1 TYR A 30 -11.951 3.637 -7.430 1.00 55.14 C ATOM 491 CE2 TYR A 30 -11.010 1.460 -7.146 1.00 11.22 C ATOM 492 CZ TYR A 30 -11.725 2.528 -6.647 1.00 30.13 C ATOM 493 OH TYR A 30 -12.218 2.488 -5.359 1.00 53.01 O ATOM 0 H TYR A 30 -8.777 2.689 -12.791 1.00 14.13 H new ATOM 0 HA TYR A 30 -8.925 4.355 -10.368 1.00 32.34 H new ATOM 0 HB2 TYR A 30 -10.941 3.184 -11.295 1.00 35.52 H new ATOM 0 HB3 TYR A 30 -10.128 1.651 -11.052 1.00 35.52 H new ATOM 0 HD1 TYR A 30 -11.641 4.551 -9.331 1.00 45.32 H new ATOM 0 HD2 TYR A 30 -9.964 0.666 -8.828 1.00 3.42 H new ATOM 0 HE1 TYR A 30 -12.511 4.473 -7.037 1.00 55.14 H new ATOM 0 HE2 TYR A 30 -10.832 0.591 -6.530 1.00 11.22 H new ATOM 0 HH TYR A 30 -11.973 1.636 -4.941 1.00 53.01 H new ATOM 503 N ILE A 31 -7.301 3.031 -8.982 1.00 64.33 N ATOM 504 CA ILE A 31 -6.286 2.296 -8.257 1.00 1.10 C ATOM 505 C ILE A 31 -6.953 1.166 -7.470 1.00 13.12 C ATOM 506 O ILE A 31 -7.576 1.357 -6.422 1.00 0.22 O ATOM 507 CB ILE A 31 -5.417 3.235 -7.381 1.00 64.23 C ATOM 508 CG1 ILE A 31 -4.165 2.514 -6.861 1.00 44.44 C ATOM 509 CG2 ILE A 31 -6.207 3.851 -6.235 1.00 62.43 C ATOM 510 CD1 ILE A 31 -3.290 1.958 -7.961 1.00 10.21 C ATOM 0 H ILE A 31 -7.598 3.904 -8.547 1.00 64.33 H new ATOM 0 HA ILE A 31 -5.587 1.841 -8.959 1.00 1.10 H new ATOM 0 HB ILE A 31 -5.094 4.054 -8.024 1.00 64.23 H new ATOM 0 HG12 ILE A 31 -3.580 3.208 -6.258 1.00 44.44 H new ATOM 0 HG13 ILE A 31 -4.471 1.700 -6.204 1.00 44.44 H new ATOM 0 HG21 ILE A 31 -5.555 4.500 -5.651 1.00 62.43 H new ATOM 0 HG22 ILE A 31 -7.035 4.435 -6.637 1.00 62.43 H new ATOM 0 HG23 ILE A 31 -6.598 3.059 -5.596 1.00 62.43 H new ATOM 0 HD11 ILE A 31 -2.424 1.462 -7.522 1.00 10.21 H new ATOM 0 HD12 ILE A 31 -3.859 1.239 -8.551 1.00 10.21 H new ATOM 0 HD13 ILE A 31 -2.955 2.771 -8.605 1.00 10.21 H new ATOM 522 N ARG A 32 -6.834 -0.015 -8.037 1.00 41.15 N ATOM 523 CA ARG A 32 -7.597 -1.178 -7.631 1.00 24.32 C ATOM 524 C ARG A 32 -6.997 -1.823 -6.391 1.00 44.12 C ATOM 525 O ARG A 32 -5.795 -2.095 -6.341 1.00 60.45 O ATOM 526 CB ARG A 32 -7.618 -2.169 -8.794 1.00 14.04 C ATOM 527 CG ARG A 32 -8.588 -3.318 -8.631 1.00 5.01 C ATOM 528 CD ARG A 32 -8.585 -4.199 -9.868 1.00 63.54 C ATOM 529 NE ARG A 32 -9.576 -5.268 -9.771 1.00 34.25 N ATOM 530 CZ ARG A 32 -10.328 -5.692 -10.785 1.00 13.44 C ATOM 531 NH1 ARG A 32 -10.257 -5.109 -11.975 1.00 65.22 N ATOM 532 NH2 ARG A 32 -11.165 -6.703 -10.606 1.00 10.03 N ATOM 0 H ARG A 32 -6.192 -0.198 -8.808 1.00 41.15 H new ATOM 0 HA ARG A 32 -8.613 -0.876 -7.378 1.00 24.32 H new ATOM 0 HB2 ARG A 32 -7.866 -1.630 -9.708 1.00 14.04 H new ATOM 0 HB3 ARG A 32 -6.615 -2.575 -8.925 1.00 14.04 H new ATOM 0 HG2 ARG A 32 -8.317 -3.909 -7.756 1.00 5.01 H new ATOM 0 HG3 ARG A 32 -9.592 -2.931 -8.456 1.00 5.01 H new ATOM 0 HD2 ARG A 32 -8.791 -3.591 -10.749 1.00 63.54 H new ATOM 0 HD3 ARG A 32 -7.594 -4.632 -10.004 1.00 63.54 H new ATOM 0 HE ARG A 32 -9.700 -5.720 -8.865 1.00 34.25 H new ATOM 0 HH11 ARG A 32 -9.620 -4.326 -12.122 1.00 65.22 H new ATOM 0 HH12 ARG A 32 -10.839 -5.444 -12.743 1.00 65.22 H new ATOM 0 HH21 ARG A 32 -11.232 -7.154 -9.694 1.00 10.03 H new ATOM 0 HH22 ARG A 32 -11.742 -7.030 -11.380 1.00 10.03 H new ATOM 546 N ASP A 33 -7.843 -2.025 -5.383 1.00 11.10 N ATOM 547 CA ASP A 33 -7.457 -2.679 -4.129 1.00 1.10 C ATOM 548 C ASP A 33 -6.307 -1.952 -3.441 1.00 13.34 C ATOM 549 O ASP A 33 -5.692 -2.487 -2.517 1.00 45.53 O ATOM 550 CB ASP A 33 -7.079 -4.144 -4.369 1.00 51.13 C ATOM 551 CG ASP A 33 -8.242 -4.966 -4.883 1.00 35.32 C ATOM 552 OD1 ASP A 33 -9.218 -5.163 -4.128 1.00 71.34 O ATOM 553 OD2 ASP A 33 -8.184 -5.429 -6.044 1.00 63.02 O ATOM 0 H ASP A 33 -8.822 -1.739 -5.411 1.00 11.10 H new ATOM 0 HA ASP A 33 -8.324 -2.640 -3.470 1.00 1.10 H new ATOM 0 HB2 ASP A 33 -6.260 -4.192 -5.086 1.00 51.13 H new ATOM 0 HB3 ASP A 33 -6.714 -4.579 -3.439 1.00 51.13 H new ATOM 558 N GLU A 34 -6.038 -0.728 -3.892 1.00 13.12 N ATOM 559 CA GLU A 34 -4.965 0.095 -3.346 1.00 1.41 C ATOM 560 C GLU A 34 -3.607 -0.582 -3.533 1.00 24.45 C ATOM 561 O GLU A 34 -2.677 -0.352 -2.764 1.00 54.22 O ATOM 562 CB GLU A 34 -5.229 0.391 -1.866 1.00 70.32 C ATOM 563 CG GLU A 34 -6.574 1.055 -1.626 1.00 33.01 C ATOM 564 CD GLU A 34 -6.779 1.487 -0.188 1.00 30.41 C ATOM 565 OE1 GLU A 34 -7.289 0.680 0.616 1.00 13.23 O ATOM 566 OE2 GLU A 34 -6.463 2.652 0.141 1.00 14.14 O ATOM 0 H GLU A 34 -6.559 -0.281 -4.646 1.00 13.12 H new ATOM 0 HA GLU A 34 -4.942 1.039 -3.890 1.00 1.41 H new ATOM 0 HB2 GLU A 34 -5.183 -0.540 -1.301 1.00 70.32 H new ATOM 0 HB3 GLU A 34 -4.438 1.036 -1.483 1.00 70.32 H new ATOM 0 HG2 GLU A 34 -6.663 1.925 -2.276 1.00 33.01 H new ATOM 0 HG3 GLU A 34 -7.368 0.364 -1.908 1.00 33.01 H new ATOM 573 N LYS A 35 -3.487 -1.400 -4.573 1.00 73.11 N ATOM 574 CA LYS A 35 -2.236 -2.101 -4.834 1.00 10.11 C ATOM 575 C LYS A 35 -2.025 -2.371 -6.322 1.00 50.11 C ATOM 576 O LYS A 35 -0.903 -2.619 -6.756 1.00 43.43 O ATOM 577 CB LYS A 35 -2.202 -3.430 -4.079 1.00 4.14 C ATOM 578 CG LYS A 35 -3.337 -4.366 -4.465 1.00 2.31 C ATOM 579 CD LYS A 35 -2.910 -5.821 -4.412 1.00 63.54 C ATOM 580 CE LYS A 35 -1.730 -6.082 -5.336 1.00 24.25 C ATOM 581 NZ LYS A 35 -1.483 -7.532 -5.541 1.00 10.22 N ATOM 0 H LYS A 35 -4.232 -1.593 -5.242 1.00 73.11 H new ATOM 0 HA LYS A 35 -1.433 -1.451 -4.487 1.00 10.11 H new ATOM 0 HB2 LYS A 35 -1.250 -3.925 -4.270 1.00 4.14 H new ATOM 0 HB3 LYS A 35 -2.250 -3.234 -3.008 1.00 4.14 H new ATOM 0 HG2 LYS A 35 -4.181 -4.210 -3.793 1.00 2.31 H new ATOM 0 HG3 LYS A 35 -3.681 -4.125 -5.471 1.00 2.31 H new ATOM 0 HD2 LYS A 35 -2.641 -6.087 -3.390 1.00 63.54 H new ATOM 0 HD3 LYS A 35 -3.747 -6.459 -4.697 1.00 63.54 H new ATOM 0 HE2 LYS A 35 -1.915 -5.608 -6.300 1.00 24.25 H new ATOM 0 HE3 LYS A 35 -0.836 -5.619 -4.919 1.00 24.25 H new ATOM 0 HZ1 LYS A 35 -0.670 -7.659 -6.177 1.00 10.22 H new ATOM 0 HZ2 LYS A 35 -1.280 -7.982 -4.626 1.00 10.22 H new ATOM 0 HZ3 LYS A 35 -2.325 -7.971 -5.964 1.00 10.22 H new ATOM 595 N GLN A 36 -3.097 -2.347 -7.101 1.00 75.34 N ATOM 596 CA GLN A 36 -3.011 -2.697 -8.514 1.00 13.02 C ATOM 597 C GLN A 36 -3.767 -1.703 -9.386 1.00 3.30 C ATOM 598 O GLN A 36 -4.612 -0.966 -8.904 1.00 2.20 O ATOM 599 CB GLN A 36 -3.501 -4.129 -8.749 1.00 1.31 C ATOM 600 CG GLN A 36 -4.700 -4.532 -7.906 1.00 14.44 C ATOM 601 CD GLN A 36 -5.002 -6.013 -8.012 1.00 30.41 C ATOM 602 OE1 GLN A 36 -4.110 -6.820 -8.265 1.00 1.22 O ATOM 603 NE2 GLN A 36 -6.249 -6.386 -7.782 1.00 24.42 N ATOM 0 H GLN A 36 -4.031 -2.091 -6.782 1.00 75.34 H new ATOM 0 HA GLN A 36 -1.962 -2.646 -8.805 1.00 13.02 H new ATOM 0 HB2 GLN A 36 -3.759 -4.243 -9.802 1.00 1.31 H new ATOM 0 HB3 GLN A 36 -2.681 -4.818 -8.545 1.00 1.31 H new ATOM 0 HG2 GLN A 36 -4.512 -4.275 -6.864 1.00 14.44 H new ATOM 0 HG3 GLN A 36 -5.573 -3.961 -8.223 1.00 14.44 H new ATOM 0 HE21 GLN A 36 -6.961 -5.685 -7.575 1.00 24.42 H new ATOM 0 HE22 GLN A 36 -6.499 -7.374 -7.811 1.00 24.42 H new ATOM 612 N ILE A 37 -3.426 -1.666 -10.663 1.00 22.20 N ATOM 613 CA ILE A 37 -4.041 -0.734 -11.600 1.00 13.43 C ATOM 614 C ILE A 37 -5.360 -1.293 -12.112 1.00 0.05 C ATOM 615 O ILE A 37 -5.536 -2.509 -12.171 1.00 33.33 O ATOM 616 CB ILE A 37 -3.132 -0.480 -12.816 1.00 14.24 C ATOM 617 CG1 ILE A 37 -1.668 -0.403 -12.382 1.00 44.03 C ATOM 618 CG2 ILE A 37 -3.549 0.799 -13.535 1.00 13.24 C ATOM 619 CD1 ILE A 37 -0.709 -0.078 -13.508 1.00 32.34 C ATOM 0 H ILE A 37 -2.721 -2.275 -11.079 1.00 22.20 H new ATOM 0 HA ILE A 37 -4.202 0.201 -11.063 1.00 13.43 H new ATOM 0 HB ILE A 37 -3.240 -1.314 -13.510 1.00 14.24 H new ATOM 0 HG12 ILE A 37 -1.569 0.354 -11.604 1.00 44.03 H new ATOM 0 HG13 ILE A 37 -1.381 -1.356 -11.937 1.00 44.03 H new ATOM 0 HG21 ILE A 37 -2.896 0.964 -14.392 1.00 13.24 H new ATOM 0 HG22 ILE A 37 -4.580 0.705 -13.877 1.00 13.24 H new ATOM 0 HG23 ILE A 37 -3.469 1.644 -12.851 1.00 13.24 H new ATOM 0 HD11 ILE A 37 0.309 -0.041 -13.120 1.00 32.34 H new ATOM 0 HD12 ILE A 37 -0.777 -0.848 -14.277 1.00 32.34 H new ATOM 0 HD13 ILE A 37 -0.968 0.889 -13.939 1.00 32.34 H new ATOM 631 N ASP A 38 -6.274 -0.415 -12.492 1.00 34.11 N ATOM 632 CA ASP A 38 -7.541 -0.839 -13.067 1.00 2.32 C ATOM 633 C ASP A 38 -8.130 0.274 -13.924 1.00 31.43 C ATOM 634 O ASP A 38 -7.744 1.432 -13.792 1.00 74.13 O ATOM 635 CB ASP A 38 -8.523 -1.228 -11.962 1.00 65.11 C ATOM 636 CG ASP A 38 -9.778 -1.885 -12.507 1.00 30.04 C ATOM 637 OD1 ASP A 38 -9.684 -2.596 -13.533 1.00 44.21 O ATOM 638 OD2 ASP A 38 -10.853 -1.722 -11.905 1.00 60.25 O ATOM 0 H ASP A 38 -6.163 0.596 -12.413 1.00 34.11 H new ATOM 0 HA ASP A 38 -7.362 -1.710 -13.697 1.00 2.32 H new ATOM 0 HB2 ASP A 38 -8.032 -1.909 -11.267 1.00 65.11 H new ATOM 0 HB3 ASP A 38 -8.799 -0.339 -11.395 1.00 65.11 H new ATOM 643 N VAL A 39 -9.042 -0.081 -14.815 1.00 71.44 N ATOM 644 CA VAL A 39 -9.712 0.898 -15.663 1.00 44.41 C ATOM 645 C VAL A 39 -11.220 0.785 -15.492 1.00 43.33 C ATOM 646 O VAL A 39 -11.818 -0.227 -15.863 1.00 22.44 O ATOM 647 CB VAL A 39 -9.363 0.710 -17.154 1.00 24.42 C ATOM 648 CG1 VAL A 39 -10.053 1.766 -18.004 1.00 21.11 C ATOM 649 CG2 VAL A 39 -7.860 0.746 -17.365 1.00 74.24 C ATOM 0 H VAL A 39 -9.338 -1.044 -14.972 1.00 71.44 H new ATOM 0 HA VAL A 39 -9.365 1.884 -15.353 1.00 44.41 H new ATOM 0 HB VAL A 39 -9.725 -0.269 -17.467 1.00 24.42 H new ATOM 0 HG11 VAL A 39 -9.794 1.616 -19.052 1.00 21.11 H new ATOM 0 HG12 VAL A 39 -11.133 1.683 -17.882 1.00 21.11 H new ATOM 0 HG13 VAL A 39 -9.727 2.757 -17.688 1.00 21.11 H new ATOM 0 HG21 VAL A 39 -7.638 0.611 -18.424 1.00 74.24 H new ATOM 0 HG22 VAL A 39 -7.469 1.707 -17.031 1.00 74.24 H new ATOM 0 HG23 VAL A 39 -7.393 -0.055 -16.792 1.00 74.24 H new ATOM 659 N GLU A 40 -11.835 1.810 -14.923 1.00 75.32 N ATOM 660 CA GLU A 40 -13.269 1.773 -14.678 1.00 70.40 C ATOM 661 C GLU A 40 -13.998 2.874 -15.439 1.00 73.11 C ATOM 662 O GLU A 40 -15.187 2.750 -15.728 1.00 70.34 O ATOM 663 CB GLU A 40 -13.565 1.907 -13.190 1.00 45.44 C ATOM 664 CG GLU A 40 -12.905 0.846 -12.327 1.00 55.12 C ATOM 665 CD GLU A 40 -13.408 0.894 -10.897 1.00 60.31 C ATOM 666 OE1 GLU A 40 -13.675 2.005 -10.396 1.00 24.24 O ATOM 667 OE2 GLU A 40 -13.584 -0.178 -10.281 1.00 64.23 O ATOM 0 H GLU A 40 -11.371 2.668 -14.625 1.00 75.32 H new ATOM 0 HA GLU A 40 -13.630 0.808 -15.035 1.00 70.40 H new ATOM 0 HB2 GLU A 40 -13.237 2.890 -12.853 1.00 45.44 H new ATOM 0 HB3 GLU A 40 -14.644 1.862 -13.040 1.00 45.44 H new ATOM 0 HG2 GLU A 40 -13.101 -0.140 -12.749 1.00 55.12 H new ATOM 0 HG3 GLU A 40 -11.824 0.988 -12.338 1.00 55.12 H new ATOM 674 N THR A 41 -13.294 3.944 -15.767 1.00 44.55 N ATOM 675 CA THR A 41 -13.913 5.071 -16.442 1.00 63.11 C ATOM 676 C THR A 41 -13.167 5.391 -17.733 1.00 63.40 C ATOM 677 O THR A 41 -11.940 5.414 -17.757 1.00 52.21 O ATOM 678 CB THR A 41 -13.920 6.323 -15.539 1.00 70.34 C ATOM 679 OG1 THR A 41 -14.237 5.960 -14.185 1.00 51.41 O ATOM 680 CG2 THR A 41 -14.928 7.350 -16.038 1.00 53.22 C ATOM 0 H THR A 41 -12.298 4.056 -15.578 1.00 44.55 H new ATOM 0 HA THR A 41 -14.942 4.794 -16.672 1.00 63.11 H new ATOM 0 HB THR A 41 -12.924 6.765 -15.572 1.00 70.34 H new ATOM 0 HG1 THR A 41 -14.236 6.762 -13.623 1.00 51.41 H new ATOM 0 HG21 THR A 41 -14.913 8.222 -15.384 1.00 53.22 H new ATOM 0 HG22 THR A 41 -14.668 7.652 -17.052 1.00 53.22 H new ATOM 0 HG23 THR A 41 -15.926 6.912 -16.035 1.00 53.22 H new ATOM 688 N VAL A 42 -13.901 5.614 -18.809 1.00 30.13 N ATOM 689 CA VAL A 42 -13.290 5.997 -20.070 1.00 73.04 C ATOM 690 C VAL A 42 -14.106 7.093 -20.752 1.00 30.22 C ATOM 691 O VAL A 42 -15.322 6.976 -20.922 1.00 52.34 O ATOM 692 CB VAL A 42 -13.100 4.781 -21.013 1.00 23.01 C ATOM 693 CG1 VAL A 42 -14.428 4.127 -21.358 1.00 12.41 C ATOM 694 CG2 VAL A 42 -12.352 5.185 -22.276 1.00 13.35 C ATOM 0 H VAL A 42 -14.918 5.537 -18.835 1.00 30.13 H new ATOM 0 HA VAL A 42 -12.298 6.391 -19.848 1.00 73.04 H new ATOM 0 HB VAL A 42 -12.499 4.044 -20.480 1.00 23.01 H new ATOM 0 HG11 VAL A 42 -14.255 3.279 -22.020 1.00 12.41 H new ATOM 0 HG12 VAL A 42 -14.911 3.781 -20.444 1.00 12.41 H new ATOM 0 HG13 VAL A 42 -15.072 4.851 -21.857 1.00 12.41 H new ATOM 0 HG21 VAL A 42 -12.231 4.315 -22.921 1.00 13.35 H new ATOM 0 HG22 VAL A 42 -12.918 5.953 -22.804 1.00 13.35 H new ATOM 0 HG23 VAL A 42 -11.371 5.577 -22.008 1.00 13.35 H new ATOM 704 N ALA A 43 -13.433 8.173 -21.104 1.00 43.42 N ATOM 705 CA ALA A 43 -14.078 9.297 -21.753 1.00 61.33 C ATOM 706 C ALA A 43 -13.658 9.380 -23.211 1.00 42.40 C ATOM 707 O ALA A 43 -12.466 9.346 -23.532 1.00 64.10 O ATOM 708 CB ALA A 43 -13.746 10.585 -21.022 1.00 34.33 C ATOM 0 H ALA A 43 -12.432 8.295 -20.949 1.00 43.42 H new ATOM 0 HA ALA A 43 -15.158 9.150 -21.718 1.00 61.33 H new ATOM 0 HB1 ALA A 43 -14.236 11.422 -21.519 1.00 34.33 H new ATOM 0 HB2 ALA A 43 -14.096 10.519 -19.992 1.00 34.33 H new ATOM 0 HB3 ALA A 43 -12.667 10.740 -21.030 1.00 34.33 H new ATOM 714 N ASP A 44 -14.637 9.480 -24.093 1.00 3.14 N ATOM 715 CA ASP A 44 -14.367 9.516 -25.519 1.00 53.34 C ATOM 716 C ASP A 44 -14.473 10.945 -26.052 1.00 24.32 C ATOM 717 O ASP A 44 -14.378 11.911 -25.294 1.00 12.02 O ATOM 718 CB ASP A 44 -15.329 8.582 -26.268 1.00 42.53 C ATOM 719 CG ASP A 44 -16.758 9.079 -26.271 1.00 3.42 C ATOM 720 OD1 ASP A 44 -17.457 8.915 -25.250 1.00 14.43 O ATOM 721 OD2 ASP A 44 -17.184 9.639 -27.300 1.00 72.51 O ATOM 0 H ASP A 44 -15.625 9.538 -23.847 1.00 3.14 H new ATOM 0 HA ASP A 44 -13.348 9.167 -25.688 1.00 53.34 H new ATOM 0 HB2 ASP A 44 -14.988 8.469 -27.297 1.00 42.53 H new ATOM 0 HB3 ASP A 44 -15.296 7.593 -25.810 1.00 42.53 H new ATOM 726 N ARG A 45 -14.660 11.072 -27.357 1.00 0.20 N ATOM 727 CA ARG A 45 -14.684 12.373 -28.017 1.00 32.42 C ATOM 728 C ARG A 45 -16.009 13.104 -27.789 1.00 2.25 C ATOM 729 O ARG A 45 -16.117 14.301 -28.052 1.00 1.00 O ATOM 730 CB ARG A 45 -14.404 12.192 -29.516 1.00 32.54 C ATOM 731 CG ARG A 45 -15.271 11.134 -30.195 1.00 62.32 C ATOM 732 CD ARG A 45 -16.621 11.688 -30.628 1.00 72.31 C ATOM 733 NE ARG A 45 -16.488 12.671 -31.702 1.00 71.12 N ATOM 734 CZ ARG A 45 -17.225 12.664 -32.811 1.00 22.25 C ATOM 735 NH1 ARG A 45 -18.178 11.755 -32.972 1.00 74.42 N ATOM 736 NH2 ARG A 45 -17.007 13.565 -33.764 1.00 33.40 N ATOM 0 H ARG A 45 -14.799 10.282 -27.987 1.00 0.20 H new ATOM 0 HA ARG A 45 -13.904 12.995 -27.579 1.00 32.42 H new ATOM 0 HB2 ARG A 45 -14.556 13.147 -30.020 1.00 32.54 H new ATOM 0 HB3 ARG A 45 -13.356 11.925 -29.648 1.00 32.54 H new ATOM 0 HG2 ARG A 45 -14.746 10.740 -31.065 1.00 62.32 H new ATOM 0 HG3 ARG A 45 -15.425 10.299 -29.511 1.00 62.32 H new ATOM 0 HD2 ARG A 45 -17.259 10.870 -30.962 1.00 72.31 H new ATOM 0 HD3 ARG A 45 -17.115 12.149 -29.773 1.00 72.31 H new ATOM 0 HE ARG A 45 -15.789 13.406 -31.595 1.00 71.12 H new ATOM 0 HH11 ARG A 45 -18.347 11.060 -32.245 1.00 74.42 H new ATOM 0 HH12 ARG A 45 -18.741 11.752 -33.822 1.00 74.42 H new ATOM 0 HH21 ARG A 45 -16.274 14.264 -33.647 1.00 33.40 H new ATOM 0 HH22 ARG A 45 -17.573 13.557 -34.612 1.00 33.40 H new ATOM 750 N ASN A 46 -17.006 12.378 -27.302 1.00 12.43 N ATOM 751 CA ASN A 46 -18.325 12.946 -27.039 1.00 23.31 C ATOM 752 C ASN A 46 -18.280 13.998 -25.931 1.00 72.24 C ATOM 753 O ASN A 46 -18.801 15.103 -26.098 1.00 62.04 O ATOM 754 CB ASN A 46 -19.309 11.828 -26.680 1.00 31.10 C ATOM 755 CG ASN A 46 -20.625 12.345 -26.132 1.00 24.12 C ATOM 756 OD1 ASN A 46 -21.524 12.713 -26.889 1.00 35.24 O ATOM 757 ND2 ASN A 46 -20.756 12.344 -24.813 1.00 13.35 N ATOM 0 H ASN A 46 -16.927 11.386 -27.079 1.00 12.43 H new ATOM 0 HA ASN A 46 -18.663 13.447 -27.946 1.00 23.31 H new ATOM 0 HB2 ASN A 46 -19.504 11.225 -27.567 1.00 31.10 H new ATOM 0 HB3 ASN A 46 -18.849 11.170 -25.943 1.00 31.10 H new ATOM 0 HD21 ASN A 46 -21.628 12.657 -24.387 1.00 13.35 H new ATOM 0 HD22 ASN A 46 -19.984 12.030 -24.224 1.00 13.35 H new ATOM 764 N ALA A 47 -17.664 13.652 -24.808 1.00 22.42 N ATOM 765 CA ALA A 47 -17.567 14.565 -23.675 1.00 33.31 C ATOM 766 C ALA A 47 -16.506 15.629 -23.925 1.00 62.44 C ATOM 767 O ALA A 47 -15.615 15.445 -24.755 1.00 22.14 O ATOM 768 CB ALA A 47 -17.254 13.792 -22.403 1.00 60.41 C ATOM 0 H ALA A 47 -17.223 12.745 -24.657 1.00 22.42 H new ATOM 0 HA ALA A 47 -18.528 15.066 -23.555 1.00 33.31 H new ATOM 0 HB1 ALA A 47 -17.184 14.485 -21.564 1.00 60.41 H new ATOM 0 HB2 ALA A 47 -18.047 13.069 -22.212 1.00 60.41 H new ATOM 0 HB3 ALA A 47 -16.306 13.267 -22.520 1.00 60.41 H new ATOM 774 N GLU A 48 -16.600 16.744 -23.215 1.00 51.23 N ATOM 775 CA GLU A 48 -15.625 17.813 -23.363 1.00 34.11 C ATOM 776 C GLU A 48 -14.688 17.864 -22.158 1.00 54.12 C ATOM 777 O GLU A 48 -14.823 17.072 -21.225 1.00 75.11 O ATOM 778 CB GLU A 48 -16.316 19.159 -23.575 1.00 52.40 C ATOM 779 CG GLU A 48 -17.248 19.563 -22.451 1.00 64.52 C ATOM 780 CD GLU A 48 -17.905 20.896 -22.720 1.00 72.10 C ATOM 781 OE1 GLU A 48 -17.207 21.928 -22.646 1.00 13.32 O ATOM 782 OE2 GLU A 48 -19.112 20.914 -23.035 1.00 64.13 O ATOM 0 H GLU A 48 -17.337 16.931 -22.535 1.00 51.23 H new ATOM 0 HA GLU A 48 -15.025 17.602 -24.248 1.00 34.11 H new ATOM 0 HB2 GLU A 48 -15.555 19.930 -23.696 1.00 52.40 H new ATOM 0 HB3 GLU A 48 -16.882 19.121 -24.506 1.00 52.40 H new ATOM 0 HG2 GLU A 48 -18.015 18.799 -22.322 1.00 64.52 H new ATOM 0 HG3 GLU A 48 -16.689 19.615 -21.516 1.00 64.52 H new ATOM 789 N TYR A 49 -13.764 18.818 -22.168 1.00 11.42 N ATOM 790 CA TYR A 49 -12.658 18.826 -21.219 1.00 12.00 C ATOM 791 C TYR A 49 -13.121 19.111 -19.799 1.00 34.21 C ATOM 792 O TYR A 49 -12.675 18.455 -18.859 1.00 2.10 O ATOM 793 CB TYR A 49 -11.597 19.838 -21.650 1.00 30.34 C ATOM 794 CG TYR A 49 -10.989 19.516 -22.997 1.00 24.44 C ATOM 795 CD1 TYR A 49 -10.023 18.526 -23.121 1.00 30.13 C ATOM 796 CD2 TYR A 49 -11.391 20.190 -24.143 1.00 44.13 C ATOM 797 CE1 TYR A 49 -9.479 18.211 -24.351 1.00 21.22 C ATOM 798 CE2 TYR A 49 -10.849 19.884 -25.376 1.00 62.23 C ATOM 799 CZ TYR A 49 -9.893 18.894 -25.473 1.00 41.43 C ATOM 800 OH TYR A 49 -9.362 18.573 -26.701 1.00 63.12 O ATOM 0 H TYR A 49 -13.760 19.598 -22.825 1.00 11.42 H new ATOM 0 HA TYR A 49 -12.221 17.827 -21.220 1.00 12.00 H new ATOM 0 HB2 TYR A 49 -12.044 20.832 -21.687 1.00 30.34 H new ATOM 0 HB3 TYR A 49 -10.807 19.871 -20.899 1.00 30.34 H new ATOM 0 HD1 TYR A 49 -9.692 17.994 -22.242 1.00 30.13 H new ATOM 0 HD2 TYR A 49 -12.139 20.965 -24.069 1.00 44.13 H new ATOM 0 HE1 TYR A 49 -8.734 17.434 -24.432 1.00 21.22 H new ATOM 0 HE2 TYR A 49 -11.172 20.416 -26.259 1.00 62.23 H new ATOM 0 HH TYR A 49 -9.760 19.146 -27.389 1.00 63.12 H new ATOM 810 N ASP A 50 -14.023 20.069 -19.645 1.00 10.54 N ATOM 811 CA ASP A 50 -14.533 20.427 -18.322 1.00 74.21 C ATOM 812 C ASP A 50 -15.199 19.227 -17.658 1.00 73.12 C ATOM 813 O ASP A 50 -15.085 19.027 -16.449 1.00 62.34 O ATOM 814 CB ASP A 50 -15.526 21.590 -18.418 1.00 31.10 C ATOM 815 CG ASP A 50 -14.862 22.897 -18.804 1.00 55.55 C ATOM 816 OD1 ASP A 50 -14.703 23.153 -20.021 1.00 14.24 O ATOM 817 OD2 ASP A 50 -14.491 23.671 -17.900 1.00 5.34 O ATOM 0 H ASP A 50 -14.418 20.612 -20.413 1.00 10.54 H new ATOM 0 HA ASP A 50 -13.687 20.741 -17.711 1.00 74.21 H new ATOM 0 HB2 ASP A 50 -16.294 21.347 -19.152 1.00 31.10 H new ATOM 0 HB3 ASP A 50 -16.029 21.712 -17.459 1.00 31.10 H new ATOM 822 N GLN A 51 -15.856 18.407 -18.470 1.00 4.32 N ATOM 823 CA GLN A 51 -16.574 17.240 -17.974 1.00 3.11 C ATOM 824 C GLN A 51 -15.617 16.136 -17.528 1.00 5.32 C ATOM 825 O GLN A 51 -15.973 15.299 -16.697 1.00 11.51 O ATOM 826 CB GLN A 51 -17.510 16.708 -19.056 1.00 61.11 C ATOM 827 CG GLN A 51 -18.654 17.651 -19.384 1.00 43.53 C ATOM 828 CD GLN A 51 -19.480 17.183 -20.563 1.00 10.31 C ATOM 829 OE1 GLN A 51 -18.966 16.556 -21.489 1.00 41.05 O ATOM 830 NE2 GLN A 51 -20.766 17.478 -20.532 1.00 31.25 N ATOM 0 H GLN A 51 -15.906 18.531 -19.481 1.00 4.32 H new ATOM 0 HA GLN A 51 -17.155 17.550 -17.105 1.00 3.11 H new ATOM 0 HB2 GLN A 51 -16.935 16.519 -19.962 1.00 61.11 H new ATOM 0 HB3 GLN A 51 -17.920 15.751 -18.733 1.00 61.11 H new ATOM 0 HG2 GLN A 51 -19.299 17.750 -18.511 1.00 43.53 H new ATOM 0 HG3 GLN A 51 -18.252 18.642 -19.598 1.00 43.53 H new ATOM 0 HE21 GLN A 51 -21.151 18.000 -19.745 1.00 31.25 H new ATOM 0 HE22 GLN A 51 -21.375 17.184 -21.295 1.00 31.25 H new ATOM 839 N PHE A 52 -14.406 16.132 -18.080 1.00 50.42 N ATOM 840 CA PHE A 52 -13.415 15.121 -17.724 1.00 20.42 C ATOM 841 C PHE A 52 -12.959 15.314 -16.285 1.00 45.10 C ATOM 842 O PHE A 52 -13.092 14.417 -15.453 1.00 2.14 O ATOM 843 CB PHE A 52 -12.195 15.183 -18.648 1.00 11.30 C ATOM 844 CG PHE A 52 -12.496 14.944 -20.103 1.00 22.14 C ATOM 845 CD1 PHE A 52 -13.516 14.090 -20.489 1.00 62.43 C ATOM 846 CD2 PHE A 52 -11.744 15.568 -21.085 1.00 70.11 C ATOM 847 CE1 PHE A 52 -13.781 13.868 -21.828 1.00 32.14 C ATOM 848 CE2 PHE A 52 -12.005 15.349 -22.423 1.00 35.24 C ATOM 849 CZ PHE A 52 -13.023 14.497 -22.795 1.00 64.42 C ATOM 0 H PHE A 52 -14.089 16.812 -18.771 1.00 50.42 H new ATOM 0 HA PHE A 52 -13.888 14.146 -17.836 1.00 20.42 H new ATOM 0 HB2 PHE A 52 -11.727 16.162 -18.544 1.00 11.30 H new ATOM 0 HB3 PHE A 52 -11.466 14.444 -18.315 1.00 11.30 H new ATOM 0 HD1 PHE A 52 -14.110 13.593 -19.737 1.00 62.43 H new ATOM 0 HD2 PHE A 52 -10.943 16.234 -20.800 1.00 70.11 H new ATOM 0 HE1 PHE A 52 -14.581 13.203 -22.117 1.00 32.14 H new ATOM 0 HE2 PHE A 52 -11.412 15.845 -23.178 1.00 35.24 H new ATOM 0 HZ PHE A 52 -13.227 14.322 -23.841 1.00 64.42 H new ATOM 859 N LEU A 53 -12.440 16.503 -15.994 1.00 55.01 N ATOM 860 CA LEU A 53 -11.925 16.807 -14.663 1.00 2.13 C ATOM 861 C LEU A 53 -13.055 16.809 -13.641 1.00 10.42 C ATOM 862 O LEU A 53 -12.862 16.429 -12.483 1.00 52.20 O ATOM 863 CB LEU A 53 -11.196 18.158 -14.640 1.00 72.11 C ATOM 864 CG LEU A 53 -9.936 18.265 -15.514 1.00 13.23 C ATOM 865 CD1 LEU A 53 -9.105 16.995 -15.430 1.00 14.41 C ATOM 866 CD2 LEU A 53 -10.294 18.580 -16.957 1.00 22.54 C ATOM 0 H LEU A 53 -12.365 17.271 -16.661 1.00 55.01 H new ATOM 0 HA LEU A 53 -11.208 16.029 -14.401 1.00 2.13 H new ATOM 0 HB2 LEU A 53 -11.897 18.931 -14.954 1.00 72.11 H new ATOM 0 HB3 LEU A 53 -10.918 18.380 -13.610 1.00 72.11 H new ATOM 0 HG LEU A 53 -9.335 19.089 -15.129 1.00 13.23 H new ATOM 0 HD11 LEU A 53 -8.220 17.097 -16.058 1.00 14.41 H new ATOM 0 HD12 LEU A 53 -8.800 16.827 -14.397 1.00 14.41 H new ATOM 0 HD13 LEU A 53 -9.698 16.148 -15.775 1.00 14.41 H new ATOM 0 HD21 LEU A 53 -9.383 18.650 -17.551 1.00 22.54 H new ATOM 0 HD22 LEU A 53 -10.928 17.788 -17.356 1.00 22.54 H new ATOM 0 HD23 LEU A 53 -10.829 19.529 -17.000 1.00 22.54 H new ATOM 878 N GLU A 54 -14.234 17.235 -14.084 1.00 55.20 N ATOM 879 CA GLU A 54 -15.428 17.209 -13.251 1.00 10.12 C ATOM 880 C GLU A 54 -15.681 15.795 -12.732 1.00 4.34 C ATOM 881 O GLU A 54 -15.884 15.594 -11.535 1.00 41.54 O ATOM 882 CB GLU A 54 -16.635 17.712 -14.056 1.00 40.31 C ATOM 883 CG GLU A 54 -17.970 17.616 -13.329 1.00 70.14 C ATOM 884 CD GLU A 54 -18.026 18.456 -12.071 1.00 41.24 C ATOM 885 OE1 GLU A 54 -18.245 19.682 -12.173 1.00 74.41 O ATOM 886 OE2 GLU A 54 -17.871 17.890 -10.971 1.00 11.10 O ATOM 0 H GLU A 54 -14.387 17.605 -15.022 1.00 55.20 H new ATOM 0 HA GLU A 54 -15.279 17.866 -12.394 1.00 10.12 H new ATOM 0 HB2 GLU A 54 -16.462 18.752 -14.333 1.00 40.31 H new ATOM 0 HB3 GLU A 54 -16.700 17.142 -14.983 1.00 40.31 H new ATOM 0 HG2 GLU A 54 -18.767 17.930 -14.003 1.00 70.14 H new ATOM 0 HG3 GLU A 54 -18.162 16.574 -13.071 1.00 70.14 H new ATOM 893 N ASP A 55 -15.617 14.815 -13.630 1.00 62.30 N ATOM 894 CA ASP A 55 -15.924 13.430 -13.274 1.00 33.43 C ATOM 895 C ASP A 55 -14.870 12.849 -12.337 1.00 13.44 C ATOM 896 O ASP A 55 -15.163 11.973 -11.523 1.00 4.45 O ATOM 897 CB ASP A 55 -16.042 12.552 -14.521 1.00 72.01 C ATOM 898 CG ASP A 55 -16.788 11.260 -14.231 1.00 5.41 C ATOM 899 OD1 ASP A 55 -18.042 11.283 -14.223 1.00 34.24 O ATOM 900 OD2 ASP A 55 -16.132 10.221 -13.999 1.00 54.24 O ATOM 0 H ASP A 55 -15.356 14.952 -14.607 1.00 62.30 H new ATOM 0 HA ASP A 55 -16.883 13.439 -12.757 1.00 33.43 H new ATOM 0 HB2 ASP A 55 -16.560 13.103 -15.306 1.00 72.01 H new ATOM 0 HB3 ASP A 55 -15.046 12.320 -14.898 1.00 72.01 H new ATOM 905 N ILE A 56 -13.650 13.348 -12.433 1.00 20.40 N ATOM 906 CA ILE A 56 -12.572 12.852 -11.596 1.00 24.42 C ATOM 907 C ILE A 56 -12.702 13.377 -10.167 1.00 13.11 C ATOM 908 O ILE A 56 -12.505 12.632 -9.207 1.00 44.23 O ATOM 909 CB ILE A 56 -11.186 13.234 -12.152 1.00 40.23 C ATOM 910 CG1 ILE A 56 -11.065 12.815 -13.617 1.00 51.30 C ATOM 911 CG2 ILE A 56 -10.095 12.569 -11.326 1.00 62.00 C ATOM 912 CD1 ILE A 56 -9.764 13.239 -14.261 1.00 62.35 C ATOM 0 H ILE A 56 -13.382 14.092 -13.078 1.00 20.40 H new ATOM 0 HA ILE A 56 -12.656 11.765 -11.594 1.00 24.42 H new ATOM 0 HB ILE A 56 -11.070 14.316 -12.090 1.00 40.23 H new ATOM 0 HG12 ILE A 56 -11.159 11.731 -13.685 1.00 51.30 H new ATOM 0 HG13 ILE A 56 -11.895 13.243 -14.179 1.00 51.30 H new ATOM 0 HG21 ILE A 56 -9.118 12.843 -11.725 1.00 62.00 H new ATOM 0 HG22 ILE A 56 -10.170 12.900 -10.290 1.00 62.00 H new ATOM 0 HG23 ILE A 56 -10.214 11.486 -11.370 1.00 62.00 H new ATOM 0 HD11 ILE A 56 -9.747 12.908 -15.299 1.00 62.35 H new ATOM 0 HD12 ILE A 56 -9.677 14.325 -14.225 1.00 62.35 H new ATOM 0 HD13 ILE A 56 -8.929 12.790 -13.724 1.00 62.35 H new ATOM 924 N GLN A 57 -13.059 14.651 -10.020 1.00 54.44 N ATOM 925 CA GLN A 57 -13.130 15.257 -8.694 1.00 63.04 C ATOM 926 C GLN A 57 -14.320 14.701 -7.904 1.00 24.53 C ATOM 927 O GLN A 57 -14.273 14.615 -6.679 1.00 74.41 O ATOM 928 CB GLN A 57 -13.167 16.798 -8.782 1.00 14.03 C ATOM 929 CG GLN A 57 -14.478 17.400 -9.277 1.00 10.24 C ATOM 930 CD GLN A 57 -15.506 17.569 -8.171 1.00 0.12 C ATOM 931 OE1 GLN A 57 -15.156 17.759 -7.004 1.00 23.03 O ATOM 932 NE2 GLN A 57 -16.775 17.520 -8.531 1.00 63.11 N ATOM 0 H GLN A 57 -13.300 15.275 -10.790 1.00 54.44 H new ATOM 0 HA GLN A 57 -12.223 14.991 -8.151 1.00 63.04 H new ATOM 0 HB2 GLN A 57 -12.951 17.205 -7.794 1.00 14.03 H new ATOM 0 HB3 GLN A 57 -12.365 17.125 -9.444 1.00 14.03 H new ATOM 0 HG2 GLN A 57 -14.278 18.370 -9.731 1.00 10.24 H new ATOM 0 HG3 GLN A 57 -14.893 16.762 -10.057 1.00 10.24 H new ATOM 0 HE21 GLN A 57 -17.022 17.361 -9.508 1.00 63.11 H new ATOM 0 HE22 GLN A 57 -17.508 17.642 -7.833 1.00 63.11 H new ATOM 941 N LYS A 58 -15.375 14.305 -8.613 1.00 70.42 N ATOM 942 CA LYS A 58 -16.537 13.678 -7.979 1.00 45.30 C ATOM 943 C LYS A 58 -16.262 12.206 -7.694 1.00 53.40 C ATOM 944 O LYS A 58 -17.025 11.546 -6.992 1.00 20.22 O ATOM 945 CB LYS A 58 -17.778 13.802 -8.873 1.00 50.32 C ATOM 946 CG LYS A 58 -17.502 13.422 -10.315 1.00 23.20 C ATOM 947 CD LYS A 58 -18.762 13.253 -11.145 1.00 43.41 C ATOM 948 CE LYS A 58 -19.343 11.859 -10.993 1.00 5.13 C ATOM 949 NZ LYS A 58 -19.977 11.387 -12.253 1.00 62.23 N ATOM 0 H LYS A 58 -15.451 14.406 -9.625 1.00 70.42 H new ATOM 0 HA LYS A 58 -16.724 14.196 -7.039 1.00 45.30 H new ATOM 0 HB2 LYS A 58 -18.570 13.165 -8.479 1.00 50.32 H new ATOM 0 HB3 LYS A 58 -18.146 14.827 -8.836 1.00 50.32 H new ATOM 0 HG2 LYS A 58 -16.875 14.188 -10.771 1.00 23.20 H new ATOM 0 HG3 LYS A 58 -16.934 12.492 -10.336 1.00 23.20 H new ATOM 0 HD2 LYS A 58 -19.502 13.993 -10.840 1.00 43.41 H new ATOM 0 HD3 LYS A 58 -18.536 13.442 -12.194 1.00 43.41 H new ATOM 0 HE2 LYS A 58 -18.554 11.166 -10.701 1.00 5.13 H new ATOM 0 HE3 LYS A 58 -20.082 11.858 -10.191 1.00 5.13 H new ATOM 0 HZ1 LYS A 58 -20.493 10.503 -12.072 1.00 62.23 H new ATOM 0 HZ2 LYS A 58 -20.639 12.110 -12.600 1.00 62.23 H new ATOM 0 HZ3 LYS A 58 -19.242 11.218 -12.969 1.00 62.23 H new ATOM 963 N CYS A 59 -15.167 11.697 -8.239 1.00 71.51 N ATOM 964 CA CYS A 59 -14.832 10.289 -8.103 1.00 74.02 C ATOM 965 C CYS A 59 -14.107 10.035 -6.782 1.00 34.23 C ATOM 966 O CYS A 59 -14.143 8.927 -6.248 1.00 44.43 O ATOM 967 CB CYS A 59 -13.966 9.838 -9.281 1.00 0.54 C ATOM 968 SG CYS A 59 -13.873 8.046 -9.507 1.00 15.21 S ATOM 0 H CYS A 59 -14.495 12.240 -8.781 1.00 71.51 H new ATOM 0 HA CYS A 59 -15.756 9.710 -8.104 1.00 74.02 H new ATOM 0 HB2 CYS A 59 -14.357 10.286 -10.194 1.00 0.54 H new ATOM 0 HB3 CYS A 59 -12.957 10.226 -9.142 1.00 0.54 H new ATOM 0 HG CYS A 59 -13.497 7.781 -10.723 1.00 15.21 H new ATOM 974 N GLY A 60 -13.455 11.066 -6.253 1.00 71.25 N ATOM 975 CA GLY A 60 -12.758 10.929 -4.989 1.00 51.53 C ATOM 976 C GLY A 60 -12.196 12.246 -4.485 1.00 13.10 C ATOM 977 O GLY A 60 -11.488 12.939 -5.216 1.00 72.12 O ATOM 0 H GLY A 60 -13.397 11.992 -6.677 1.00 71.25 H new ATOM 0 HA2 GLY A 60 -13.441 10.521 -4.244 1.00 51.53 H new ATOM 0 HA3 GLY A 60 -11.945 10.211 -5.103 1.00 51.53 H new ATOM 981 N PRO A 61 -12.518 12.625 -3.239 1.00 21.44 N ATOM 982 CA PRO A 61 -12.011 13.849 -2.614 1.00 52.35 C ATOM 983 C PRO A 61 -10.591 13.691 -2.063 1.00 54.03 C ATOM 984 O PRO A 61 -9.690 14.453 -2.417 1.00 42.12 O ATOM 985 CB PRO A 61 -13.000 14.107 -1.463 1.00 2.33 C ATOM 986 CG PRO A 61 -14.054 13.049 -1.574 1.00 50.43 C ATOM 987 CD PRO A 61 -13.437 11.920 -2.344 1.00 53.23 C ATOM 0 HA PRO A 61 -11.946 14.665 -3.334 1.00 52.35 H new ATOM 0 HB2 PRO A 61 -12.496 14.055 -0.498 1.00 2.33 H new ATOM 0 HB3 PRO A 61 -13.437 15.102 -1.541 1.00 2.33 H new ATOM 0 HG2 PRO A 61 -14.376 12.716 -0.587 1.00 50.43 H new ATOM 0 HG3 PRO A 61 -14.937 13.432 -2.086 1.00 50.43 H new ATOM 0 HD2 PRO A 61 -12.914 11.220 -1.692 1.00 53.23 H new ATOM 0 HD3 PRO A 61 -14.183 11.347 -2.895 1.00 53.23 H new ATOM 995 N GLY A 62 -10.393 12.696 -1.200 1.00 52.30 N ATOM 996 CA GLY A 62 -9.096 12.503 -0.565 1.00 53.33 C ATOM 997 C GLY A 62 -8.192 11.583 -1.361 1.00 33.00 C ATOM 998 O GLY A 62 -7.155 11.133 -0.869 1.00 41.52 O ATOM 0 H GLY A 62 -11.107 12.020 -0.928 1.00 52.30 H new ATOM 0 HA2 GLY A 62 -8.608 13.470 -0.442 1.00 53.33 H new ATOM 0 HA3 GLY A 62 -9.241 12.090 0.433 1.00 53.33 H new ATOM 1002 N GLU A 63 -8.605 11.302 -2.587 1.00 14.51 N ATOM 1003 CA GLU A 63 -7.869 10.448 -3.502 1.00 13.43 C ATOM 1004 C GLU A 63 -8.548 10.498 -4.862 1.00 4.41 C ATOM 1005 O GLU A 63 -9.770 10.505 -4.945 1.00 34.53 O ATOM 1006 CB GLU A 63 -7.788 9.005 -2.993 1.00 32.22 C ATOM 1007 CG GLU A 63 -9.136 8.372 -2.691 1.00 71.23 C ATOM 1008 CD GLU A 63 -9.027 6.879 -2.486 1.00 70.14 C ATOM 1009 OE1 GLU A 63 -9.064 6.140 -3.488 1.00 71.21 O ATOM 1010 OE2 GLU A 63 -8.873 6.428 -1.329 1.00 73.22 O ATOM 0 H GLU A 63 -9.473 11.667 -2.979 1.00 14.51 H new ATOM 0 HA GLU A 63 -6.845 10.813 -3.580 1.00 13.43 H new ATOM 0 HB2 GLU A 63 -7.273 8.398 -3.738 1.00 32.22 H new ATOM 0 HB3 GLU A 63 -7.179 8.985 -2.089 1.00 32.22 H new ATOM 0 HG2 GLU A 63 -9.560 8.831 -1.798 1.00 71.23 H new ATOM 0 HG3 GLU A 63 -9.824 8.576 -3.511 1.00 71.23 H new ATOM 1017 N CYS A 64 -7.769 10.539 -5.917 1.00 14.21 N ATOM 1018 CA CYS A 64 -8.321 10.709 -7.247 1.00 35.21 C ATOM 1019 C CYS A 64 -7.844 9.599 -8.174 1.00 34.33 C ATOM 1020 O CYS A 64 -7.092 8.713 -7.761 1.00 1.10 O ATOM 1021 CB CYS A 64 -7.969 12.089 -7.800 1.00 41.33 C ATOM 1022 SG CYS A 64 -8.581 13.461 -6.790 1.00 51.14 S ATOM 0 H CYS A 64 -6.753 10.457 -5.884 1.00 14.21 H new ATOM 0 HA CYS A 64 -9.407 10.642 -7.184 1.00 35.21 H new ATOM 0 HB2 CYS A 64 -6.885 12.169 -7.887 1.00 41.33 H new ATOM 0 HB3 CYS A 64 -8.377 12.181 -8.807 1.00 41.33 H new ATOM 0 HG CYS A 64 -9.711 13.126 -6.241 1.00 51.14 H new ATOM 1028 N ARG A 65 -8.315 9.623 -9.411 1.00 3.31 N ATOM 1029 CA ARG A 65 -8.006 8.569 -10.365 1.00 45.45 C ATOM 1030 C ARG A 65 -7.137 9.145 -11.472 1.00 63.12 C ATOM 1031 O ARG A 65 -7.124 10.348 -11.680 1.00 4.00 O ATOM 1032 CB ARG A 65 -9.296 7.997 -10.959 1.00 73.10 C ATOM 1033 CG ARG A 65 -10.405 7.781 -9.942 1.00 12.24 C ATOM 1034 CD ARG A 65 -9.961 6.890 -8.798 1.00 1.21 C ATOM 1035 NE ARG A 65 -10.970 6.814 -7.745 1.00 32.31 N ATOM 1036 CZ ARG A 65 -10.685 6.733 -6.447 1.00 43.21 C ATOM 1037 NH1 ARG A 65 -9.425 6.782 -6.033 1.00 64.22 N ATOM 1038 NH2 ARG A 65 -11.662 6.616 -5.561 1.00 11.03 N ATOM 0 H ARG A 65 -8.914 10.362 -9.779 1.00 3.31 H new ATOM 0 HA ARG A 65 -7.473 7.765 -9.858 1.00 45.45 H new ATOM 0 HB2 ARG A 65 -9.656 8.672 -11.736 1.00 73.10 H new ATOM 0 HB3 ARG A 65 -9.071 7.046 -11.442 1.00 73.10 H new ATOM 0 HG2 ARG A 65 -10.727 8.744 -9.547 1.00 12.24 H new ATOM 0 HG3 ARG A 65 -11.268 7.334 -10.436 1.00 12.24 H new ATOM 0 HD2 ARG A 65 -9.755 5.889 -9.176 1.00 1.21 H new ATOM 0 HD3 ARG A 65 -9.029 7.272 -8.381 1.00 1.21 H new ATOM 0 HE ARG A 65 -11.952 6.824 -8.020 1.00 32.31 H new ATOM 0 HH11 ARG A 65 -8.669 6.882 -6.710 1.00 64.22 H new ATOM 0 HH12 ARG A 65 -9.213 6.719 -5.037 1.00 64.22 H new ATOM 0 HH21 ARG A 65 -12.633 6.588 -5.873 1.00 11.03 H new ATOM 0 HH22 ARG A 65 -11.444 6.554 -4.567 1.00 11.03 H new ATOM 1052 N TYR A 66 -6.450 8.296 -12.211 1.00 5.45 N ATOM 1053 CA TYR A 66 -5.410 8.767 -13.119 1.00 2.41 C ATOM 1054 C TYR A 66 -5.900 8.677 -14.552 1.00 74.44 C ATOM 1055 O TYR A 66 -6.924 8.059 -14.812 1.00 33.34 O ATOM 1056 CB TYR A 66 -4.142 7.925 -12.936 1.00 30.40 C ATOM 1057 CG TYR A 66 -3.927 7.474 -11.507 1.00 64.31 C ATOM 1058 CD1 TYR A 66 -3.590 8.381 -10.510 1.00 1.20 C ATOM 1059 CD2 TYR A 66 -4.075 6.138 -11.154 1.00 42.14 C ATOM 1060 CE1 TYR A 66 -3.413 7.970 -9.203 1.00 0.42 C ATOM 1061 CE2 TYR A 66 -3.896 5.719 -9.849 1.00 21.52 C ATOM 1062 CZ TYR A 66 -3.563 6.639 -8.877 1.00 60.53 C ATOM 1063 OH TYR A 66 -3.387 6.226 -7.575 1.00 23.33 O ATOM 0 H TYR A 66 -6.587 7.285 -12.205 1.00 5.45 H new ATOM 0 HA TYR A 66 -5.177 9.807 -12.893 1.00 2.41 H new ATOM 0 HB2 TYR A 66 -4.199 7.049 -13.582 1.00 30.40 H new ATOM 0 HB3 TYR A 66 -3.278 8.505 -13.261 1.00 30.40 H new ATOM 0 HD1 TYR A 66 -3.464 9.424 -10.761 1.00 1.20 H new ATOM 0 HD2 TYR A 66 -4.334 5.414 -11.913 1.00 42.14 H new ATOM 0 HE1 TYR A 66 -3.158 8.689 -8.439 1.00 0.42 H new ATOM 0 HE2 TYR A 66 -4.016 4.677 -9.592 1.00 21.52 H new ATOM 0 HH TYR A 66 -3.634 6.952 -6.965 1.00 23.33 H new ATOM 1073 N GLY A 67 -5.196 9.303 -15.480 1.00 73.23 N ATOM 1074 CA GLY A 67 -5.663 9.294 -16.846 1.00 70.44 C ATOM 1075 C GLY A 67 -4.562 9.421 -17.875 1.00 14.12 C ATOM 1076 O GLY A 67 -3.602 10.173 -17.690 1.00 25.20 O ATOM 0 H GLY A 67 -4.325 9.808 -15.316 1.00 73.23 H new ATOM 0 HA2 GLY A 67 -6.209 8.368 -17.026 1.00 70.44 H new ATOM 0 HA3 GLY A 67 -6.370 10.113 -16.983 1.00 70.44 H new ATOM 1080 N LEU A 68 -4.705 8.666 -18.955 1.00 12.13 N ATOM 1081 CA LEU A 68 -3.852 8.816 -20.121 1.00 14.33 C ATOM 1082 C LEU A 68 -4.646 9.518 -21.215 1.00 32.32 C ATOM 1083 O LEU A 68 -5.722 9.057 -21.601 1.00 45.33 O ATOM 1084 CB LEU A 68 -3.344 7.453 -20.613 1.00 45.13 C ATOM 1085 CG LEU A 68 -2.440 7.506 -21.844 1.00 42.14 C ATOM 1086 CD1 LEU A 68 -1.142 8.229 -21.523 1.00 35.23 C ATOM 1087 CD2 LEU A 68 -2.161 6.103 -22.363 1.00 53.51 C ATOM 0 H LEU A 68 -5.412 7.937 -19.046 1.00 12.13 H new ATOM 0 HA LEU A 68 -2.978 9.411 -19.856 1.00 14.33 H new ATOM 0 HB2 LEU A 68 -2.799 6.971 -19.801 1.00 45.13 H new ATOM 0 HB3 LEU A 68 -4.204 6.822 -20.839 1.00 45.13 H new ATOM 0 HG LEU A 68 -2.956 8.063 -22.626 1.00 42.14 H new ATOM 0 HD11 LEU A 68 -0.512 8.257 -22.412 1.00 35.23 H new ATOM 0 HD12 LEU A 68 -1.362 9.247 -21.203 1.00 35.23 H new ATOM 0 HD13 LEU A 68 -0.620 7.702 -20.724 1.00 35.23 H new ATOM 0 HD21 LEU A 68 -1.516 6.161 -23.240 1.00 53.51 H new ATOM 0 HD22 LEU A 68 -1.667 5.519 -21.586 1.00 53.51 H new ATOM 0 HD23 LEU A 68 -3.101 5.622 -22.635 1.00 53.51 H new ATOM 1099 N PHE A 69 -4.131 10.640 -21.685 1.00 51.33 N ATOM 1100 CA PHE A 69 -4.851 11.472 -22.635 1.00 45.11 C ATOM 1101 C PHE A 69 -4.126 11.505 -23.968 1.00 41.13 C ATOM 1102 O PHE A 69 -2.930 11.771 -24.010 1.00 70.34 O ATOM 1103 CB PHE A 69 -4.946 12.897 -22.089 1.00 62.23 C ATOM 1104 CG PHE A 69 -6.189 13.645 -22.497 1.00 2.11 C ATOM 1105 CD1 PHE A 69 -6.722 13.507 -23.770 1.00 4.22 C ATOM 1106 CD2 PHE A 69 -6.827 14.486 -21.599 1.00 15.25 C ATOM 1107 CE1 PHE A 69 -7.865 14.192 -24.136 1.00 14.54 C ATOM 1108 CE2 PHE A 69 -7.969 15.173 -21.960 1.00 53.24 C ATOM 1109 CZ PHE A 69 -8.488 15.026 -23.229 1.00 14.52 C ATOM 0 H PHE A 69 -3.212 10.998 -21.423 1.00 51.33 H new ATOM 0 HA PHE A 69 -5.848 11.055 -22.780 1.00 45.11 H new ATOM 0 HB2 PHE A 69 -4.902 12.858 -21.001 1.00 62.23 H new ATOM 0 HB3 PHE A 69 -4.074 13.459 -22.423 1.00 62.23 H new ATOM 0 HD1 PHE A 69 -6.238 12.857 -24.484 1.00 4.22 H new ATOM 0 HD2 PHE A 69 -6.426 14.606 -20.604 1.00 15.25 H new ATOM 0 HE1 PHE A 69 -8.270 14.075 -25.130 1.00 14.54 H new ATOM 0 HE2 PHE A 69 -8.455 15.825 -21.249 1.00 53.24 H new ATOM 0 HZ PHE A 69 -9.381 15.563 -23.513 1.00 14.52 H new ATOM 1119 N ASP A 70 -4.840 11.235 -25.045 1.00 15.23 N ATOM 1120 CA ASP A 70 -4.292 11.434 -26.380 1.00 11.33 C ATOM 1121 C ASP A 70 -5.201 12.335 -27.197 1.00 23.33 C ATOM 1122 O ASP A 70 -6.258 11.912 -27.673 1.00 61.20 O ATOM 1123 CB ASP A 70 -4.077 10.108 -27.119 1.00 63.34 C ATOM 1124 CG ASP A 70 -3.718 10.318 -28.585 1.00 10.54 C ATOM 1125 OD1 ASP A 70 -2.947 11.251 -28.895 1.00 71.31 O ATOM 1126 OD2 ASP A 70 -4.213 9.554 -29.439 1.00 52.55 O ATOM 0 H ASP A 70 -5.796 10.879 -25.026 1.00 15.23 H new ATOM 0 HA ASP A 70 -3.319 11.910 -26.259 1.00 11.33 H new ATOM 0 HB2 ASP A 70 -3.282 9.546 -26.629 1.00 63.34 H new ATOM 0 HB3 ASP A 70 -4.983 9.505 -27.051 1.00 63.34 H new ATOM 1131 N PHE A 71 -4.807 13.587 -27.339 1.00 4.43 N ATOM 1132 CA PHE A 71 -5.528 14.500 -28.195 1.00 63.01 C ATOM 1133 C PHE A 71 -4.561 15.184 -29.141 1.00 52.44 C ATOM 1134 O PHE A 71 -3.413 15.460 -28.793 1.00 71.34 O ATOM 1135 CB PHE A 71 -6.351 15.524 -27.394 1.00 43.12 C ATOM 1136 CG PHE A 71 -5.554 16.523 -26.595 1.00 24.51 C ATOM 1137 CD1 PHE A 71 -5.156 17.725 -27.161 1.00 72.44 C ATOM 1138 CD2 PHE A 71 -5.230 16.272 -25.272 1.00 71.25 C ATOM 1139 CE1 PHE A 71 -4.449 18.654 -26.423 1.00 30.11 C ATOM 1140 CE2 PHE A 71 -4.521 17.196 -24.531 1.00 30.05 C ATOM 1141 CZ PHE A 71 -4.130 18.388 -25.107 1.00 34.12 C ATOM 0 H PHE A 71 -3.994 13.990 -26.873 1.00 4.43 H new ATOM 0 HA PHE A 71 -6.246 13.923 -28.778 1.00 63.01 H new ATOM 0 HB2 PHE A 71 -6.992 16.069 -28.087 1.00 43.12 H new ATOM 0 HB3 PHE A 71 -7.007 14.982 -26.713 1.00 43.12 H new ATOM 0 HD1 PHE A 71 -5.402 17.937 -28.191 1.00 72.44 H new ATOM 0 HD2 PHE A 71 -5.536 15.343 -24.815 1.00 71.25 H new ATOM 0 HE1 PHE A 71 -4.146 19.587 -26.875 1.00 30.11 H new ATOM 0 HE2 PHE A 71 -4.272 16.986 -23.501 1.00 30.05 H new ATOM 0 HZ PHE A 71 -3.575 19.112 -24.528 1.00 34.12 H new ATOM 1151 N GLU A 72 -5.027 15.424 -30.345 1.00 71.11 N ATOM 1152 CA GLU A 72 -4.202 16.001 -31.381 1.00 53.42 C ATOM 1153 C GLU A 72 -4.324 17.518 -31.382 1.00 1.00 C ATOM 1154 O GLU A 72 -5.373 18.076 -31.707 1.00 22.10 O ATOM 1155 CB GLU A 72 -4.589 15.396 -32.729 1.00 74.23 C ATOM 1156 CG GLU A 72 -6.089 15.207 -32.891 1.00 22.15 C ATOM 1157 CD GLU A 72 -6.431 14.086 -33.842 1.00 22.43 C ATOM 1158 OE1 GLU A 72 -6.306 12.909 -33.439 1.00 51.34 O ATOM 1159 OE2 GLU A 72 -6.836 14.374 -34.986 1.00 35.00 O ATOM 0 H GLU A 72 -5.985 15.226 -30.633 1.00 71.11 H new ATOM 0 HA GLU A 72 -3.155 15.768 -31.189 1.00 53.42 H new ATOM 0 HB2 GLU A 72 -4.222 16.040 -33.528 1.00 74.23 H new ATOM 0 HB3 GLU A 72 -4.093 14.432 -32.843 1.00 74.23 H new ATOM 0 HG2 GLU A 72 -6.533 15.001 -31.917 1.00 22.15 H new ATOM 0 HG3 GLU A 72 -6.532 16.135 -33.254 1.00 22.15 H new ATOM 1166 N TYR A 73 -3.242 18.174 -30.998 1.00 54.22 N ATOM 1167 CA TYR A 73 -3.221 19.621 -30.884 1.00 24.23 C ATOM 1168 C TYR A 73 -2.585 20.224 -32.128 1.00 31.43 C ATOM 1169 O TYR A 73 -1.501 19.812 -32.542 1.00 64.12 O ATOM 1170 CB TYR A 73 -2.439 20.034 -29.628 1.00 65.53 C ATOM 1171 CG TYR A 73 -2.551 21.503 -29.267 1.00 10.43 C ATOM 1172 CD1 TYR A 73 -1.647 22.438 -29.761 1.00 21.32 C ATOM 1173 CD2 TYR A 73 -3.556 21.953 -28.417 1.00 53.41 C ATOM 1174 CE1 TYR A 73 -1.745 23.775 -29.422 1.00 63.14 C ATOM 1175 CE2 TYR A 73 -3.658 23.289 -28.073 1.00 32.14 C ATOM 1176 CZ TYR A 73 -2.751 24.194 -28.576 1.00 32.03 C ATOM 1177 OH TYR A 73 -2.850 25.525 -28.235 1.00 11.20 O ATOM 0 H TYR A 73 -2.360 17.722 -30.758 1.00 54.22 H new ATOM 0 HA TYR A 73 -4.242 19.992 -30.796 1.00 24.23 H new ATOM 0 HB2 TYR A 73 -2.791 19.439 -28.785 1.00 65.53 H new ATOM 0 HB3 TYR A 73 -1.387 19.789 -29.774 1.00 65.53 H new ATOM 0 HD1 TYR A 73 -0.855 22.114 -30.420 1.00 21.32 H new ATOM 0 HD2 TYR A 73 -4.269 21.247 -28.019 1.00 53.41 H new ATOM 0 HE1 TYR A 73 -1.037 24.488 -29.818 1.00 63.14 H new ATOM 0 HE2 TYR A 73 -4.446 23.620 -27.413 1.00 32.14 H new ATOM 0 HH TYR A 73 -2.818 25.616 -27.260 1.00 11.20 H new ATOM 1187 N MET A 74 -3.270 21.183 -32.727 1.00 13.21 N ATOM 1188 CA MET A 74 -2.755 21.863 -33.904 1.00 31.14 C ATOM 1189 C MET A 74 -2.201 23.228 -33.520 1.00 64.14 C ATOM 1190 O MET A 74 -2.947 24.141 -33.166 1.00 33.04 O ATOM 1191 CB MET A 74 -3.840 21.991 -34.985 1.00 14.34 C ATOM 1192 CG MET A 74 -5.136 22.627 -34.504 1.00 54.31 C ATOM 1193 SD MET A 74 -6.367 22.761 -35.812 1.00 3.34 S ATOM 1194 CE MET A 74 -7.743 23.470 -34.910 1.00 22.11 C ATOM 0 H MET A 74 -4.186 21.509 -32.417 1.00 13.21 H new ATOM 0 HA MET A 74 -1.944 21.267 -34.322 1.00 31.14 H new ATOM 0 HB2 MET A 74 -3.444 22.582 -35.811 1.00 14.34 H new ATOM 0 HB3 MET A 74 -4.061 20.999 -35.380 1.00 14.34 H new ATOM 0 HG2 MET A 74 -5.545 22.036 -33.684 1.00 54.31 H new ATOM 0 HG3 MET A 74 -4.924 23.619 -34.106 1.00 54.31 H new ATOM 0 HE1 MET A 74 -8.586 23.614 -35.586 1.00 22.11 H new ATOM 0 HE2 MET A 74 -8.035 22.797 -34.104 1.00 22.11 H new ATOM 0 HE3 MET A 74 -7.446 24.431 -34.491 1.00 22.11 H new ATOM 1204 N HIS A 75 -0.885 23.359 -33.571 1.00 70.55 N ATOM 1205 CA HIS A 75 -0.232 24.585 -33.139 1.00 64.13 C ATOM 1206 C HIS A 75 0.124 25.470 -34.328 1.00 55.02 C ATOM 1207 O HIS A 75 0.632 24.996 -35.345 1.00 63.42 O ATOM 1208 CB HIS A 75 1.028 24.278 -32.305 1.00 14.30 C ATOM 1209 CG HIS A 75 2.124 23.564 -33.051 1.00 74.42 C ATOM 1210 ND1 HIS A 75 2.323 22.205 -32.979 1.00 71.23 N ATOM 1211 CD2 HIS A 75 3.094 24.036 -33.871 1.00 22.23 C ATOM 1212 CE1 HIS A 75 3.362 21.873 -33.719 1.00 64.42 C ATOM 1213 NE2 HIS A 75 3.853 22.966 -34.273 1.00 2.53 N ATOM 0 H HIS A 75 -0.250 22.635 -33.906 1.00 70.55 H new ATOM 0 HA HIS A 75 -0.938 25.126 -32.510 1.00 64.13 H new ATOM 0 HB2 HIS A 75 1.425 25.215 -31.915 1.00 14.30 H new ATOM 0 HB3 HIS A 75 0.739 23.672 -31.446 1.00 14.30 H new ATOM 0 HD2 HIS A 75 3.243 25.067 -34.156 1.00 22.23 H new ATOM 0 HE1 HIS A 75 3.748 20.873 -33.850 1.00 64.42 H new ATOM 0 HE2 HIS A 75 4.660 23.008 -34.895 1.00 2.53 H new ATOM 1222 N GLN A 76 -0.178 26.750 -34.210 1.00 42.03 N ATOM 1223 CA GLN A 76 0.264 27.727 -35.188 1.00 12.12 C ATOM 1224 C GLN A 76 1.705 28.113 -34.879 1.00 34.13 C ATOM 1225 O GLN A 76 1.984 28.719 -33.842 1.00 4.10 O ATOM 1226 CB GLN A 76 -0.638 28.971 -35.168 1.00 25.11 C ATOM 1227 CG GLN A 76 -2.097 28.702 -35.524 1.00 73.22 C ATOM 1228 CD GLN A 76 -2.842 27.950 -34.436 1.00 21.41 C ATOM 1229 OE1 GLN A 76 -2.539 28.090 -33.248 1.00 24.20 O ATOM 1230 NE2 GLN A 76 -3.808 27.139 -34.834 1.00 53.42 N ATOM 0 H GLN A 76 -0.729 27.138 -33.444 1.00 42.03 H new ATOM 0 HA GLN A 76 0.203 27.290 -36.185 1.00 12.12 H new ATOM 0 HB2 GLN A 76 -0.596 29.418 -34.175 1.00 25.11 H new ATOM 0 HB3 GLN A 76 -0.237 29.706 -35.866 1.00 25.11 H new ATOM 0 HG2 GLN A 76 -2.600 29.650 -35.713 1.00 73.22 H new ATOM 0 HG3 GLN A 76 -2.140 28.128 -36.450 1.00 73.22 H new ATOM 0 HE21 GLN A 76 -4.025 27.054 -35.827 1.00 53.42 H new ATOM 0 HE22 GLN A 76 -4.336 26.599 -34.148 1.00 53.42 H new ATOM 1239 N CYS A 77 2.614 27.762 -35.774 1.00 32.30 N ATOM 1240 CA CYS A 77 4.033 27.965 -35.530 1.00 61.03 C ATOM 1241 C CYS A 77 4.383 29.441 -35.627 1.00 55.35 C ATOM 1242 O CYS A 77 4.143 30.074 -36.657 1.00 24.42 O ATOM 1243 CB CYS A 77 4.874 27.156 -36.521 1.00 51.20 C ATOM 1244 SG CYS A 77 6.639 27.123 -36.126 1.00 51.44 S ATOM 0 H CYS A 77 2.395 27.336 -36.675 1.00 32.30 H new ATOM 0 HA CYS A 77 4.258 27.617 -34.522 1.00 61.03 H new ATOM 0 HB2 CYS A 77 4.499 26.133 -36.551 1.00 51.20 H new ATOM 0 HB3 CYS A 77 4.743 27.573 -37.520 1.00 51.20 H new ATOM 0 HG CYS A 77 7.270 26.415 -37.015 1.00 51.44 H new ATOM 1250 N GLN A 78 4.922 29.984 -34.534 1.00 21.12 N ATOM 1251 CA GLN A 78 5.345 31.385 -34.478 1.00 0.22 C ATOM 1252 C GLN A 78 4.160 32.328 -34.736 1.00 14.33 C ATOM 1253 O GLN A 78 4.325 33.463 -35.190 1.00 43.41 O ATOM 1254 CB GLN A 78 6.472 31.615 -35.493 1.00 72.00 C ATOM 1255 CG GLN A 78 7.128 32.981 -35.410 1.00 3.23 C ATOM 1256 CD GLN A 78 8.257 33.132 -36.405 1.00 21.54 C ATOM 1257 OE1 GLN A 78 9.415 32.862 -36.090 1.00 53.52 O ATOM 1258 NE2 GLN A 78 7.925 33.548 -37.616 1.00 20.54 N ATOM 0 H GLN A 78 5.077 29.469 -33.667 1.00 21.12 H new ATOM 0 HA GLN A 78 5.720 31.607 -33.479 1.00 0.22 H new ATOM 0 HB2 GLN A 78 7.235 30.851 -35.348 1.00 72.00 H new ATOM 0 HB3 GLN A 78 6.072 31.479 -36.498 1.00 72.00 H new ATOM 0 HG2 GLN A 78 6.380 33.753 -35.591 1.00 3.23 H new ATOM 0 HG3 GLN A 78 7.511 33.138 -34.402 1.00 3.23 H new ATOM 0 HE21 GLN A 78 6.951 33.761 -37.833 1.00 20.54 H new ATOM 0 HE22 GLN A 78 8.643 33.656 -38.333 1.00 20.54 H new ATOM 1267 N GLY A 79 2.958 31.854 -34.438 1.00 34.30 N ATOM 1268 CA GLY A 79 1.770 32.661 -34.641 1.00 23.44 C ATOM 1269 C GLY A 79 1.190 32.487 -36.030 1.00 42.40 C ATOM 1270 O GLY A 79 -0.007 32.691 -36.244 1.00 21.13 O ATOM 0 H GLY A 79 2.784 30.923 -34.059 1.00 34.30 H new ATOM 0 HA2 GLY A 79 1.019 32.391 -33.899 1.00 23.44 H new ATOM 0 HA3 GLY A 79 2.014 33.711 -34.480 1.00 23.44 H new ATOM 1274 N THR A 80 2.045 32.107 -36.972 1.00 33.44 N ATOM 1275 CA THR A 80 1.632 31.863 -38.341 1.00 2.04 C ATOM 1276 C THR A 80 0.676 30.675 -38.390 1.00 13.20 C ATOM 1277 O THR A 80 0.910 29.655 -37.734 1.00 62.51 O ATOM 1278 CB THR A 80 2.863 31.600 -39.231 1.00 53.25 C ATOM 1279 OG1 THR A 80 3.800 32.675 -39.076 1.00 43.22 O ATOM 1280 CG2 THR A 80 2.476 31.472 -40.697 1.00 21.14 C ATOM 0 H THR A 80 3.041 31.961 -36.805 1.00 33.44 H new ATOM 0 HA THR A 80 1.116 32.746 -38.719 1.00 2.04 H new ATOM 0 HB THR A 80 3.313 30.658 -38.918 1.00 53.25 H new ATOM 0 HG1 THR A 80 4.584 32.509 -39.640 1.00 43.22 H new ATOM 0 HG21 THR A 80 3.369 31.287 -41.294 1.00 21.14 H new ATOM 0 HG22 THR A 80 1.780 30.642 -40.818 1.00 21.14 H new ATOM 0 HG23 THR A 80 2.002 32.395 -41.030 1.00 21.14 H new ATOM 1288 N SER A 81 -0.407 30.815 -39.147 1.00 0.44 N ATOM 1289 CA SER A 81 -1.460 29.811 -39.177 1.00 63.12 C ATOM 1290 C SER A 81 -1.014 28.553 -39.919 1.00 50.14 C ATOM 1291 O SER A 81 -1.435 28.289 -41.045 1.00 44.02 O ATOM 1292 CB SER A 81 -2.726 30.385 -39.812 1.00 60.35 C ATOM 1293 OG SER A 81 -3.818 29.494 -39.669 1.00 75.20 O ATOM 0 H SER A 81 -0.577 31.619 -39.751 1.00 0.44 H new ATOM 0 HA SER A 81 -1.679 29.528 -38.147 1.00 63.12 H new ATOM 0 HB2 SER A 81 -2.969 31.340 -39.347 1.00 60.35 H new ATOM 0 HB3 SER A 81 -2.549 30.581 -40.869 1.00 60.35 H new ATOM 0 HG SER A 81 -4.616 29.885 -40.082 1.00 75.20 H new ATOM 1299 N GLU A 82 -0.122 27.809 -39.290 1.00 61.34 N ATOM 1300 CA GLU A 82 0.291 26.514 -39.792 1.00 22.12 C ATOM 1301 C GLU A 82 -0.668 25.455 -39.280 1.00 11.01 C ATOM 1302 O GLU A 82 -1.042 24.530 -40.006 1.00 4.54 O ATOM 1303 CB GLU A 82 1.712 26.196 -39.326 1.00 24.05 C ATOM 1304 CG GLU A 82 2.744 27.222 -39.762 1.00 55.53 C ATOM 1305 CD GLU A 82 2.980 27.211 -41.256 1.00 60.13 C ATOM 1306 OE1 GLU A 82 2.223 27.875 -41.993 1.00 74.34 O ATOM 1307 OE2 GLU A 82 3.934 26.540 -41.702 1.00 32.15 O ATOM 0 H GLU A 82 0.334 28.085 -38.420 1.00 61.34 H new ATOM 0 HA GLU A 82 0.277 26.527 -40.882 1.00 22.12 H new ATOM 0 HB2 GLU A 82 1.720 26.125 -38.238 1.00 24.05 H new ATOM 0 HB3 GLU A 82 2.000 25.218 -39.711 1.00 24.05 H new ATOM 0 HG2 GLU A 82 2.415 28.215 -39.457 1.00 55.53 H new ATOM 0 HG3 GLU A 82 3.685 27.027 -39.248 1.00 55.53 H new ATOM 1314 N SER A 83 -1.070 25.625 -38.019 1.00 22.13 N ATOM 1315 CA SER A 83 -1.958 24.692 -37.340 1.00 45.45 C ATOM 1316 C SER A 83 -1.460 23.262 -37.498 1.00 3.24 C ATOM 1317 O SER A 83 -2.216 22.357 -37.851 1.00 32.13 O ATOM 1318 CB SER A 83 -3.384 24.840 -37.869 1.00 30.12 C ATOM 1319 OG SER A 83 -3.850 26.168 -37.686 1.00 13.11 O ATOM 0 H SER A 83 -0.786 26.417 -37.442 1.00 22.13 H new ATOM 0 HA SER A 83 -1.962 24.926 -36.275 1.00 45.45 H new ATOM 0 HB2 SER A 83 -3.414 24.581 -38.927 1.00 30.12 H new ATOM 0 HB3 SER A 83 -4.044 24.143 -37.352 1.00 30.12 H new ATOM 0 HG SER A 83 -4.764 26.245 -38.032 1.00 13.11 H new ATOM 1325 N SER A 84 -0.174 23.077 -37.241 1.00 75.21 N ATOM 1326 CA SER A 84 0.447 21.772 -37.322 1.00 60.42 C ATOM 1327 C SER A 84 -0.127 20.860 -36.248 1.00 23.41 C ATOM 1328 O SER A 84 0.160 21.029 -35.060 1.00 1.03 O ATOM 1329 CB SER A 84 1.954 21.920 -37.145 1.00 4.23 C ATOM 1330 OG SER A 84 2.447 22.979 -37.948 1.00 3.21 O ATOM 0 H SER A 84 0.463 23.827 -36.972 1.00 75.21 H new ATOM 0 HA SER A 84 0.245 21.329 -38.297 1.00 60.42 H new ATOM 0 HB2 SER A 84 2.186 22.112 -36.097 1.00 4.23 H new ATOM 0 HB3 SER A 84 2.451 20.989 -37.416 1.00 4.23 H new ATOM 0 HG SER A 84 3.415 23.062 -37.822 1.00 3.21 H new ATOM 1336 N LYS A 85 -0.963 19.923 -36.663 1.00 65.24 N ATOM 1337 CA LYS A 85 -1.626 19.036 -35.730 1.00 62.43 C ATOM 1338 C LYS A 85 -0.745 17.836 -35.423 1.00 53.11 C ATOM 1339 O LYS A 85 -0.194 17.209 -36.329 1.00 31.25 O ATOM 1340 CB LYS A 85 -2.972 18.565 -36.290 1.00 42.44 C ATOM 1341 CG LYS A 85 -3.791 17.768 -35.290 1.00 23.33 C ATOM 1342 CD LYS A 85 -5.079 17.231 -35.892 1.00 20.21 C ATOM 1343 CE LYS A 85 -4.811 16.200 -36.977 1.00 64.40 C ATOM 1344 NZ LYS A 85 -6.041 15.448 -37.335 1.00 4.30 N ATOM 0 H LYS A 85 -1.197 19.759 -37.642 1.00 65.24 H new ATOM 0 HA LYS A 85 -1.807 19.589 -34.808 1.00 62.43 H new ATOM 0 HB2 LYS A 85 -3.548 19.433 -36.612 1.00 42.44 H new ATOM 0 HB3 LYS A 85 -2.796 17.953 -37.175 1.00 42.44 H new ATOM 0 HG2 LYS A 85 -3.194 16.936 -34.916 1.00 23.33 H new ATOM 0 HG3 LYS A 85 -4.029 18.400 -34.434 1.00 23.33 H new ATOM 0 HD2 LYS A 85 -5.687 16.782 -35.107 1.00 20.21 H new ATOM 0 HD3 LYS A 85 -5.656 18.056 -36.310 1.00 20.21 H new ATOM 0 HE2 LYS A 85 -4.418 16.698 -37.863 1.00 64.40 H new ATOM 0 HE3 LYS A 85 -4.045 15.504 -36.636 1.00 64.40 H new ATOM 0 HZ1 LYS A 85 -5.785 14.608 -37.892 1.00 4.30 H new ATOM 0 HZ2 LYS A 85 -6.532 15.152 -36.467 1.00 4.30 H new ATOM 0 HZ3 LYS A 85 -6.669 16.057 -37.897 1.00 4.30 H new ATOM 1358 N LYS A 86 -0.598 17.548 -34.145 1.00 12.24 N ATOM 1359 CA LYS A 86 0.136 16.381 -33.688 1.00 32.34 C ATOM 1360 C LYS A 86 -0.644 15.705 -32.579 1.00 71.33 C ATOM 1361 O LYS A 86 -1.161 16.378 -31.686 1.00 3.41 O ATOM 1362 CB LYS A 86 1.520 16.784 -33.169 1.00 31.22 C ATOM 1363 CG LYS A 86 2.506 17.204 -34.251 1.00 60.01 C ATOM 1364 CD LYS A 86 3.325 16.025 -34.768 1.00 72.32 C ATOM 1365 CE LYS A 86 2.501 15.063 -35.614 1.00 11.40 C ATOM 1366 NZ LYS A 86 2.002 15.701 -36.860 1.00 55.32 N ATOM 0 H LYS A 86 -0.984 18.117 -33.391 1.00 12.24 H new ATOM 0 HA LYS A 86 0.265 15.695 -34.525 1.00 32.34 H new ATOM 0 HB2 LYS A 86 1.403 17.606 -32.463 1.00 31.22 H new ATOM 0 HB3 LYS A 86 1.944 15.946 -32.615 1.00 31.22 H new ATOM 0 HG2 LYS A 86 1.963 17.659 -35.079 1.00 60.01 H new ATOM 0 HG3 LYS A 86 3.177 17.965 -33.854 1.00 60.01 H new ATOM 0 HD2 LYS A 86 4.160 16.400 -35.360 1.00 72.32 H new ATOM 0 HD3 LYS A 86 3.751 15.485 -33.922 1.00 72.32 H new ATOM 0 HE2 LYS A 86 3.108 14.195 -35.870 1.00 11.40 H new ATOM 0 HE3 LYS A 86 1.656 14.700 -35.030 1.00 11.40 H new ATOM 0 HZ1 LYS A 86 2.056 15.020 -37.644 1.00 55.32 H new ATOM 0 HZ2 LYS A 86 1.014 15.998 -36.726 1.00 55.32 H new ATOM 0 HZ3 LYS A 86 2.586 16.532 -37.082 1.00 55.32 H new ATOM 1380 N GLN A 87 -0.739 14.386 -32.629 1.00 75.52 N ATOM 1381 CA GLN A 87 -1.402 13.654 -31.569 1.00 74.23 C ATOM 1382 C GLN A 87 -0.467 13.586 -30.372 1.00 22.01 C ATOM 1383 O GLN A 87 0.632 13.030 -30.441 1.00 13.30 O ATOM 1384 CB GLN A 87 -1.849 12.246 -32.021 1.00 21.12 C ATOM 1385 CG GLN A 87 -0.726 11.238 -32.262 1.00 40.13 C ATOM 1386 CD GLN A 87 -0.093 11.337 -33.639 1.00 43.24 C ATOM 1387 OE1 GLN A 87 -0.040 12.405 -34.247 1.00 75.12 O ATOM 1388 NE2 GLN A 87 0.387 10.212 -34.142 1.00 41.14 N ATOM 0 H GLN A 87 -0.369 13.808 -33.384 1.00 75.52 H new ATOM 0 HA GLN A 87 -2.316 14.180 -31.293 1.00 74.23 H new ATOM 0 HB2 GLN A 87 -2.521 11.839 -31.266 1.00 21.12 H new ATOM 0 HB3 GLN A 87 -2.426 12.346 -32.941 1.00 21.12 H new ATOM 0 HG2 GLN A 87 0.047 11.383 -31.507 1.00 40.13 H new ATOM 0 HG3 GLN A 87 -1.120 10.231 -32.126 1.00 40.13 H new ATOM 0 HE21 GLN A 87 0.324 9.346 -33.606 1.00 41.14 H new ATOM 0 HE22 GLN A 87 0.820 10.210 -35.065 1.00 41.14 H new ATOM 1397 N LYS A 88 -0.871 14.216 -29.288 1.00 42.10 N ATOM 1398 CA LYS A 88 -0.019 14.303 -28.129 1.00 11.13 C ATOM 1399 C LYS A 88 -0.619 13.526 -26.976 1.00 21.53 C ATOM 1400 O LYS A 88 -1.754 13.773 -26.568 1.00 44.43 O ATOM 1401 CB LYS A 88 0.188 15.762 -27.725 1.00 73.34 C ATOM 1402 CG LYS A 88 0.611 16.667 -28.870 1.00 70.14 C ATOM 1403 CD LYS A 88 0.895 18.078 -28.381 1.00 22.30 C ATOM 1404 CE LYS A 88 2.213 18.154 -27.627 1.00 43.42 C ATOM 1405 NZ LYS A 88 3.377 17.964 -28.535 1.00 42.45 N ATOM 0 H LYS A 88 -1.778 14.671 -29.189 1.00 42.10 H new ATOM 0 HA LYS A 88 0.949 13.870 -28.381 1.00 11.13 H new ATOM 0 HB2 LYS A 88 -0.738 16.144 -27.297 1.00 73.34 H new ATOM 0 HB3 LYS A 88 0.944 15.807 -26.941 1.00 73.34 H new ATOM 0 HG2 LYS A 88 1.501 16.259 -29.349 1.00 70.14 H new ATOM 0 HG3 LYS A 88 -0.174 16.693 -29.626 1.00 70.14 H new ATOM 0 HD2 LYS A 88 0.922 18.760 -29.231 1.00 22.30 H new ATOM 0 HD3 LYS A 88 0.084 18.409 -27.732 1.00 22.30 H new ATOM 0 HE2 LYS A 88 2.293 19.121 -27.130 1.00 43.42 H new ATOM 0 HE3 LYS A 88 2.231 17.392 -26.848 1.00 43.42 H new ATOM 0 HZ1 LYS A 88 4.252 18.221 -28.036 1.00 42.45 H new ATOM 0 HZ2 LYS A 88 3.427 16.968 -28.832 1.00 42.45 H new ATOM 0 HZ3 LYS A 88 3.266 18.570 -29.373 1.00 42.45 H new ATOM 1419 N LEU A 89 0.155 12.600 -26.446 1.00 72.44 N ATOM 1420 CA LEU A 89 -0.283 11.814 -25.315 1.00 53.22 C ATOM 1421 C LEU A 89 0.284 12.401 -24.039 1.00 43.45 C ATOM 1422 O LEU A 89 1.486 12.670 -23.943 1.00 0.42 O ATOM 1423 CB LEU A 89 0.141 10.345 -25.433 1.00 2.42 C ATOM 1424 CG LEU A 89 -0.429 9.560 -26.624 1.00 62.31 C ATOM 1425 CD1 LEU A 89 0.227 9.976 -27.935 1.00 54.44 C ATOM 1426 CD2 LEU A 89 -0.250 8.069 -26.396 1.00 60.55 C ATOM 0 H LEU A 89 1.091 12.375 -26.782 1.00 72.44 H new ATOM 0 HA LEU A 89 -1.372 11.844 -25.295 1.00 53.22 H new ATOM 0 HB2 LEU A 89 1.229 10.308 -25.489 1.00 2.42 H new ATOM 0 HB3 LEU A 89 -0.149 9.832 -24.516 1.00 2.42 H new ATOM 0 HG LEU A 89 -1.492 9.788 -26.699 1.00 62.31 H new ATOM 0 HD11 LEU A 89 -0.201 9.400 -28.755 1.00 54.44 H new ATOM 0 HD12 LEU A 89 0.053 11.038 -28.108 1.00 54.44 H new ATOM 0 HD13 LEU A 89 1.299 9.788 -27.881 1.00 54.44 H new ATOM 0 HD21 LEU A 89 -0.657 7.520 -27.245 1.00 60.55 H new ATOM 0 HD22 LEU A 89 0.811 7.842 -26.291 1.00 60.55 H new ATOM 0 HD23 LEU A 89 -0.775 7.774 -25.488 1.00 60.55 H new ATOM 1438 N PHE A 90 -0.581 12.604 -23.071 1.00 10.23 N ATOM 1439 CA PHE A 90 -0.184 13.140 -21.790 1.00 40.42 C ATOM 1440 C PHE A 90 -0.639 12.212 -20.684 1.00 24.31 C ATOM 1441 O PHE A 90 -1.778 11.748 -20.678 1.00 25.44 O ATOM 1442 CB PHE A 90 -0.798 14.519 -21.572 1.00 34.22 C ATOM 1443 CG PHE A 90 -0.539 15.479 -22.695 1.00 33.23 C ATOM 1444 CD1 PHE A 90 0.668 16.144 -22.786 1.00 30.44 C ATOM 1445 CD2 PHE A 90 -1.501 15.706 -23.662 1.00 14.50 C ATOM 1446 CE1 PHE A 90 0.913 17.023 -23.820 1.00 41.03 C ATOM 1447 CE2 PHE A 90 -1.262 16.583 -24.698 1.00 61.54 C ATOM 1448 CZ PHE A 90 -0.053 17.242 -24.778 1.00 65.14 C ATOM 0 H PHE A 90 -1.578 12.402 -23.150 1.00 10.23 H new ATOM 0 HA PHE A 90 0.902 13.229 -21.775 1.00 40.42 H new ATOM 0 HB2 PHE A 90 -1.874 14.411 -21.439 1.00 34.22 H new ATOM 0 HB3 PHE A 90 -0.404 14.940 -20.647 1.00 34.22 H new ATOM 0 HD1 PHE A 90 1.429 15.974 -22.039 1.00 30.44 H new ATOM 0 HD2 PHE A 90 -2.449 15.191 -23.605 1.00 14.50 H new ATOM 0 HE1 PHE A 90 1.860 17.539 -23.879 1.00 41.03 H new ATOM 0 HE2 PHE A 90 -2.021 16.754 -25.447 1.00 61.54 H new ATOM 0 HZ PHE A 90 0.136 17.928 -25.590 1.00 65.14 H new ATOM 1458 N LEU A 91 0.254 11.939 -19.764 1.00 61.24 N ATOM 1459 CA LEU A 91 -0.079 11.167 -18.592 1.00 34.20 C ATOM 1460 C LEU A 91 -0.294 12.125 -17.442 1.00 50.12 C ATOM 1461 O LEU A 91 0.618 12.858 -17.061 1.00 61.15 O ATOM 1462 CB LEU A 91 1.043 10.185 -18.260 1.00 74.02 C ATOM 1463 CG LEU A 91 0.780 9.286 -17.052 1.00 74.12 C ATOM 1464 CD1 LEU A 91 -0.410 8.374 -17.313 1.00 73.40 C ATOM 1465 CD2 LEU A 91 2.020 8.473 -16.717 1.00 34.21 C ATOM 0 H LEU A 91 1.227 12.244 -19.806 1.00 61.24 H new ATOM 0 HA LEU A 91 -0.985 10.588 -18.774 1.00 34.20 H new ATOM 0 HB2 LEU A 91 1.223 9.554 -19.131 1.00 74.02 H new ATOM 0 HB3 LEU A 91 1.958 10.750 -18.081 1.00 74.02 H new ATOM 0 HG LEU A 91 0.542 9.917 -16.195 1.00 74.12 H new ATOM 0 HD11 LEU A 91 -0.582 7.742 -16.442 1.00 73.40 H new ATOM 0 HD12 LEU A 91 -1.297 8.978 -17.503 1.00 73.40 H new ATOM 0 HD13 LEU A 91 -0.205 7.748 -18.181 1.00 73.40 H new ATOM 0 HD21 LEU A 91 1.817 7.838 -15.855 1.00 34.21 H new ATOM 0 HD22 LEU A 91 2.289 7.851 -17.571 1.00 34.21 H new ATOM 0 HD23 LEU A 91 2.845 9.147 -16.485 1.00 34.21 H new ATOM 1477 N MET A 92 -1.498 12.141 -16.913 1.00 12.22 N ATOM 1478 CA MET A 92 -1.828 13.055 -15.843 1.00 70.42 C ATOM 1479 C MET A 92 -2.380 12.305 -14.648 1.00 74.52 C ATOM 1480 O MET A 92 -3.479 11.746 -14.684 1.00 13.12 O ATOM 1481 CB MET A 92 -2.786 14.148 -16.330 1.00 64.41 C ATOM 1482 CG MET A 92 -3.918 13.642 -17.207 1.00 74.13 C ATOM 1483 SD MET A 92 -4.833 14.984 -17.993 1.00 11.30 S ATOM 1484 CE MET A 92 -5.577 15.768 -16.564 1.00 1.21 C ATOM 0 H MET A 92 -2.263 11.533 -17.206 1.00 12.22 H new ATOM 0 HA MET A 92 -0.914 13.553 -15.520 1.00 70.42 H new ATOM 0 HB2 MET A 92 -3.212 14.654 -15.464 1.00 64.41 H new ATOM 0 HB3 MET A 92 -2.216 14.893 -16.886 1.00 64.41 H new ATOM 0 HG2 MET A 92 -3.512 12.984 -17.975 1.00 74.13 H new ATOM 0 HG3 MET A 92 -4.602 13.044 -16.604 1.00 74.13 H new ATOM 0 HE1 MET A 92 -6.247 16.563 -16.893 1.00 1.21 H new ATOM 0 HE2 MET A 92 -6.142 15.029 -15.997 1.00 1.21 H new ATOM 0 HE3 MET A 92 -4.795 16.190 -15.932 1.00 1.21 H new ATOM 1494 N SER A 93 -1.582 12.279 -13.597 1.00 3.13 N ATOM 1495 CA SER A 93 -1.921 11.552 -12.394 1.00 52.11 C ATOM 1496 C SER A 93 -2.716 12.418 -11.436 1.00 62.23 C ATOM 1497 O SER A 93 -2.158 13.255 -10.736 1.00 25.33 O ATOM 1498 CB SER A 93 -0.650 11.043 -11.727 1.00 30.43 C ATOM 1499 OG SER A 93 0.117 10.282 -12.640 1.00 5.53 O ATOM 0 H SER A 93 -0.684 12.761 -13.556 1.00 3.13 H new ATOM 0 HA SER A 93 -2.547 10.702 -12.667 1.00 52.11 H new ATOM 0 HB2 SER A 93 -0.062 11.885 -11.362 1.00 30.43 H new ATOM 0 HB3 SER A 93 -0.906 10.433 -10.861 1.00 30.43 H new ATOM 0 HG SER A 93 1.062 10.315 -12.381 1.00 5.53 H new ATOM 1505 N TRP A 94 -4.020 12.219 -11.409 1.00 74.02 N ATOM 1506 CA TRP A 94 -4.874 12.964 -10.506 1.00 22.00 C ATOM 1507 C TRP A 94 -4.812 12.362 -9.117 1.00 1.13 C ATOM 1508 O TRP A 94 -5.263 11.237 -8.898 1.00 21.41 O ATOM 1509 CB TRP A 94 -6.318 12.952 -10.993 1.00 32.14 C ATOM 1510 CG TRP A 94 -6.770 14.217 -11.642 1.00 75.40 C ATOM 1511 CD1 TRP A 94 -6.460 14.658 -12.893 1.00 64.42 C ATOM 1512 CD2 TRP A 94 -7.647 15.193 -11.074 1.00 20.23 C ATOM 1513 NE1 TRP A 94 -7.088 15.855 -13.135 1.00 75.40 N ATOM 1514 CE2 TRP A 94 -7.822 16.204 -12.032 1.00 33.43 C ATOM 1515 CE3 TRP A 94 -8.300 15.311 -9.843 1.00 44.51 C ATOM 1516 CZ2 TRP A 94 -8.627 17.317 -11.799 1.00 43.44 C ATOM 1517 CZ3 TRP A 94 -9.097 16.414 -9.614 1.00 35.43 C ATOM 1518 CH2 TRP A 94 -9.253 17.405 -10.588 1.00 54.55 C ATOM 0 H TRP A 94 -4.510 11.549 -12.001 1.00 74.02 H new ATOM 0 HA TRP A 94 -4.519 13.994 -10.477 1.00 22.00 H new ATOM 0 HB2 TRP A 94 -6.441 12.133 -11.701 1.00 32.14 H new ATOM 0 HB3 TRP A 94 -6.971 12.741 -10.146 1.00 32.14 H new ATOM 0 HD1 TRP A 94 -5.816 14.143 -13.591 1.00 64.42 H new ATOM 0 HE1 TRP A 94 -7.019 16.397 -13.997 1.00 75.40 H new ATOM 0 HE3 TRP A 94 -8.182 14.552 -9.084 1.00 44.51 H new ATOM 0 HZ2 TRP A 94 -8.752 18.083 -12.550 1.00 43.44 H new ATOM 0 HZ3 TRP A 94 -9.608 16.513 -8.668 1.00 35.43 H new ATOM 0 HH2 TRP A 94 -9.882 18.258 -10.379 1.00 54.55 H new ATOM 1529 N CYS A 95 -4.226 13.106 -8.200 1.00 5.34 N ATOM 1530 CA CYS A 95 -4.163 12.714 -6.804 1.00 25.45 C ATOM 1531 C CYS A 95 -3.527 13.826 -5.991 1.00 15.43 C ATOM 1532 O CYS A 95 -2.394 14.237 -6.255 1.00 14.24 O ATOM 1533 CB CYS A 95 -3.381 11.409 -6.618 1.00 13.04 C ATOM 1534 SG CYS A 95 -3.101 10.954 -4.890 1.00 4.42 S ATOM 0 H CYS A 95 -3.779 14.001 -8.401 1.00 5.34 H new ATOM 0 HA CYS A 95 -5.181 12.540 -6.454 1.00 25.45 H new ATOM 0 HB2 CYS A 95 -3.921 10.601 -7.112 1.00 13.04 H new ATOM 0 HB3 CYS A 95 -2.417 11.501 -7.119 1.00 13.04 H new ATOM 0 HG CYS A 95 -2.838 12.022 -4.197 1.00 4.42 H new ATOM 1540 N PRO A 96 -4.271 14.353 -5.014 1.00 64.51 N ATOM 1541 CA PRO A 96 -3.764 15.369 -4.093 1.00 30.21 C ATOM 1542 C PRO A 96 -2.522 14.877 -3.356 1.00 65.14 C ATOM 1543 O PRO A 96 -2.452 13.717 -2.945 1.00 65.34 O ATOM 1544 CB PRO A 96 -4.932 15.582 -3.121 1.00 43.25 C ATOM 1545 CG PRO A 96 -6.136 15.143 -3.874 1.00 44.32 C ATOM 1546 CD PRO A 96 -5.676 14.010 -4.739 1.00 3.15 C ATOM 0 HA PRO A 96 -3.458 16.284 -4.600 1.00 30.21 H new ATOM 0 HB2 PRO A 96 -4.800 14.998 -2.210 1.00 43.25 H new ATOM 0 HB3 PRO A 96 -5.012 16.627 -2.821 1.00 43.25 H new ATOM 0 HG2 PRO A 96 -6.928 14.823 -3.196 1.00 44.32 H new ATOM 0 HG3 PRO A 96 -6.541 15.957 -4.476 1.00 44.32 H new ATOM 0 HD2 PRO A 96 -5.765 13.051 -4.229 1.00 3.15 H new ATOM 0 HD3 PRO A 96 -6.261 13.939 -5.656 1.00 3.15 H new ATOM 1554 N ASP A 97 -1.538 15.748 -3.200 1.00 13.41 N ATOM 1555 CA ASP A 97 -0.297 15.378 -2.535 1.00 1.14 C ATOM 1556 C ASP A 97 -0.494 15.420 -1.025 1.00 33.22 C ATOM 1557 O ASP A 97 0.246 14.807 -0.266 1.00 70.11 O ATOM 1558 CB ASP A 97 0.836 16.321 -2.949 1.00 14.43 C ATOM 1559 CG ASP A 97 2.209 15.749 -2.655 1.00 22.40 C ATOM 1560 OD1 ASP A 97 2.642 15.783 -1.486 1.00 12.30 O ATOM 1561 OD2 ASP A 97 2.867 15.260 -3.599 1.00 30.51 O ATOM 0 H ASP A 97 -1.573 16.715 -3.524 1.00 13.41 H new ATOM 0 HA ASP A 97 -0.024 14.366 -2.833 1.00 1.14 H new ATOM 0 HB2 ASP A 97 0.756 16.533 -4.015 1.00 14.43 H new ATOM 0 HB3 ASP A 97 0.723 17.270 -2.426 1.00 14.43 H new ATOM 1566 N THR A 98 -1.519 16.136 -0.603 1.00 31.34 N ATOM 1567 CA THR A 98 -1.861 16.247 0.806 1.00 31.13 C ATOM 1568 C THR A 98 -2.845 15.143 1.208 1.00 1.33 C ATOM 1569 O THR A 98 -3.478 15.205 2.265 1.00 72.01 O ATOM 1570 CB THR A 98 -2.492 17.623 1.083 1.00 21.54 C ATOM 1571 OG1 THR A 98 -1.870 18.606 0.247 1.00 72.50 O ATOM 1572 CG2 THR A 98 -2.324 18.025 2.541 1.00 62.11 C ATOM 0 H THR A 98 -2.138 16.657 -1.224 1.00 31.34 H new ATOM 0 HA THR A 98 -0.949 16.138 1.394 1.00 31.13 H new ATOM 0 HB THR A 98 -3.558 17.560 0.866 1.00 21.54 H new ATOM 0 HG1 THR A 98 -2.271 19.483 0.420 1.00 72.50 H new ATOM 0 HG21 THR A 98 -2.780 19.001 2.704 1.00 62.11 H new ATOM 0 HG22 THR A 98 -2.808 17.287 3.180 1.00 62.11 H new ATOM 0 HG23 THR A 98 -1.263 18.075 2.785 1.00 62.11 H new ATOM 1580 N ALA A 99 -2.947 14.113 0.373 1.00 3.43 N ATOM 1581 CA ALA A 99 -3.996 13.115 0.520 1.00 21.35 C ATOM 1582 C ALA A 99 -3.592 11.998 1.474 1.00 74.42 C ATOM 1583 O ALA A 99 -2.631 12.130 2.236 1.00 60.54 O ATOM 1584 CB ALA A 99 -4.365 12.543 -0.839 1.00 25.20 C ATOM 0 H ALA A 99 -2.315 13.950 -0.411 1.00 3.43 H new ATOM 0 HA ALA A 99 -4.865 13.611 0.952 1.00 21.35 H new ATOM 0 HB1 ALA A 99 -5.151 11.797 -0.719 1.00 25.20 H new ATOM 0 HB2 ALA A 99 -4.721 13.344 -1.486 1.00 25.20 H new ATOM 0 HB3 ALA A 99 -3.488 12.077 -1.288 1.00 25.20 H new ATOM 1590 N LYS A 100 -4.358 10.911 1.430 1.00 54.45 N ATOM 1591 CA LYS A 100 -4.121 9.738 2.261 1.00 30.03 C ATOM 1592 C LYS A 100 -2.677 9.250 2.112 1.00 74.52 C ATOM 1593 O LYS A 100 -2.259 8.816 1.036 1.00 62.50 O ATOM 1594 CB LYS A 100 -5.130 8.652 1.870 1.00 30.31 C ATOM 1595 CG LYS A 100 -5.057 7.383 2.698 1.00 65.23 C ATOM 1596 CD LYS A 100 -6.356 6.590 2.610 1.00 65.00 C ATOM 1597 CE LYS A 100 -6.741 6.285 1.171 1.00 13.33 C ATOM 1598 NZ LYS A 100 -8.060 5.604 1.077 1.00 14.24 N ATOM 0 H LYS A 100 -5.165 10.821 0.813 1.00 54.45 H new ATOM 0 HA LYS A 100 -4.260 9.991 3.312 1.00 30.03 H new ATOM 0 HB2 LYS A 100 -6.136 9.065 1.952 1.00 30.31 H new ATOM 0 HB3 LYS A 100 -4.976 8.394 0.822 1.00 30.31 H new ATOM 0 HG2 LYS A 100 -4.228 6.767 2.351 1.00 65.23 H new ATOM 0 HG3 LYS A 100 -4.852 7.636 3.738 1.00 65.23 H new ATOM 0 HD2 LYS A 100 -6.249 5.656 3.162 1.00 65.00 H new ATOM 0 HD3 LYS A 100 -7.158 7.153 3.088 1.00 65.00 H new ATOM 0 HE2 LYS A 100 -6.771 7.213 0.600 1.00 13.33 H new ATOM 0 HE3 LYS A 100 -5.975 5.656 0.717 1.00 13.33 H new ATOM 0 HZ1 LYS A 100 -8.494 5.814 0.156 1.00 14.24 H new ATOM 0 HZ2 LYS A 100 -7.928 4.577 1.172 1.00 14.24 H new ATOM 0 HZ3 LYS A 100 -8.682 5.945 1.838 1.00 14.24 H new ATOM 1612 N VAL A 101 -1.926 9.327 3.210 1.00 1.23 N ATOM 1613 CA VAL A 101 -0.482 9.092 3.193 1.00 32.32 C ATOM 1614 C VAL A 101 -0.112 7.683 2.735 1.00 44.40 C ATOM 1615 O VAL A 101 0.938 7.484 2.126 1.00 71.42 O ATOM 1616 CB VAL A 101 0.160 9.365 4.571 1.00 64.13 C ATOM 1617 CG1 VAL A 101 0.143 10.852 4.884 1.00 3.43 C ATOM 1618 CG2 VAL A 101 -0.544 8.581 5.667 1.00 32.32 C ATOM 0 H VAL A 101 -2.299 9.553 4.132 1.00 1.23 H new ATOM 0 HA VAL A 101 -0.085 9.798 2.464 1.00 32.32 H new ATOM 0 HB VAL A 101 1.197 9.032 4.531 1.00 64.13 H new ATOM 0 HG11 VAL A 101 0.600 11.024 5.859 1.00 3.43 H new ATOM 0 HG12 VAL A 101 0.704 11.391 4.120 1.00 3.43 H new ATOM 0 HG13 VAL A 101 -0.887 11.209 4.898 1.00 3.43 H new ATOM 0 HG21 VAL A 101 -0.071 8.792 6.626 1.00 32.32 H new ATOM 0 HG22 VAL A 101 -1.593 8.874 5.707 1.00 32.32 H new ATOM 0 HG23 VAL A 101 -0.473 7.514 5.454 1.00 32.32 H new ATOM 1628 N LYS A 102 -0.955 6.704 3.022 1.00 53.35 N ATOM 1629 CA LYS A 102 -0.679 5.340 2.587 1.00 10.40 C ATOM 1630 C LYS A 102 -1.071 5.133 1.128 1.00 22.14 C ATOM 1631 O LYS A 102 -0.614 4.190 0.484 1.00 55.24 O ATOM 1632 CB LYS A 102 -1.391 4.322 3.482 1.00 1.44 C ATOM 1633 CG LYS A 102 -0.783 4.217 4.873 1.00 44.14 C ATOM 1634 CD LYS A 102 -1.424 3.103 5.687 1.00 31.01 C ATOM 1635 CE LYS A 102 -0.747 2.939 7.039 1.00 52.11 C ATOM 1636 NZ LYS A 102 0.688 2.567 6.905 1.00 2.42 N ATOM 0 H LYS A 102 -1.823 6.822 3.545 1.00 53.35 H new ATOM 0 HA LYS A 102 0.396 5.181 2.674 1.00 10.40 H new ATOM 0 HB2 LYS A 102 -2.441 4.599 3.572 1.00 1.44 H new ATOM 0 HB3 LYS A 102 -1.359 3.343 3.004 1.00 1.44 H new ATOM 0 HG2 LYS A 102 0.288 4.035 4.789 1.00 44.14 H new ATOM 0 HG3 LYS A 102 -0.905 5.166 5.396 1.00 44.14 H new ATOM 0 HD2 LYS A 102 -2.482 3.320 5.833 1.00 31.01 H new ATOM 0 HD3 LYS A 102 -1.364 2.166 5.133 1.00 31.01 H new ATOM 0 HE2 LYS A 102 -0.829 3.870 7.600 1.00 52.11 H new ATOM 0 HE3 LYS A 102 -1.267 2.173 7.614 1.00 52.11 H new ATOM 0 HZ1 LYS A 102 1.034 2.189 7.810 1.00 2.42 H new ATOM 0 HZ2 LYS A 102 0.791 1.844 6.165 1.00 2.42 H new ATOM 0 HZ3 LYS A 102 1.242 3.408 6.647 1.00 2.42 H new ATOM 1650 N LYS A 103 -1.897 6.028 0.594 1.00 64.45 N ATOM 1651 CA LYS A 103 -2.335 5.901 -0.787 1.00 63.24 C ATOM 1652 C LYS A 103 -1.339 6.543 -1.745 1.00 43.22 C ATOM 1653 O LYS A 103 -1.129 6.042 -2.845 1.00 3.04 O ATOM 1654 CB LYS A 103 -3.737 6.482 -0.996 1.00 31.31 C ATOM 1655 CG LYS A 103 -4.191 6.435 -2.451 1.00 14.22 C ATOM 1656 CD LYS A 103 -5.664 6.086 -2.587 1.00 11.45 C ATOM 1657 CE LYS A 103 -5.947 4.668 -2.117 1.00 32.14 C ATOM 1658 NZ LYS A 103 -7.373 4.287 -2.303 1.00 3.43 N ATOM 0 H LYS A 103 -2.271 6.837 1.090 1.00 64.45 H new ATOM 0 HA LYS A 103 -2.383 4.835 -1.008 1.00 63.24 H new ATOM 0 HB2 LYS A 103 -4.448 5.930 -0.381 1.00 31.31 H new ATOM 0 HB3 LYS A 103 -3.751 7.516 -0.650 1.00 31.31 H new ATOM 0 HG2 LYS A 103 -4.005 7.402 -2.918 1.00 14.22 H new ATOM 0 HG3 LYS A 103 -3.595 5.700 -2.991 1.00 14.22 H new ATOM 0 HD2 LYS A 103 -6.261 6.789 -2.006 1.00 11.45 H new ATOM 0 HD3 LYS A 103 -5.970 6.193 -3.628 1.00 11.45 H new ATOM 0 HE2 LYS A 103 -5.312 3.972 -2.666 1.00 32.14 H new ATOM 0 HE3 LYS A 103 -5.683 4.577 -1.063 1.00 32.14 H new ATOM 0 HZ1 LYS A 103 -7.643 3.588 -1.582 1.00 3.43 H new ATOM 0 HZ2 LYS A 103 -7.973 5.131 -2.209 1.00 3.43 H new ATOM 0 HZ3 LYS A 103 -7.502 3.875 -3.249 1.00 3.43 H new ATOM 1672 N LYS A 104 -0.703 7.632 -1.333 1.00 53.54 N ATOM 1673 CA LYS A 104 0.302 8.262 -2.184 1.00 52.33 C ATOM 1674 C LYS A 104 1.515 7.347 -2.349 1.00 64.55 C ATOM 1675 O LYS A 104 2.288 7.490 -3.294 1.00 74.53 O ATOM 1676 CB LYS A 104 0.733 9.633 -1.649 1.00 3.03 C ATOM 1677 CG LYS A 104 1.204 9.629 -0.205 1.00 15.33 C ATOM 1678 CD LYS A 104 2.153 10.785 0.070 1.00 12.13 C ATOM 1679 CE LYS A 104 1.496 12.122 -0.209 1.00 15.43 C ATOM 1680 NZ LYS A 104 2.461 13.248 -0.113 1.00 53.45 N ATOM 0 H LYS A 104 -0.859 8.091 -0.435 1.00 53.54 H new ATOM 0 HA LYS A 104 -0.156 8.423 -3.160 1.00 52.33 H new ATOM 0 HB2 LYS A 104 1.536 10.018 -2.278 1.00 3.03 H new ATOM 0 HB3 LYS A 104 -0.104 10.324 -1.742 1.00 3.03 H new ATOM 0 HG2 LYS A 104 0.343 9.696 0.461 1.00 15.33 H new ATOM 0 HG3 LYS A 104 1.704 8.685 0.014 1.00 15.33 H new ATOM 0 HD2 LYS A 104 2.480 10.749 1.109 1.00 12.13 H new ATOM 0 HD3 LYS A 104 3.044 10.680 -0.549 1.00 12.13 H new ATOM 0 HE2 LYS A 104 1.054 12.108 -1.205 1.00 15.43 H new ATOM 0 HE3 LYS A 104 0.682 12.281 0.499 1.00 15.43 H new ATOM 0 HZ1 LYS A 104 1.961 14.148 -0.261 1.00 53.45 H new ATOM 0 HZ2 LYS A 104 2.902 13.248 0.829 1.00 53.45 H new ATOM 0 HZ3 LYS A 104 3.197 13.138 -0.840 1.00 53.45 H new ATOM 1694 N MET A 105 1.666 6.393 -1.434 1.00 73.42 N ATOM 1695 CA MET A 105 2.745 5.416 -1.521 1.00 42.04 C ATOM 1696 C MET A 105 2.431 4.400 -2.619 1.00 42.21 C ATOM 1697 O MET A 105 3.212 4.226 -3.557 1.00 52.20 O ATOM 1698 CB MET A 105 2.941 4.716 -0.167 1.00 42.42 C ATOM 1699 CG MET A 105 4.281 4.002 -0.017 1.00 72.54 C ATOM 1700 SD MET A 105 4.426 2.520 -1.033 1.00 43.40 S ATOM 1701 CE MET A 105 6.134 2.080 -0.731 1.00 73.11 C ATOM 0 H MET A 105 1.055 6.277 -0.625 1.00 73.42 H new ATOM 0 HA MET A 105 3.674 5.927 -1.774 1.00 42.04 H new ATOM 0 HB2 MET A 105 2.846 5.455 0.628 1.00 42.42 H new ATOM 0 HB3 MET A 105 2.139 3.991 -0.026 1.00 42.42 H new ATOM 0 HG2 MET A 105 5.083 4.692 -0.280 1.00 72.54 H new ATOM 0 HG3 MET A 105 4.424 3.731 1.029 1.00 72.54 H new ATOM 0 HE1 MET A 105 6.423 1.267 -1.396 1.00 73.11 H new ATOM 0 HE2 MET A 105 6.771 2.945 -0.917 1.00 73.11 H new ATOM 0 HE3 MET A 105 6.250 1.760 0.305 1.00 73.11 H new ATOM 1711 N LEU A 106 1.265 3.761 -2.516 1.00 45.34 N ATOM 1712 CA LEU A 106 0.818 2.800 -3.524 1.00 33.41 C ATOM 1713 C LEU A 106 0.677 3.482 -4.882 1.00 22.31 C ATOM 1714 O LEU A 106 0.911 2.876 -5.930 1.00 44.53 O ATOM 1715 CB LEU A 106 -0.504 2.149 -3.088 1.00 45.30 C ATOM 1716 CG LEU A 106 -1.664 3.109 -2.797 1.00 2.01 C ATOM 1717 CD1 LEU A 106 -2.512 3.339 -4.038 1.00 23.31 C ATOM 1718 CD2 LEU A 106 -2.523 2.586 -1.658 1.00 4.31 C ATOM 0 H LEU A 106 0.612 3.892 -1.743 1.00 45.34 H new ATOM 0 HA LEU A 106 1.566 2.013 -3.620 1.00 33.41 H new ATOM 0 HB2 LEU A 106 -0.819 1.456 -3.868 1.00 45.30 H new ATOM 0 HB3 LEU A 106 -0.316 1.556 -2.193 1.00 45.30 H new ATOM 0 HG LEU A 106 -1.236 4.066 -2.498 1.00 2.01 H new ATOM 0 HD11 LEU A 106 -3.326 4.024 -3.801 1.00 23.31 H new ATOM 0 HD12 LEU A 106 -1.894 3.769 -4.826 1.00 23.31 H new ATOM 0 HD13 LEU A 106 -2.924 2.389 -4.378 1.00 23.31 H new ATOM 0 HD21 LEU A 106 -3.340 3.283 -1.469 1.00 4.31 H new ATOM 0 HD22 LEU A 106 -2.932 1.612 -1.928 1.00 4.31 H new ATOM 0 HD23 LEU A 106 -1.915 2.487 -0.759 1.00 4.31 H new ATOM 1730 N TYR A 107 0.306 4.754 -4.844 1.00 10.54 N ATOM 1731 CA TYR A 107 0.207 5.572 -6.037 1.00 23.42 C ATOM 1732 C TYR A 107 1.565 5.722 -6.711 1.00 21.40 C ATOM 1733 O TYR A 107 1.676 5.564 -7.923 1.00 13.12 O ATOM 1734 CB TYR A 107 -0.368 6.942 -5.679 1.00 1.24 C ATOM 1735 CG TYR A 107 0.029 8.040 -6.643 1.00 5.30 C ATOM 1736 CD1 TYR A 107 -0.367 8.004 -7.972 1.00 61.40 C ATOM 1737 CD2 TYR A 107 0.817 9.104 -6.222 1.00 23.13 C ATOM 1738 CE1 TYR A 107 0.016 8.990 -8.857 1.00 10.21 C ATOM 1739 CE2 TYR A 107 1.200 10.096 -7.100 1.00 10.11 C ATOM 1740 CZ TYR A 107 0.797 10.034 -8.415 1.00 51.44 C ATOM 1741 OH TYR A 107 1.183 11.015 -9.295 1.00 51.44 O ATOM 0 H TYR A 107 0.066 5.245 -3.983 1.00 10.54 H new ATOM 0 HA TYR A 107 -0.462 5.078 -6.742 1.00 23.42 H new ATOM 0 HB2 TYR A 107 -1.455 6.873 -5.649 1.00 1.24 H new ATOM 0 HB3 TYR A 107 -0.038 7.214 -4.676 1.00 1.24 H new ATOM 0 HD1 TYR A 107 -0.986 7.190 -8.320 1.00 61.40 H new ATOM 0 HD2 TYR A 107 1.135 9.155 -5.191 1.00 23.13 H new ATOM 0 HE1 TYR A 107 -0.295 8.943 -9.890 1.00 10.21 H new ATOM 0 HE2 TYR A 107 1.813 10.917 -6.758 1.00 10.11 H new ATOM 0 HH TYR A 107 1.807 11.626 -8.850 1.00 51.44 H new ATOM 1751 N SER A 108 2.593 6.023 -5.924 1.00 43.01 N ATOM 1752 CA SER A 108 3.937 6.205 -6.461 1.00 15.02 C ATOM 1753 C SER A 108 4.391 4.952 -7.204 1.00 24.21 C ATOM 1754 O SER A 108 5.011 5.037 -8.266 1.00 32.32 O ATOM 1755 CB SER A 108 4.921 6.548 -5.340 1.00 52.44 C ATOM 1756 OG SER A 108 4.573 7.773 -4.717 1.00 31.00 O ATOM 0 H SER A 108 2.521 6.146 -4.914 1.00 43.01 H new ATOM 0 HA SER A 108 3.915 7.035 -7.167 1.00 15.02 H new ATOM 0 HB2 SER A 108 4.928 5.748 -4.600 1.00 52.44 H new ATOM 0 HB3 SER A 108 5.931 6.616 -5.745 1.00 52.44 H new ATOM 0 HG SER A 108 3.762 7.649 -4.181 1.00 31.00 H new ATOM 1762 N SER A 109 4.056 3.794 -6.652 1.00 71.25 N ATOM 1763 CA SER A 109 4.373 2.530 -7.289 1.00 62.33 C ATOM 1764 C SER A 109 3.580 2.363 -8.589 1.00 41.23 C ATOM 1765 O SER A 109 4.136 1.979 -9.618 1.00 2.53 O ATOM 1766 CB SER A 109 4.086 1.374 -6.328 1.00 54.43 C ATOM 1767 OG SER A 109 4.824 1.518 -5.126 1.00 71.44 O ATOM 0 H SER A 109 3.564 3.707 -5.763 1.00 71.25 H new ATOM 0 HA SER A 109 5.434 2.522 -7.540 1.00 62.33 H new ATOM 0 HB2 SER A 109 3.020 1.340 -6.103 1.00 54.43 H new ATOM 0 HB3 SER A 109 4.342 0.428 -6.805 1.00 54.43 H new ATOM 0 HG SER A 109 4.263 1.262 -4.365 1.00 71.44 H new ATOM 1773 N SER A 110 2.282 2.665 -8.542 1.00 55.12 N ATOM 1774 CA SER A 110 1.428 2.543 -9.718 1.00 32.32 C ATOM 1775 C SER A 110 1.845 3.526 -10.813 1.00 65.15 C ATOM 1776 O SER A 110 1.804 3.191 -11.997 1.00 63.30 O ATOM 1777 CB SER A 110 -0.035 2.777 -9.332 1.00 1.23 C ATOM 1778 OG SER A 110 -0.898 2.603 -10.444 1.00 11.41 O ATOM 0 H SER A 110 1.803 2.995 -7.704 1.00 55.12 H new ATOM 0 HA SER A 110 1.540 1.533 -10.112 1.00 32.32 H new ATOM 0 HB2 SER A 110 -0.318 2.086 -8.538 1.00 1.23 H new ATOM 0 HB3 SER A 110 -0.151 3.785 -8.934 1.00 1.23 H new ATOM 0 HG SER A 110 -1.684 3.179 -10.341 1.00 11.41 H new ATOM 1784 N PHE A 111 2.248 4.727 -10.400 1.00 35.12 N ATOM 1785 CA PHE A 111 2.626 5.801 -11.320 1.00 55.12 C ATOM 1786 C PHE A 111 3.638 5.321 -12.359 1.00 54.32 C ATOM 1787 O PHE A 111 3.424 5.474 -13.559 1.00 52.44 O ATOM 1788 CB PHE A 111 3.197 6.988 -10.523 1.00 51.12 C ATOM 1789 CG PHE A 111 3.690 8.140 -11.363 1.00 75.41 C ATOM 1790 CD1 PHE A 111 5.006 8.176 -11.802 1.00 52.44 C ATOM 1791 CD2 PHE A 111 2.847 9.191 -11.707 1.00 4.42 C ATOM 1792 CE1 PHE A 111 5.472 9.229 -12.564 1.00 31.13 C ATOM 1793 CE2 PHE A 111 3.312 10.245 -12.471 1.00 12.20 C ATOM 1794 CZ PHE A 111 4.624 10.264 -12.900 1.00 44.14 C ATOM 0 H PHE A 111 2.322 4.984 -9.416 1.00 35.12 H new ATOM 0 HA PHE A 111 1.733 6.120 -11.857 1.00 55.12 H new ATOM 0 HB2 PHE A 111 2.427 7.356 -9.845 1.00 51.12 H new ATOM 0 HB3 PHE A 111 4.020 6.629 -9.905 1.00 51.12 H new ATOM 0 HD1 PHE A 111 5.675 7.369 -11.544 1.00 52.44 H new ATOM 0 HD2 PHE A 111 1.820 9.184 -11.374 1.00 4.42 H new ATOM 0 HE1 PHE A 111 6.499 9.242 -12.897 1.00 31.13 H new ATOM 0 HE2 PHE A 111 2.648 11.055 -12.733 1.00 12.20 H new ATOM 0 HZ PHE A 111 4.986 11.088 -13.498 1.00 44.14 H new ATOM 1804 N ASP A 112 4.731 4.725 -11.900 1.00 43.34 N ATOM 1805 CA ASP A 112 5.788 4.297 -12.809 1.00 31.34 C ATOM 1806 C ASP A 112 5.472 2.937 -13.426 1.00 71.10 C ATOM 1807 O ASP A 112 5.875 2.649 -14.554 1.00 15.01 O ATOM 1808 CB ASP A 112 7.136 4.259 -12.088 1.00 75.13 C ATOM 1809 CG ASP A 112 8.281 3.908 -13.020 1.00 74.04 C ATOM 1810 OD1 ASP A 112 8.417 4.564 -14.077 1.00 3.42 O ATOM 1811 OD2 ASP A 112 9.060 2.992 -12.689 1.00 64.43 O ATOM 0 H ASP A 112 4.909 4.528 -10.915 1.00 43.34 H new ATOM 0 HA ASP A 112 5.847 5.026 -13.618 1.00 31.34 H new ATOM 0 HB2 ASP A 112 7.328 5.230 -11.631 1.00 75.13 H new ATOM 0 HB3 ASP A 112 7.092 3.529 -11.280 1.00 75.13 H new ATOM 1816 N ALA A 113 4.732 2.107 -12.698 1.00 51.45 N ATOM 1817 CA ALA A 113 4.354 0.789 -13.198 1.00 22.21 C ATOM 1818 C ALA A 113 3.468 0.898 -14.436 1.00 64.22 C ATOM 1819 O ALA A 113 3.623 0.131 -15.390 1.00 11.51 O ATOM 1820 CB ALA A 113 3.657 -0.020 -12.115 1.00 53.52 C ATOM 0 H ALA A 113 4.383 2.322 -11.764 1.00 51.45 H new ATOM 0 HA ALA A 113 5.269 0.270 -13.484 1.00 22.21 H new ATOM 0 HB1 ALA A 113 3.384 -0.999 -12.510 1.00 53.52 H new ATOM 0 HB2 ALA A 113 4.329 -0.146 -11.266 1.00 53.52 H new ATOM 0 HB3 ALA A 113 2.758 0.504 -11.791 1.00 53.52 H new ATOM 1826 N LEU A 114 2.548 1.857 -14.434 1.00 30.32 N ATOM 1827 CA LEU A 114 1.661 2.043 -15.575 1.00 61.42 C ATOM 1828 C LEU A 114 2.403 2.697 -16.735 1.00 71.13 C ATOM 1829 O LEU A 114 2.021 2.535 -17.889 1.00 32.33 O ATOM 1830 CB LEU A 114 0.400 2.842 -15.187 1.00 53.23 C ATOM 1831 CG LEU A 114 0.619 4.237 -14.584 1.00 2.51 C ATOM 1832 CD1 LEU A 114 0.869 5.273 -15.667 1.00 14.34 C ATOM 1833 CD2 LEU A 114 -0.576 4.641 -13.733 1.00 3.33 C ATOM 0 H LEU A 114 2.398 2.510 -13.665 1.00 30.32 H new ATOM 0 HA LEU A 114 1.327 1.059 -15.904 1.00 61.42 H new ATOM 0 HB2 LEU A 114 -0.220 2.951 -16.077 1.00 53.23 H new ATOM 0 HB3 LEU A 114 -0.170 2.249 -14.472 1.00 53.23 H new ATOM 0 HG LEU A 114 1.505 4.192 -13.950 1.00 2.51 H new ATOM 0 HD11 LEU A 114 1.020 6.250 -15.208 1.00 14.34 H new ATOM 0 HD12 LEU A 114 1.757 4.998 -16.236 1.00 14.34 H new ATOM 0 HD13 LEU A 114 0.009 5.315 -16.335 1.00 14.34 H new ATOM 0 HD21 LEU A 114 -0.405 5.632 -13.313 1.00 3.33 H new ATOM 0 HD22 LEU A 114 -1.474 4.659 -14.351 1.00 3.33 H new ATOM 0 HD23 LEU A 114 -0.707 3.922 -12.924 1.00 3.33 H new ATOM 1845 N LYS A 115 3.483 3.410 -16.423 1.00 13.33 N ATOM 1846 CA LYS A 115 4.305 4.055 -17.446 1.00 70.14 C ATOM 1847 C LYS A 115 4.913 3.022 -18.387 1.00 64.41 C ATOM 1848 O LYS A 115 5.165 3.306 -19.556 1.00 63.34 O ATOM 1849 CB LYS A 115 5.423 4.876 -16.801 1.00 42.22 C ATOM 1850 CG LYS A 115 4.960 6.185 -16.185 1.00 52.30 C ATOM 1851 CD LYS A 115 6.061 6.863 -15.373 1.00 73.33 C ATOM 1852 CE LYS A 115 7.305 7.166 -16.201 1.00 10.40 C ATOM 1853 NZ LYS A 115 8.192 5.979 -16.359 1.00 43.40 N ATOM 0 H LYS A 115 3.810 3.556 -15.468 1.00 13.33 H new ATOM 0 HA LYS A 115 3.658 4.718 -18.020 1.00 70.14 H new ATOM 0 HB2 LYS A 115 5.901 4.274 -16.029 1.00 42.22 H new ATOM 0 HB3 LYS A 115 6.182 5.090 -17.554 1.00 42.22 H new ATOM 0 HG2 LYS A 115 4.627 6.858 -16.975 1.00 52.30 H new ATOM 0 HG3 LYS A 115 4.100 5.998 -15.542 1.00 52.30 H new ATOM 0 HD2 LYS A 115 5.676 7.791 -14.951 1.00 73.33 H new ATOM 0 HD3 LYS A 115 6.335 6.222 -14.535 1.00 73.33 H new ATOM 0 HE2 LYS A 115 7.003 7.523 -17.186 1.00 10.40 H new ATOM 0 HE3 LYS A 115 7.865 7.973 -15.727 1.00 10.40 H new ATOM 0 HZ1 LYS A 115 9.186 6.275 -16.280 1.00 43.40 H new ATOM 0 HZ2 LYS A 115 7.978 5.284 -15.616 1.00 43.40 H new ATOM 0 HZ3 LYS A 115 8.032 5.548 -17.292 1.00 43.40 H new ATOM 1867 N LYS A 116 5.144 1.824 -17.866 1.00 35.22 N ATOM 1868 CA LYS A 116 5.709 0.740 -18.656 1.00 22.54 C ATOM 1869 C LYS A 116 4.695 0.241 -19.681 1.00 33.23 C ATOM 1870 O LYS A 116 5.028 0.009 -20.839 1.00 73.33 O ATOM 1871 CB LYS A 116 6.122 -0.417 -17.748 1.00 4.44 C ATOM 1872 CG LYS A 116 6.892 -1.512 -18.468 1.00 11.32 C ATOM 1873 CD LYS A 116 6.791 -2.841 -17.741 1.00 4.13 C ATOM 1874 CE LYS A 116 7.176 -2.720 -16.276 1.00 31.54 C ATOM 1875 NZ LYS A 116 7.049 -4.018 -15.567 1.00 11.44 N ATOM 0 H LYS A 116 4.948 1.579 -16.896 1.00 35.22 H new ATOM 0 HA LYS A 116 6.587 1.121 -19.178 1.00 22.54 H new ATOM 0 HB2 LYS A 116 6.735 -0.028 -16.935 1.00 4.44 H new ATOM 0 HB3 LYS A 116 5.229 -0.849 -17.296 1.00 4.44 H new ATOM 0 HG2 LYS A 116 6.507 -1.622 -19.482 1.00 11.32 H new ATOM 0 HG3 LYS A 116 7.940 -1.223 -18.555 1.00 11.32 H new ATOM 0 HD2 LYS A 116 5.772 -3.219 -17.818 1.00 4.13 H new ATOM 0 HD3 LYS A 116 7.439 -3.570 -18.227 1.00 4.13 H new ATOM 0 HE2 LYS A 116 8.202 -2.361 -16.198 1.00 31.54 H new ATOM 0 HE3 LYS A 116 6.541 -1.977 -15.793 1.00 31.54 H new ATOM 0 HZ1 LYS A 116 7.320 -3.897 -14.570 1.00 11.44 H new ATOM 0 HZ2 LYS A 116 6.064 -4.348 -15.621 1.00 11.44 H new ATOM 0 HZ3 LYS A 116 7.674 -4.720 -16.013 1.00 11.44 H new ATOM 1889 N SER A 117 3.453 0.085 -19.243 1.00 14.34 N ATOM 1890 CA SER A 117 2.404 -0.447 -20.100 1.00 3.14 C ATOM 1891 C SER A 117 1.842 0.640 -21.011 1.00 22.22 C ATOM 1892 O SER A 117 1.436 0.369 -22.138 1.00 62.01 O ATOM 1893 CB SER A 117 1.292 -1.051 -19.242 1.00 32.24 C ATOM 1894 OG SER A 117 1.805 -2.062 -18.385 1.00 15.04 O ATOM 0 H SER A 117 3.148 0.320 -18.298 1.00 14.34 H new ATOM 0 HA SER A 117 2.832 -1.226 -20.731 1.00 3.14 H new ATOM 0 HB2 SER A 117 0.821 -0.269 -18.647 1.00 32.24 H new ATOM 0 HB3 SER A 117 0.519 -1.472 -19.885 1.00 32.24 H new ATOM 0 HG SER A 117 1.110 -2.732 -18.216 1.00 15.04 H new ATOM 1900 N LEU A 118 1.838 1.868 -20.516 1.00 11.10 N ATOM 1901 CA LEU A 118 1.368 3.015 -21.283 1.00 24.43 C ATOM 1902 C LEU A 118 2.557 3.737 -21.916 1.00 22.22 C ATOM 1903 O LEU A 118 2.520 4.948 -22.139 1.00 43.21 O ATOM 1904 CB LEU A 118 0.587 3.970 -20.371 1.00 71.23 C ATOM 1905 CG LEU A 118 -0.624 3.352 -19.667 1.00 11.21 C ATOM 1906 CD1 LEU A 118 -1.275 4.369 -18.745 1.00 1.10 C ATOM 1907 CD2 LEU A 118 -1.629 2.829 -20.684 1.00 62.43 C ATOM 0 H LEU A 118 2.159 2.099 -19.576 1.00 11.10 H new ATOM 0 HA LEU A 118 0.704 2.669 -22.076 1.00 24.43 H new ATOM 0 HB2 LEU A 118 1.267 4.362 -19.614 1.00 71.23 H new ATOM 0 HB3 LEU A 118 0.248 4.819 -20.965 1.00 71.23 H new ATOM 0 HG LEU A 118 -0.281 2.510 -19.066 1.00 11.21 H new ATOM 0 HD11 LEU A 118 -2.134 3.915 -18.252 1.00 1.10 H new ATOM 0 HD12 LEU A 118 -0.555 4.693 -17.994 1.00 1.10 H new ATOM 0 HD13 LEU A 118 -1.604 5.230 -19.327 1.00 1.10 H new ATOM 0 HD21 LEU A 118 -2.482 2.394 -20.162 1.00 62.43 H new ATOM 0 HD22 LEU A 118 -1.970 3.650 -21.314 1.00 62.43 H new ATOM 0 HD23 LEU A 118 -1.156 2.068 -21.304 1.00 62.43 H new ATOM 1919 N VAL A 119 3.606 2.974 -22.210 1.00 21.14 N ATOM 1920 CA VAL A 119 4.833 3.525 -22.772 1.00 12.10 C ATOM 1921 C VAL A 119 4.580 4.163 -24.139 1.00 30.53 C ATOM 1922 O VAL A 119 3.904 3.592 -24.996 1.00 61.40 O ATOM 1923 CB VAL A 119 5.938 2.446 -22.881 1.00 3.12 C ATOM 1924 CG1 VAL A 119 5.504 1.302 -23.788 1.00 71.31 C ATOM 1925 CG2 VAL A 119 7.247 3.054 -23.366 1.00 42.53 C ATOM 0 H VAL A 119 3.629 1.964 -22.066 1.00 21.14 H new ATOM 0 HA VAL A 119 5.179 4.301 -22.089 1.00 12.10 H new ATOM 0 HB VAL A 119 6.102 2.038 -21.884 1.00 3.12 H new ATOM 0 HG11 VAL A 119 6.301 0.560 -23.845 1.00 71.31 H new ATOM 0 HG12 VAL A 119 4.604 0.838 -23.383 1.00 71.31 H new ATOM 0 HG13 VAL A 119 5.296 1.688 -24.786 1.00 71.31 H new ATOM 0 HG21 VAL A 119 8.007 2.275 -23.434 1.00 42.53 H new ATOM 0 HG22 VAL A 119 7.098 3.502 -24.348 1.00 42.53 H new ATOM 0 HG23 VAL A 119 7.575 3.820 -22.663 1.00 42.53 H new ATOM 1935 N GLY A 120 5.116 5.359 -24.326 1.00 55.20 N ATOM 1936 CA GLY A 120 4.920 6.066 -25.573 1.00 20.32 C ATOM 1937 C GLY A 120 4.298 7.426 -25.353 1.00 62.31 C ATOM 1938 O GLY A 120 4.090 8.184 -26.302 1.00 32.44 O ATOM 0 H GLY A 120 5.683 5.852 -23.637 1.00 55.20 H new ATOM 0 HA2 GLY A 120 5.878 6.182 -26.080 1.00 20.32 H new ATOM 0 HA3 GLY A 120 4.281 5.475 -26.230 1.00 20.32 H new ATOM 1942 N VAL A 121 3.988 7.725 -24.097 1.00 73.01 N ATOM 1943 CA VAL A 121 3.429 9.019 -23.734 1.00 11.02 C ATOM 1944 C VAL A 121 4.479 10.120 -23.912 1.00 14.32 C ATOM 1945 O VAL A 121 5.682 9.869 -23.808 1.00 51.51 O ATOM 1946 CB VAL A 121 2.893 9.018 -22.278 1.00 55.25 C ATOM 1947 CG1 VAL A 121 4.014 9.144 -21.255 1.00 63.31 C ATOM 1948 CG2 VAL A 121 1.869 10.114 -22.075 1.00 13.44 C ATOM 0 H VAL A 121 4.115 7.086 -23.312 1.00 73.01 H new ATOM 0 HA VAL A 121 2.588 9.217 -24.399 1.00 11.02 H new ATOM 0 HB VAL A 121 2.409 8.054 -22.120 1.00 55.25 H new ATOM 0 HG11 VAL A 121 3.592 9.139 -20.250 1.00 63.31 H new ATOM 0 HG12 VAL A 121 4.702 8.305 -21.364 1.00 63.31 H new ATOM 0 HG13 VAL A 121 4.552 10.078 -21.418 1.00 63.31 H new ATOM 0 HG21 VAL A 121 1.510 10.090 -21.046 1.00 13.44 H new ATOM 0 HG22 VAL A 121 2.327 11.082 -22.277 1.00 13.44 H new ATOM 0 HG23 VAL A 121 1.031 9.960 -22.755 1.00 13.44 H new ATOM 1958 N GLN A 122 4.018 11.329 -24.194 1.00 21.11 N ATOM 1959 CA GLN A 122 4.910 12.450 -24.457 1.00 20.52 C ATOM 1960 C GLN A 122 5.187 13.256 -23.189 1.00 44.33 C ATOM 1961 O GLN A 122 6.338 13.545 -22.866 1.00 53.13 O ATOM 1962 CB GLN A 122 4.310 13.346 -25.545 1.00 22.44 C ATOM 1963 CG GLN A 122 4.603 12.859 -26.957 1.00 72.13 C ATOM 1964 CD GLN A 122 3.671 13.454 -27.994 1.00 43.44 C ATOM 1965 OE1 GLN A 122 2.660 12.690 -28.378 1.00 34.34 O flip ATOM 1966 NE2 GLN A 122 3.884 14.566 -28.481 1.00 55.32 N flip ATOM 0 H GLN A 122 3.026 11.560 -24.247 1.00 21.11 H new ATOM 0 HA GLN A 122 5.864 12.053 -24.805 1.00 20.52 H new ATOM 0 HB2 GLN A 122 3.231 13.403 -25.405 1.00 22.44 H new ATOM 0 HB3 GLN A 122 4.700 14.357 -25.429 1.00 22.44 H new ATOM 0 HG2 GLN A 122 5.632 13.109 -27.215 1.00 72.13 H new ATOM 0 HG3 GLN A 122 4.522 11.772 -26.985 1.00 72.13 H new ATOM 0 HE21 GLN A 122 4.675 15.122 -28.156 1.00 55.32 H new ATOM 0 HE22 GLN A 122 3.269 14.930 -29.209 1.00 55.32 H new ATOM 1975 N LYS A 123 4.133 13.611 -22.471 1.00 43.35 N ATOM 1976 CA LYS A 123 4.268 14.413 -21.260 1.00 61.03 C ATOM 1977 C LYS A 123 3.656 13.702 -20.066 1.00 23.44 C ATOM 1978 O LYS A 123 2.520 13.244 -20.123 1.00 63.30 O ATOM 1979 CB LYS A 123 3.590 15.772 -21.453 1.00 51.45 C ATOM 1980 CG LYS A 123 3.402 16.579 -20.169 1.00 72.31 C ATOM 1981 CD LYS A 123 4.447 17.673 -20.017 1.00 43.52 C ATOM 1982 CE LYS A 123 5.776 17.146 -19.495 1.00 75.22 C ATOM 1983 NZ LYS A 123 5.798 17.067 -18.007 1.00 31.51 N ATOM 0 H LYS A 123 3.173 13.357 -22.704 1.00 43.35 H new ATOM 0 HA LYS A 123 5.331 14.561 -21.068 1.00 61.03 H new ATOM 0 HB2 LYS A 123 4.181 16.362 -22.154 1.00 51.45 H new ATOM 0 HB3 LYS A 123 2.615 15.614 -21.913 1.00 51.45 H new ATOM 0 HG2 LYS A 123 2.408 17.026 -20.166 1.00 72.31 H new ATOM 0 HG3 LYS A 123 3.453 15.909 -19.311 1.00 72.31 H new ATOM 0 HD2 LYS A 123 4.605 18.155 -20.982 1.00 43.52 H new ATOM 0 HD3 LYS A 123 4.071 18.437 -19.337 1.00 43.52 H new ATOM 0 HE2 LYS A 123 5.964 16.157 -19.914 1.00 75.22 H new ATOM 0 HE3 LYS A 123 6.583 17.795 -19.836 1.00 75.22 H new ATOM 0 HZ1 LYS A 123 6.783 17.089 -17.673 1.00 31.51 H new ATOM 0 HZ2 LYS A 123 5.279 17.875 -17.609 1.00 31.51 H new ATOM 0 HZ3 LYS A 123 5.348 16.181 -17.700 1.00 31.51 H new ATOM 1997 N TYR A 124 4.419 13.603 -18.994 1.00 12.21 N ATOM 1998 CA TYR A 124 3.909 13.085 -17.737 1.00 51.43 C ATOM 1999 C TYR A 124 3.803 14.219 -16.722 1.00 13.23 C ATOM 2000 O TYR A 124 4.756 14.975 -16.528 1.00 12.40 O ATOM 2001 CB TYR A 124 4.805 11.951 -17.214 1.00 53.34 C ATOM 2002 CG TYR A 124 6.293 12.221 -17.342 1.00 32.40 C ATOM 2003 CD1 TYR A 124 6.971 11.923 -18.519 1.00 20.31 C ATOM 2004 CD2 TYR A 124 7.018 12.770 -16.290 1.00 55.55 C ATOM 2005 CE1 TYR A 124 8.325 12.165 -18.645 1.00 13.11 C ATOM 2006 CE2 TYR A 124 8.374 13.016 -16.410 1.00 54.41 C ATOM 2007 CZ TYR A 124 9.022 12.711 -17.590 1.00 1.13 C ATOM 2008 OH TYR A 124 10.369 12.956 -17.719 1.00 50.51 O ATOM 0 H TYR A 124 5.401 13.876 -18.968 1.00 12.21 H new ATOM 0 HA TYR A 124 2.915 12.668 -17.898 1.00 51.43 H new ATOM 0 HB2 TYR A 124 4.569 11.772 -16.165 1.00 53.34 H new ATOM 0 HB3 TYR A 124 4.566 11.036 -17.755 1.00 53.34 H new ATOM 0 HD1 TYR A 124 6.429 11.495 -19.349 1.00 20.31 H new ATOM 0 HD2 TYR A 124 6.514 13.008 -15.365 1.00 55.55 H new ATOM 0 HE1 TYR A 124 8.835 11.927 -19.567 1.00 13.11 H new ATOM 0 HE2 TYR A 124 8.923 13.445 -15.585 1.00 54.41 H new ATOM 0 HH TYR A 124 10.712 13.343 -16.887 1.00 50.51 H new ATOM 2018 N ILE A 125 2.628 14.373 -16.127 1.00 62.55 N ATOM 2019 CA ILE A 125 2.389 15.423 -15.147 1.00 44.34 C ATOM 2020 C ILE A 125 1.341 14.973 -14.125 1.00 71.25 C ATOM 2021 O ILE A 125 0.247 14.553 -14.493 1.00 54.21 O ATOM 2022 CB ILE A 125 1.934 16.741 -15.828 1.00 42.53 C ATOM 2023 CG1 ILE A 125 1.626 17.807 -14.770 1.00 52.02 C ATOM 2024 CG2 ILE A 125 0.729 16.504 -16.735 1.00 1.43 C ATOM 2025 CD1 ILE A 125 1.257 19.154 -15.351 1.00 2.14 C ATOM 0 H ILE A 125 1.819 13.778 -16.308 1.00 62.55 H new ATOM 0 HA ILE A 125 3.331 15.615 -14.632 1.00 44.34 H new ATOM 0 HB ILE A 125 2.750 17.103 -16.454 1.00 42.53 H new ATOM 0 HG12 ILE A 125 0.807 17.456 -14.142 1.00 52.02 H new ATOM 0 HG13 ILE A 125 2.496 17.926 -14.124 1.00 52.02 H new ATOM 0 HG21 ILE A 125 0.432 17.445 -17.199 1.00 1.43 H new ATOM 0 HG22 ILE A 125 0.993 15.785 -17.510 1.00 1.43 H new ATOM 0 HG23 ILE A 125 -0.100 16.113 -16.144 1.00 1.43 H new ATOM 0 HD11 ILE A 125 1.053 19.856 -14.542 1.00 2.14 H new ATOM 0 HD12 ILE A 125 2.083 19.528 -15.956 1.00 2.14 H new ATOM 0 HD13 ILE A 125 0.369 19.050 -15.974 1.00 2.14 H new ATOM 2037 N GLN A 126 1.678 15.032 -12.845 1.00 65.44 N ATOM 2038 CA GLN A 126 0.707 14.721 -11.803 1.00 1.15 C ATOM 2039 C GLN A 126 -0.166 15.932 -11.528 1.00 72.30 C ATOM 2040 O GLN A 126 0.325 17.055 -11.417 1.00 20.13 O ATOM 2041 CB GLN A 126 1.398 14.267 -10.513 1.00 32.53 C ATOM 2042 CG GLN A 126 0.481 14.244 -9.291 1.00 71.51 C ATOM 2043 CD GLN A 126 1.212 13.906 -8.006 1.00 12.25 C ATOM 2044 OE1 GLN A 126 2.245 13.236 -8.018 1.00 13.52 O ATOM 2045 NE2 GLN A 126 0.662 14.338 -6.882 1.00 73.24 N ATOM 0 H GLN A 126 2.604 15.289 -12.504 1.00 65.44 H new ATOM 0 HA GLN A 126 0.084 13.900 -12.157 1.00 1.15 H new ATOM 0 HB2 GLN A 126 1.809 13.269 -10.665 1.00 32.53 H new ATOM 0 HB3 GLN A 126 2.239 14.930 -10.311 1.00 32.53 H new ATOM 0 HG2 GLN A 126 0.003 15.218 -9.185 1.00 71.51 H new ATOM 0 HG3 GLN A 126 -0.313 13.515 -9.453 1.00 71.51 H new ATOM 0 HE21 GLN A 126 -0.195 14.891 -6.913 1.00 73.24 H new ATOM 0 HE22 GLN A 126 1.095 14.118 -5.985 1.00 73.24 H new ATOM 2054 N ALA A 127 -1.455 15.691 -11.418 1.00 3.42 N ATOM 2055 CA ALA A 127 -2.406 16.742 -11.121 1.00 40.45 C ATOM 2056 C ALA A 127 -2.848 16.635 -9.669 1.00 11.22 C ATOM 2057 O ALA A 127 -3.504 15.670 -9.279 1.00 61.22 O ATOM 2058 CB ALA A 127 -3.600 16.658 -12.058 1.00 51.35 C ATOM 0 H ALA A 127 -1.872 14.767 -11.531 1.00 3.42 H new ATOM 0 HA ALA A 127 -1.929 17.710 -11.272 1.00 40.45 H new ATOM 0 HB1 ALA A 127 -4.305 17.455 -11.821 1.00 51.35 H new ATOM 0 HB2 ALA A 127 -3.262 16.767 -13.089 1.00 51.35 H new ATOM 0 HB3 ALA A 127 -4.090 15.692 -11.937 1.00 51.35 H new ATOM 2064 N THR A 128 -2.470 17.620 -8.869 1.00 1.20 N ATOM 2065 CA THR A 128 -2.749 17.586 -7.443 1.00 31.11 C ATOM 2066 C THR A 128 -4.213 17.884 -7.153 1.00 32.22 C ATOM 2067 O THR A 128 -4.753 17.458 -6.133 1.00 44.45 O ATOM 2068 CB THR A 128 -1.870 18.594 -6.688 1.00 12.12 C ATOM 2069 OG1 THR A 128 -2.063 19.914 -7.221 1.00 41.24 O ATOM 2070 CG2 THR A 128 -0.403 18.218 -6.797 1.00 4.11 C ATOM 0 H THR A 128 -1.970 18.452 -9.183 1.00 1.20 H new ATOM 0 HA THR A 128 -2.521 16.577 -7.099 1.00 31.11 H new ATOM 0 HB THR A 128 -2.162 18.577 -5.638 1.00 12.12 H new ATOM 0 HG1 THR A 128 -2.947 20.246 -6.960 1.00 41.24 H new ATOM 0 HG21 THR A 128 0.200 18.946 -6.255 1.00 4.11 H new ATOM 0 HG22 THR A 128 -0.248 17.228 -6.369 1.00 4.11 H new ATOM 0 HG23 THR A 128 -0.106 18.210 -7.846 1.00 4.11 H new ATOM 2078 N ASP A 129 -4.847 18.624 -8.052 1.00 52.32 N ATOM 2079 CA ASP A 129 -6.236 19.013 -7.884 1.00 41.13 C ATOM 2080 C ASP A 129 -6.759 19.642 -9.172 1.00 41.04 C ATOM 2081 O ASP A 129 -6.062 19.659 -10.189 1.00 65.30 O ATOM 2082 CB ASP A 129 -6.388 19.997 -6.718 1.00 5.50 C ATOM 2083 CG ASP A 129 -5.726 21.331 -6.986 1.00 14.22 C ATOM 2084 OD1 ASP A 129 -4.483 21.418 -6.882 1.00 5.24 O ATOM 2085 OD2 ASP A 129 -6.448 22.302 -7.286 1.00 61.23 O ATOM 0 H ASP A 129 -4.416 18.968 -8.910 1.00 52.32 H new ATOM 0 HA ASP A 129 -6.820 18.121 -7.658 1.00 41.13 H new ATOM 0 HB2 ASP A 129 -7.448 20.156 -6.519 1.00 5.50 H new ATOM 0 HB3 ASP A 129 -5.957 19.557 -5.819 1.00 5.50 H new ATOM 2090 N LEU A 130 -7.971 20.175 -9.112 1.00 41.21 N ATOM 2091 CA LEU A 130 -8.642 20.729 -10.285 1.00 0.03 C ATOM 2092 C LEU A 130 -7.883 21.921 -10.865 1.00 4.53 C ATOM 2093 O LEU A 130 -7.809 22.088 -12.085 1.00 32.31 O ATOM 2094 CB LEU A 130 -10.067 21.152 -9.911 1.00 24.43 C ATOM 2095 CG LEU A 130 -10.905 21.727 -11.056 1.00 25.52 C ATOM 2096 CD1 LEU A 130 -11.151 20.674 -12.126 1.00 12.22 C ATOM 2097 CD2 LEU A 130 -12.224 22.270 -10.529 1.00 72.32 C ATOM 0 H LEU A 130 -8.518 20.237 -8.253 1.00 41.21 H new ATOM 0 HA LEU A 130 -8.673 19.953 -11.050 1.00 0.03 H new ATOM 0 HB2 LEU A 130 -10.588 20.287 -9.501 1.00 24.43 H new ATOM 0 HB3 LEU A 130 -10.010 21.896 -9.116 1.00 24.43 H new ATOM 0 HG LEU A 130 -10.348 22.548 -11.508 1.00 25.52 H new ATOM 0 HD11 LEU A 130 -11.748 21.105 -12.930 1.00 12.22 H new ATOM 0 HD12 LEU A 130 -10.197 20.332 -12.526 1.00 12.22 H new ATOM 0 HD13 LEU A 130 -11.685 19.830 -11.690 1.00 12.22 H new ATOM 0 HD21 LEU A 130 -12.807 22.675 -11.356 1.00 72.32 H new ATOM 0 HD22 LEU A 130 -12.783 21.466 -10.050 1.00 72.32 H new ATOM 0 HD23 LEU A 130 -12.029 23.059 -9.803 1.00 72.32 H new ATOM 2109 N SER A 131 -7.295 22.722 -9.990 1.00 74.11 N ATOM 2110 CA SER A 131 -6.665 23.974 -10.390 1.00 53.50 C ATOM 2111 C SER A 131 -5.480 23.739 -11.323 1.00 53.14 C ATOM 2112 O SER A 131 -5.173 24.577 -12.176 1.00 34.54 O ATOM 2113 CB SER A 131 -6.204 24.725 -9.146 1.00 20.15 C ATOM 2114 OG SER A 131 -7.214 24.706 -8.149 1.00 74.05 O ATOM 0 H SER A 131 -7.240 22.526 -8.990 1.00 74.11 H new ATOM 0 HA SER A 131 -7.400 24.566 -10.935 1.00 53.50 H new ATOM 0 HB2 SER A 131 -5.293 24.271 -8.757 1.00 20.15 H new ATOM 0 HB3 SER A 131 -5.961 25.755 -9.406 1.00 20.15 H new ATOM 0 HG SER A 131 -7.045 23.969 -7.526 1.00 74.05 H new ATOM 2120 N GLU A 132 -4.828 22.593 -11.173 1.00 63.31 N ATOM 2121 CA GLU A 132 -3.621 22.298 -11.936 1.00 65.34 C ATOM 2122 C GLU A 132 -3.939 21.462 -13.174 1.00 22.41 C ATOM 2123 O GLU A 132 -3.056 21.183 -13.985 1.00 71.01 O ATOM 2124 CB GLU A 132 -2.615 21.536 -11.068 1.00 20.15 C ATOM 2125 CG GLU A 132 -2.403 22.127 -9.683 1.00 61.23 C ATOM 2126 CD GLU A 132 -1.903 23.556 -9.713 1.00 44.34 C ATOM 2127 OE1 GLU A 132 -0.684 23.766 -9.873 1.00 23.21 O ATOM 2128 OE2 GLU A 132 -2.724 24.478 -9.548 1.00 13.24 O ATOM 0 H GLU A 132 -5.114 21.853 -10.531 1.00 63.31 H new ATOM 0 HA GLU A 132 -3.193 23.249 -12.252 1.00 65.34 H new ATOM 0 HB2 GLU A 132 -2.953 20.505 -10.962 1.00 20.15 H new ATOM 0 HB3 GLU A 132 -1.657 21.505 -11.587 1.00 20.15 H new ATOM 0 HG2 GLU A 132 -3.342 22.089 -9.132 1.00 61.23 H new ATOM 0 HG3 GLU A 132 -1.688 21.510 -9.138 1.00 61.23 H new ATOM 2135 N ALA A 133 -5.196 21.063 -13.322 1.00 23.34 N ATOM 2136 CA ALA A 133 -5.555 20.118 -14.373 1.00 15.03 C ATOM 2137 C ALA A 133 -6.655 20.636 -15.292 1.00 45.20 C ATOM 2138 O ALA A 133 -7.155 19.894 -16.136 1.00 71.20 O ATOM 2139 CB ALA A 133 -5.975 18.799 -13.758 1.00 40.35 C ATOM 0 H ALA A 133 -5.973 21.373 -12.738 1.00 23.34 H new ATOM 0 HA ALA A 133 -4.667 19.980 -14.990 1.00 15.03 H new ATOM 0 HB1 ALA A 133 -6.242 18.098 -14.548 1.00 40.35 H new ATOM 0 HB2 ALA A 133 -5.150 18.391 -13.174 1.00 40.35 H new ATOM 0 HB3 ALA A 133 -6.836 18.958 -13.108 1.00 40.35 H new ATOM 2145 N SER A 134 -7.033 21.897 -15.137 1.00 31.30 N ATOM 2146 CA SER A 134 -8.034 22.491 -16.015 1.00 64.13 C ATOM 2147 C SER A 134 -7.495 22.543 -17.442 1.00 42.33 C ATOM 2148 O SER A 134 -6.286 22.619 -17.640 1.00 13.24 O ATOM 2149 CB SER A 134 -8.404 23.897 -15.541 1.00 63.51 C ATOM 2150 OG SER A 134 -9.329 24.508 -16.429 1.00 34.11 O ATOM 0 H SER A 134 -6.667 22.524 -14.420 1.00 31.30 H new ATOM 0 HA SER A 134 -8.933 21.875 -15.989 1.00 64.13 H new ATOM 0 HB2 SER A 134 -8.835 23.846 -14.541 1.00 63.51 H new ATOM 0 HB3 SER A 134 -7.505 24.509 -15.470 1.00 63.51 H new ATOM 0 HG SER A 134 -9.551 25.405 -16.103 1.00 34.11 H new ATOM 2156 N ARG A 135 -8.384 22.512 -18.432 1.00 54.10 N ATOM 2157 CA ARG A 135 -7.961 22.484 -19.833 1.00 74.10 C ATOM 2158 C ARG A 135 -7.163 23.736 -20.207 1.00 40.21 C ATOM 2159 O ARG A 135 -6.386 23.719 -21.158 1.00 63.42 O ATOM 2160 CB ARG A 135 -9.153 22.297 -20.787 1.00 30.12 C ATOM 2161 CG ARG A 135 -10.177 23.427 -20.785 1.00 13.13 C ATOM 2162 CD ARG A 135 -11.135 23.336 -19.604 1.00 74.44 C ATOM 2163 NE ARG A 135 -12.194 24.338 -19.687 1.00 41.22 N ATOM 2164 CZ ARG A 135 -12.131 25.548 -19.135 1.00 22.45 C ATOM 2165 NH1 ARG A 135 -11.112 25.870 -18.345 1.00 30.02 N ATOM 2166 NH2 ARG A 135 -13.112 26.417 -19.336 1.00 52.31 N ATOM 0 H ARG A 135 -9.395 22.506 -18.294 1.00 54.10 H new ATOM 0 HA ARG A 135 -7.306 21.620 -19.945 1.00 74.10 H new ATOM 0 HB2 ARG A 135 -8.770 22.179 -21.801 1.00 30.12 H new ATOM 0 HB3 ARG A 135 -9.662 21.368 -20.528 1.00 30.12 H new ATOM 0 HG2 ARG A 135 -9.658 24.385 -20.756 1.00 13.13 H new ATOM 0 HG3 ARG A 135 -10.746 23.401 -21.714 1.00 13.13 H new ATOM 0 HD2 ARG A 135 -11.578 22.341 -19.571 1.00 74.44 H new ATOM 0 HD3 ARG A 135 -10.581 23.469 -18.675 1.00 74.44 H new ATOM 0 HE ARG A 135 -13.039 24.094 -20.203 1.00 41.22 H new ATOM 0 HH11 ARG A 135 -10.375 25.189 -18.160 1.00 30.02 H new ATOM 0 HH12 ARG A 135 -11.067 26.798 -17.924 1.00 30.02 H new ATOM 0 HH21 ARG A 135 -13.913 26.158 -19.912 1.00 52.31 H new ATOM 0 HH22 ARG A 135 -13.066 27.345 -18.914 1.00 52.31 H new ATOM 2180 N GLU A 136 -7.340 24.808 -19.445 1.00 5.32 N ATOM 2181 CA GLU A 136 -6.582 26.033 -19.668 1.00 5.31 C ATOM 2182 C GLU A 136 -5.162 25.876 -19.128 1.00 53.14 C ATOM 2183 O GLU A 136 -4.210 26.429 -19.679 1.00 74.04 O ATOM 2184 CB GLU A 136 -7.278 27.217 -19.000 1.00 61.12 C ATOM 2185 CG GLU A 136 -8.630 27.538 -19.611 1.00 53.34 C ATOM 2186 CD GLU A 136 -9.365 28.634 -18.868 1.00 65.04 C ATOM 2187 OE1 GLU A 136 -10.006 28.330 -17.842 1.00 25.44 O ATOM 2188 OE2 GLU A 136 -9.322 29.800 -19.315 1.00 54.13 O ATOM 0 H GLU A 136 -8.000 24.854 -18.669 1.00 5.32 H new ATOM 0 HA GLU A 136 -6.530 26.224 -20.740 1.00 5.31 H new ATOM 0 HB2 GLU A 136 -7.408 27.003 -17.939 1.00 61.12 H new ATOM 0 HB3 GLU A 136 -6.636 28.095 -19.072 1.00 61.12 H new ATOM 0 HG2 GLU A 136 -8.492 27.839 -20.649 1.00 53.34 H new ATOM 0 HG3 GLU A 136 -9.243 26.637 -19.619 1.00 53.34 H new ATOM 2195 N ALA A 137 -5.031 25.101 -18.056 1.00 62.13 N ATOM 2196 CA ALA A 137 -3.727 24.809 -17.470 1.00 11.33 C ATOM 2197 C ALA A 137 -3.042 23.694 -18.248 1.00 32.53 C ATOM 2198 O ALA A 137 -1.819 23.572 -18.247 1.00 52.13 O ATOM 2199 CB ALA A 137 -3.865 24.423 -16.002 1.00 34.21 C ATOM 0 H ALA A 137 -5.815 24.662 -17.574 1.00 62.13 H new ATOM 0 HA ALA A 137 -3.115 25.709 -17.528 1.00 11.33 H new ATOM 0 HB1 ALA A 137 -2.880 24.210 -15.588 1.00 34.21 H new ATOM 0 HB2 ALA A 137 -4.320 25.246 -15.451 1.00 34.21 H new ATOM 0 HB3 ALA A 137 -4.494 23.537 -15.916 1.00 34.21 H new ATOM 2205 N VAL A 138 -3.851 22.874 -18.906 1.00 4.33 N ATOM 2206 CA VAL A 138 -3.349 21.826 -19.781 1.00 30.11 C ATOM 2207 C VAL A 138 -2.502 22.425 -20.905 1.00 24.13 C ATOM 2208 O VAL A 138 -1.522 21.821 -21.341 1.00 32.43 O ATOM 2209 CB VAL A 138 -4.517 20.993 -20.369 1.00 43.34 C ATOM 2210 CG1 VAL A 138 -4.042 20.073 -21.486 1.00 43.01 C ATOM 2211 CG2 VAL A 138 -5.195 20.178 -19.277 1.00 73.33 C ATOM 0 H VAL A 138 -4.868 22.917 -18.848 1.00 4.33 H new ATOM 0 HA VAL A 138 -2.720 21.162 -19.189 1.00 30.11 H new ATOM 0 HB VAL A 138 -5.238 21.693 -20.791 1.00 43.34 H new ATOM 0 HG11 VAL A 138 -4.888 19.505 -21.874 1.00 43.01 H new ATOM 0 HG12 VAL A 138 -3.607 20.669 -22.288 1.00 43.01 H new ATOM 0 HG13 VAL A 138 -3.291 19.385 -21.097 1.00 43.01 H new ATOM 0 HG21 VAL A 138 -6.012 19.600 -19.709 1.00 73.33 H new ATOM 0 HG22 VAL A 138 -4.470 19.501 -18.825 1.00 73.33 H new ATOM 0 HG23 VAL A 138 -5.589 20.849 -18.514 1.00 73.33 H new ATOM 2221 N GLU A 139 -2.883 23.625 -21.343 1.00 55.13 N ATOM 2222 CA GLU A 139 -2.163 24.353 -22.389 1.00 2.40 C ATOM 2223 C GLU A 139 -0.664 24.437 -22.089 1.00 64.11 C ATOM 2224 O GLU A 139 0.161 23.976 -22.878 1.00 52.43 O ATOM 2225 CB GLU A 139 -2.764 25.761 -22.539 1.00 73.02 C ATOM 2226 CG GLU A 139 -1.968 26.712 -23.426 1.00 65.53 C ATOM 2227 CD GLU A 139 -1.865 26.254 -24.869 1.00 43.14 C ATOM 2228 OE1 GLU A 139 -2.823 26.472 -25.642 1.00 4.02 O ATOM 2229 OE2 GLU A 139 -0.810 25.711 -25.243 1.00 2.30 O ATOM 0 H GLU A 139 -3.699 24.120 -20.983 1.00 55.13 H new ATOM 0 HA GLU A 139 -2.274 23.808 -23.326 1.00 2.40 H new ATOM 0 HB2 GLU A 139 -3.771 25.668 -22.945 1.00 73.02 H new ATOM 0 HB3 GLU A 139 -2.859 26.206 -21.549 1.00 73.02 H new ATOM 0 HG2 GLU A 139 -2.434 27.697 -23.399 1.00 65.53 H new ATOM 0 HG3 GLU A 139 -0.964 26.823 -23.016 1.00 65.53 H new ATOM 2236 N GLU A 140 -0.311 24.978 -20.929 1.00 2.35 N ATOM 2237 CA GLU A 140 1.090 25.248 -20.620 1.00 13.34 C ATOM 2238 C GLU A 140 1.915 23.967 -20.469 1.00 20.25 C ATOM 2239 O GLU A 140 3.112 23.968 -20.753 1.00 41.53 O ATOM 2240 CB GLU A 140 1.215 26.137 -19.378 1.00 13.43 C ATOM 2241 CG GLU A 140 0.394 25.677 -18.187 1.00 64.10 C ATOM 2242 CD GLU A 140 0.467 26.657 -17.037 1.00 44.53 C ATOM 2243 OE1 GLU A 140 0.104 27.841 -17.236 1.00 63.32 O ATOM 2244 OE2 GLU A 140 0.904 26.262 -15.939 1.00 53.01 O ATOM 0 H GLU A 140 -0.968 25.237 -20.192 1.00 2.35 H new ATOM 0 HA GLU A 140 1.504 25.787 -21.472 1.00 13.34 H new ATOM 0 HB2 GLU A 140 2.264 26.183 -19.084 1.00 13.43 H new ATOM 0 HB3 GLU A 140 0.913 27.151 -19.641 1.00 13.43 H new ATOM 0 HG2 GLU A 140 -0.645 25.550 -18.490 1.00 64.10 H new ATOM 0 HG3 GLU A 140 0.751 24.702 -17.856 1.00 64.10 H new ATOM 2251 N LYS A 141 1.290 22.871 -20.050 1.00 41.34 N ATOM 2252 CA LYS A 141 2.024 21.614 -19.925 1.00 22.32 C ATOM 2253 C LYS A 141 2.047 20.849 -21.248 1.00 11.53 C ATOM 2254 O LYS A 141 2.901 19.991 -21.452 1.00 34.42 O ATOM 2255 CB LYS A 141 1.483 20.728 -18.785 1.00 24.13 C ATOM 2256 CG LYS A 141 -0.012 20.456 -18.824 1.00 0.12 C ATOM 2257 CD LYS A 141 -0.318 19.068 -19.369 1.00 64.23 C ATOM 2258 CE LYS A 141 -1.765 18.681 -19.111 1.00 52.52 C ATOM 2259 NZ LYS A 141 -2.069 17.300 -19.575 1.00 62.41 N ATOM 0 H LYS A 141 0.303 22.825 -19.797 1.00 41.34 H new ATOM 0 HA LYS A 141 3.050 21.877 -19.666 1.00 22.32 H new ATOM 0 HB2 LYS A 141 2.009 19.774 -18.808 1.00 24.13 H new ATOM 0 HB3 LYS A 141 1.724 21.202 -17.834 1.00 24.13 H new ATOM 0 HG2 LYS A 141 -0.426 20.552 -17.820 1.00 0.12 H new ATOM 0 HG3 LYS A 141 -0.502 21.207 -19.444 1.00 0.12 H new ATOM 0 HD2 LYS A 141 -0.118 19.043 -20.440 1.00 64.23 H new ATOM 0 HD3 LYS A 141 0.345 18.338 -18.904 1.00 64.23 H new ATOM 0 HE2 LYS A 141 -1.975 18.759 -18.044 1.00 52.52 H new ATOM 0 HE3 LYS A 141 -2.424 19.386 -19.618 1.00 52.52 H new ATOM 0 HZ1 LYS A 141 -3.066 17.079 -19.379 1.00 62.41 H new ATOM 0 HZ2 LYS A 141 -1.894 17.231 -20.598 1.00 62.41 H new ATOM 0 HZ3 LYS A 141 -1.460 16.623 -19.073 1.00 62.41 H new ATOM 2273 N LEU A 142 1.124 21.157 -22.155 1.00 3.12 N ATOM 2274 CA LEU A 142 1.117 20.491 -23.451 1.00 54.50 C ATOM 2275 C LEU A 142 2.100 21.171 -24.398 1.00 20.41 C ATOM 2276 O LEU A 142 2.800 20.505 -25.165 1.00 75.15 O ATOM 2277 CB LEU A 142 -0.308 20.428 -24.054 1.00 22.24 C ATOM 2278 CG LEU A 142 -0.919 21.735 -24.590 1.00 75.14 C ATOM 2279 CD1 LEU A 142 -0.456 22.023 -26.013 1.00 55.04 C ATOM 2280 CD2 LEU A 142 -2.437 21.667 -24.543 1.00 23.21 C ATOM 0 H LEU A 142 0.386 21.849 -22.020 1.00 3.12 H new ATOM 0 HA LEU A 142 1.441 19.460 -23.306 1.00 54.50 H new ATOM 0 HB2 LEU A 142 -0.295 19.705 -24.870 1.00 22.24 H new ATOM 0 HB3 LEU A 142 -0.978 20.034 -23.290 1.00 22.24 H new ATOM 0 HG LEU A 142 -0.576 22.548 -23.950 1.00 75.14 H new ATOM 0 HD11 LEU A 142 -0.906 22.953 -26.361 1.00 55.04 H new ATOM 0 HD12 LEU A 142 0.630 22.117 -26.030 1.00 55.04 H new ATOM 0 HD13 LEU A 142 -0.760 21.206 -26.667 1.00 55.04 H new ATOM 0 HD21 LEU A 142 -2.855 22.598 -24.925 1.00 23.21 H new ATOM 0 HD22 LEU A 142 -2.783 20.835 -25.157 1.00 23.21 H new ATOM 0 HD23 LEU A 142 -2.763 21.519 -23.513 1.00 23.21 H new ATOM 2292 N ARG A 143 2.169 22.495 -24.319 1.00 13.31 N ATOM 2293 CA ARG A 143 3.062 23.267 -25.173 1.00 73.31 C ATOM 2294 C ARG A 143 4.503 23.147 -24.695 1.00 32.15 C ATOM 2295 O ARG A 143 5.439 23.401 -25.449 1.00 14.43 O ATOM 2296 CB ARG A 143 2.626 24.733 -25.221 1.00 3.21 C ATOM 2297 CG ARG A 143 2.679 25.444 -23.879 1.00 32.11 C ATOM 2298 CD ARG A 143 1.932 26.767 -23.923 1.00 1.54 C ATOM 2299 NE ARG A 143 2.519 27.705 -24.878 1.00 20.02 N ATOM 2300 CZ ARG A 143 1.928 28.074 -26.018 1.00 24.12 C ATOM 2301 NH1 ARG A 143 0.773 27.526 -26.384 1.00 31.22 N ATOM 2302 NH2 ARG A 143 2.503 28.984 -26.798 1.00 10.01 N ATOM 0 H ARG A 143 1.616 23.056 -23.671 1.00 13.31 H new ATOM 0 HA ARG A 143 3.006 22.861 -26.183 1.00 73.31 H new ATOM 0 HB2 ARG A 143 3.262 25.266 -25.927 1.00 3.21 H new ATOM 0 HB3 ARG A 143 1.608 24.785 -25.607 1.00 3.21 H new ATOM 0 HG2 ARG A 143 2.246 24.805 -23.110 1.00 32.11 H new ATOM 0 HG3 ARG A 143 3.718 25.620 -23.599 1.00 32.11 H new ATOM 0 HD2 ARG A 143 0.891 26.585 -24.189 1.00 1.54 H new ATOM 0 HD3 ARG A 143 1.933 27.215 -22.929 1.00 1.54 H new ATOM 0 HE ARG A 143 3.434 28.101 -24.661 1.00 20.02 H new ATOM 0 HH11 ARG A 143 0.334 26.820 -25.793 1.00 31.22 H new ATOM 0 HH12 ARG A 143 0.326 27.812 -27.255 1.00 31.22 H new ATOM 0 HH21 ARG A 143 3.394 29.399 -26.526 1.00 10.01 H new ATOM 0 HH22 ARG A 143 2.053 29.267 -27.669 1.00 10.01 H new ATOM 2316 N ALA A 144 4.673 22.744 -23.439 1.00 73.51 N ATOM 2317 CA ALA A 144 6.000 22.504 -22.886 1.00 60.24 C ATOM 2318 C ALA A 144 6.613 21.253 -23.504 1.00 1.44 C ATOM 2319 O ALA A 144 7.811 21.005 -23.386 1.00 25.43 O ATOM 2320 CB ALA A 144 5.927 22.370 -21.371 1.00 45.13 C ATOM 0 H ALA A 144 3.908 22.577 -22.786 1.00 73.51 H new ATOM 0 HA ALA A 144 6.636 23.356 -23.126 1.00 60.24 H new ATOM 0 HB1 ALA A 144 6.926 22.191 -20.973 1.00 45.13 H new ATOM 0 HB2 ALA A 144 5.525 23.289 -20.943 1.00 45.13 H new ATOM 0 HB3 ALA A 144 5.278 21.534 -21.111 1.00 45.13 H new ATOM 2326 N THR A 145 5.773 20.464 -24.158 1.00 0.24 N ATOM 2327 CA THR A 145 6.214 19.261 -24.847 1.00 71.02 C ATOM 2328 C THR A 145 5.912 19.386 -26.342 1.00 3.43 C ATOM 2329 O THR A 145 5.905 18.402 -27.088 1.00 53.34 O ATOM 2330 CB THR A 145 5.521 18.011 -24.267 1.00 2.22 C ATOM 2331 OG1 THR A 145 5.467 18.122 -22.842 1.00 70.11 O ATOM 2332 CG2 THR A 145 6.269 16.737 -24.637 1.00 63.04 C ATOM 0 H THR A 145 4.770 20.639 -24.226 1.00 0.24 H new ATOM 0 HA THR A 145 7.289 19.150 -24.703 1.00 71.02 H new ATOM 0 HB THR A 145 4.517 17.954 -24.687 1.00 2.22 H new ATOM 0 HG1 THR A 145 6.076 17.468 -22.440 1.00 70.11 H new ATOM 0 HG21 THR A 145 5.753 15.876 -24.212 1.00 63.04 H new ATOM 0 HG22 THR A 145 6.306 16.639 -25.722 1.00 63.04 H new ATOM 0 HG23 THR A 145 7.284 16.783 -24.242 1.00 63.04 H new ATOM 2340 N ASP A 146 5.637 20.608 -26.770 1.00 52.40 N ATOM 2341 CA ASP A 146 5.306 20.870 -28.162 1.00 33.42 C ATOM 2342 C ASP A 146 6.341 21.809 -28.774 1.00 72.30 C ATOM 2343 O ASP A 146 7.410 22.015 -28.197 1.00 42.31 O ATOM 2344 CB ASP A 146 3.904 21.472 -28.272 1.00 43.23 C ATOM 2345 CG ASP A 146 3.305 21.275 -29.648 1.00 70.12 C ATOM 2346 OD1 ASP A 146 2.944 20.127 -29.983 1.00 45.03 O ATOM 2347 OD2 ASP A 146 3.220 22.256 -30.400 1.00 61.43 O ATOM 0 H ASP A 146 5.636 21.435 -26.173 1.00 52.40 H new ATOM 0 HA ASP A 146 5.318 19.929 -28.712 1.00 33.42 H new ATOM 0 HB2 ASP A 146 3.254 21.015 -27.526 1.00 43.23 H new ATOM 0 HB3 ASP A 146 3.949 22.537 -28.046 1.00 43.23 H new