USER MOD reduce.3.24.130724 H: found=0, std=0, add=1200, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1197 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: B 6 LYS NZ :NH3+ -131:sc= 1.35 (180deg=-0.299) USER MOD Set 1.2: B 12 THR OG1 : rot 180:sc= 0.114 USER MOD Set 2.1: A 55 THR OG1 : rot -61:sc= 1.26 USER MOD Set 2.2: A 57 SER OG : rot -90:sc= 0.387 USER MOD Set 3.1: A 7 THR OG1 : rot -114:sc=-0.000226 USER MOD Set 3.2: A 9 THR OG1 : rot -140:sc= 0.0258 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -177:sc= 1.09 (180deg=-0.0555) USER MOD Set 4.2: A 12 THR OG1 : rot 121:sc= -0.0205 USER MOD Single : A 1 MET CE :methyl 171:sc= -0.0489 (180deg=-0.135) USER MOD Single : A 1 MET N :NH3+ 167:sc= 2.42 (180deg=2.1) USER MOD Single : A 2 GLN : amide:sc= -1.05! K(o=-1.1!,f=-0.062) USER MOD Single : A 11 LYS NZ :NH3+ 169:sc= 1.18 (180deg=0.849) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 147:sc= 0.591 USER MOD Single : A 25 ASN : amide:sc= 0.9 K(o=0.9,f=-1.5!) USER MOD Single : A 27 LYS NZ :NH3+ 141:sc= 1.26 (180deg=0.873) USER MOD Single : A 29 LYS NZ :NH3+ -129:sc= 1.23 (180deg=0.567) USER MOD Single : A 31 GLN : amide:sc= -0.143 K(o=-0.14,f=-1.3!) USER MOD Single : A 33 LYS NZ :NH3+ 136:sc= 0.677 (180deg=-0.0386) USER MOD Single : A 40 GLN : amide:sc= 1.13 K(o=1.1,f=-0.042) USER MOD Single : A 41 GLN : amide:sc= -1.02 K(o=-1,f=-7.6!) USER MOD Single : A 48 LYS NZ :NH3+ -160:sc= 1.03 (180deg=0.742) USER MOD Single : A 49 GLN : amide:sc= -3.16! C(o=-3.2!,f=-6.6!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.189 K(o=-0.19,f=-1.1) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= -0.0189 (180deg=-0.298) USER MOD Single : A 65 SER OG : rot -120:sc= 0.413 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -3.46! C(o=-3.5!,f=-4.3!) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 154:sc= 2.44 (180deg=1.4) USER MOD Single : B 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 7 THR OG1 : rot -150:sc= -1 USER MOD Single : B 9 THR OG1 : rot 180:sc= 0.0695 USER MOD Single : B 11 LYS NZ :NH3+ 156:sc= 0.889 (180deg=-0.727!) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0.0452 USER MOD Single : B 25 ASN : amide:sc= -0.904 K(o=-0.9,f=-4.9!) USER MOD Single : B 27 LYS NZ :NH3+ -162:sc= 1.26 (180deg=0.606) USER MOD Single : B 29 LYS NZ :NH3+ 162:sc= 1.04 (180deg=0.834) USER MOD Single : B 31 GLN : amide:sc= -1.35 K(o=-1.4,f=-2) USER MOD Single : B 33 LYS NZ :NH3+ 166:sc= 0.97 (180deg=0.85) USER MOD Single : B 40 GLN : amide:sc= 1.11 K(o=1.1,f=-0.052) USER MOD Single : B 41 GLN : amide:sc= 1.43 K(o=1.4,f=-2.8) USER MOD Single : B 48 LYS NZ :NH3+ -99:sc= -0.324 (180deg=-1.09) USER MOD Single : B 49 GLN : amide:sc= -0.394 K(o=-0.39,f=-11!) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot 83:sc= 0.185 USER MOD Single : B 59 TYR OH : rot 150:sc= 1.01 USER MOD Single : B 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 62 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.24) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 SER OG : rot 123:sc= 1.14 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HD1:sc= -0.225 X(o=-0.22,f=0.0011) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.082 23.311 6.825 1.00 0.86 N ATOM 2 CA MET A 1 -3.436 22.722 6.917 1.00 0.85 C ATOM 3 C MET A 1 -3.375 21.374 7.619 1.00 0.82 C ATOM 4 O MET A 1 -2.421 20.613 7.445 1.00 0.77 O ATOM 5 CB MET A 1 -4.055 22.573 5.521 1.00 0.81 C ATOM 6 CG MET A 1 -3.272 21.663 4.590 1.00 0.73 C ATOM 7 SD MET A 1 -3.915 21.673 2.905 1.00 0.79 S ATOM 8 CE MET A 1 -2.862 20.445 2.135 1.00 0.71 C ATOM 0 H1 MET A 1 -2.096 24.112 6.161 1.00 0.86 H new ATOM 0 H2 MET A 1 -1.784 23.645 7.764 1.00 0.86 H new ATOM 0 H3 MET A 1 -1.413 22.591 6.485 1.00 0.86 H new ATOM 0 HA MET A 1 -4.067 23.392 7.501 1.00 0.85 H new ATOM 0 HB2 MET A 1 -5.068 22.185 5.624 1.00 0.81 H new ATOM 0 HB3 MET A 1 -4.137 23.559 5.064 1.00 0.81 H new ATOM 0 HG2 MET A 1 -2.227 21.974 4.578 1.00 0.73 H new ATOM 0 HG3 MET A 1 -3.297 20.645 4.978 1.00 0.73 H new ATOM 0 HE1 MET A 1 -3.236 20.220 1.136 1.00 0.71 H new ATOM 0 HE2 MET A 1 -1.845 20.831 2.063 1.00 0.71 H new ATOM 0 HE3 MET A 1 -2.863 19.536 2.736 1.00 0.71 H new ATOM 20 N GLN A 2 -4.386 21.090 8.421 1.00 0.85 N ATOM 21 CA GLN A 2 -4.449 19.845 9.171 1.00 0.84 C ATOM 22 C GLN A 2 -4.913 18.685 8.291 1.00 0.75 C ATOM 23 O GLN A 2 -5.715 18.869 7.373 1.00 0.76 O ATOM 24 CB GLN A 2 -5.393 20.003 10.365 1.00 0.95 C ATOM 25 CG GLN A 2 -5.282 18.883 11.388 1.00 1.04 C ATOM 26 CD GLN A 2 -6.393 18.917 12.422 1.00 1.15 C ATOM 27 OE1 GLN A 2 -6.185 18.563 13.584 1.00 1.32 O ATOM 28 NE2 GLN A 2 -7.582 19.328 12.008 1.00 1.48 N ATOM 0 H GLN A 2 -5.182 21.710 8.571 1.00 0.85 H new ATOM 0 HA GLN A 2 -3.445 19.616 9.527 1.00 0.84 H new ATOM 0 HB2 GLN A 2 -5.186 20.953 10.857 1.00 0.95 H new ATOM 0 HB3 GLN A 2 -6.419 20.050 10.001 1.00 0.95 H new ATOM 0 HG2 GLN A 2 -5.302 17.923 10.872 1.00 1.04 H new ATOM 0 HG3 GLN A 2 -4.319 18.954 11.894 1.00 1.04 H new ATOM 0 HE21 GLN A 2 -7.714 19.613 11.037 1.00 1.48 H new ATOM 0 HE22 GLN A 2 -8.366 19.360 12.660 1.00 1.48 H new ATOM 37 N ILE A 3 -4.409 17.495 8.594 1.00 0.67 N ATOM 38 CA ILE A 3 -4.758 16.283 7.863 1.00 0.59 C ATOM 39 C ILE A 3 -4.847 15.115 8.833 1.00 0.56 C ATOM 40 O ILE A 3 -4.225 15.143 9.897 1.00 0.59 O ATOM 41 CB ILE A 3 -3.730 15.935 6.761 1.00 0.52 C ATOM 42 CG1 ILE A 3 -2.307 15.930 7.331 1.00 0.51 C ATOM 43 CG2 ILE A 3 -3.845 16.904 5.592 1.00 0.54 C ATOM 44 CD1 ILE A 3 -1.311 15.189 6.466 1.00 0.44 C ATOM 0 H ILE A 3 -3.746 17.343 9.354 1.00 0.67 H new ATOM 0 HA ILE A 3 -5.717 16.466 7.379 1.00 0.59 H new ATOM 0 HB ILE A 3 -3.950 14.933 6.391 1.00 0.52 H new ATOM 0 HG12 ILE A 3 -1.971 16.959 7.457 1.00 0.51 H new ATOM 0 HG13 ILE A 3 -2.323 15.477 8.322 1.00 0.51 H new ATOM 0 HG21 ILE A 3 -3.113 16.641 4.828 1.00 0.54 H new ATOM 0 HG22 ILE A 3 -4.848 16.846 5.169 1.00 0.54 H new ATOM 0 HG23 ILE A 3 -3.657 17.919 5.941 1.00 0.54 H new ATOM 0 HD11 ILE A 3 -0.326 15.227 6.931 1.00 0.44 H new ATOM 0 HD12 ILE A 3 -1.623 14.150 6.361 1.00 0.44 H new ATOM 0 HD13 ILE A 3 -1.266 15.656 5.482 1.00 0.44 H new ATOM 56 N PHE A 4 -5.617 14.100 8.475 1.00 0.54 N ATOM 57 CA PHE A 4 -5.777 12.928 9.329 1.00 0.55 C ATOM 58 C PHE A 4 -5.310 11.678 8.599 1.00 0.53 C ATOM 59 O PHE A 4 -5.930 11.258 7.624 1.00 0.56 O ATOM 60 CB PHE A 4 -7.241 12.753 9.745 1.00 0.59 C ATOM 61 CG PHE A 4 -7.911 14.020 10.202 1.00 0.73 C ATOM 62 CD1 PHE A 4 -7.657 14.540 11.461 1.00 0.79 C ATOM 63 CD2 PHE A 4 -8.802 14.684 9.373 1.00 0.96 C ATOM 64 CE1 PHE A 4 -8.278 15.700 11.884 1.00 0.98 C ATOM 65 CE2 PHE A 4 -9.425 15.844 9.790 1.00 1.11 C ATOM 66 CZ PHE A 4 -9.163 16.354 11.048 1.00 1.08 C ATOM 0 H PHE A 4 -6.141 14.061 7.601 1.00 0.54 H new ATOM 0 HA PHE A 4 -5.171 13.077 10.222 1.00 0.55 H new ATOM 0 HB2 PHE A 4 -7.799 12.344 8.903 1.00 0.59 H new ATOM 0 HB3 PHE A 4 -7.293 12.018 10.549 1.00 0.59 H new ATOM 0 HD1 PHE A 4 -6.966 14.033 12.119 1.00 0.79 H new ATOM 0 HD2 PHE A 4 -9.011 14.290 8.390 1.00 0.96 H new ATOM 0 HE1 PHE A 4 -8.072 16.095 12.868 1.00 0.98 H new ATOM 0 HE2 PHE A 4 -10.116 16.352 9.134 1.00 1.11 H new ATOM 0 HZ PHE A 4 -9.649 17.261 11.377 1.00 1.08 H new ATOM 76 N VAL A 5 -4.216 11.090 9.054 1.00 0.53 N ATOM 77 CA VAL A 5 -3.692 9.884 8.432 1.00 0.54 C ATOM 78 C VAL A 5 -3.902 8.688 9.353 1.00 0.57 C ATOM 79 O VAL A 5 -3.265 8.583 10.399 1.00 0.62 O ATOM 80 CB VAL A 5 -2.186 10.018 8.112 1.00 0.54 C ATOM 81 CG1 VAL A 5 -1.693 8.818 7.319 1.00 0.60 C ATOM 82 CG2 VAL A 5 -1.905 11.309 7.357 1.00 0.49 C ATOM 0 H VAL A 5 -3.674 11.427 9.850 1.00 0.53 H new ATOM 0 HA VAL A 5 -4.232 9.735 7.497 1.00 0.54 H new ATOM 0 HB VAL A 5 -1.643 10.050 9.057 1.00 0.54 H new ATOM 0 HG11 VAL A 5 -0.631 8.935 7.105 1.00 0.60 H new ATOM 0 HG12 VAL A 5 -1.849 7.909 7.900 1.00 0.60 H new ATOM 0 HG13 VAL A 5 -2.246 8.749 6.382 1.00 0.60 H new ATOM 0 HG21 VAL A 5 -0.839 11.381 7.143 1.00 0.49 H new ATOM 0 HG22 VAL A 5 -2.464 11.312 6.421 1.00 0.49 H new ATOM 0 HG23 VAL A 5 -2.211 12.160 7.965 1.00 0.49 H new ATOM 92 N LYS A 6 -4.810 7.803 8.977 1.00 0.58 N ATOM 93 CA LYS A 6 -5.096 6.626 9.780 1.00 0.61 C ATOM 94 C LYS A 6 -4.528 5.371 9.131 1.00 0.57 C ATOM 95 O LYS A 6 -4.862 5.041 7.989 1.00 0.56 O ATOM 96 CB LYS A 6 -6.603 6.464 9.982 1.00 0.68 C ATOM 97 CG LYS A 6 -7.187 7.436 10.990 1.00 0.70 C ATOM 98 CD LYS A 6 -8.654 7.150 11.258 1.00 0.83 C ATOM 99 CE LYS A 6 -9.182 7.999 12.402 1.00 1.43 C ATOM 100 NZ LYS A 6 -8.674 7.538 13.722 1.00 1.82 N ATOM 0 H LYS A 6 -5.361 7.877 8.122 1.00 0.58 H new ATOM 0 HA LYS A 6 -4.619 6.764 10.751 1.00 0.61 H new ATOM 0 HB2 LYS A 6 -7.106 6.600 9.025 1.00 0.68 H new ATOM 0 HB3 LYS A 6 -6.810 5.445 10.310 1.00 0.68 H new ATOM 0 HG2 LYS A 6 -6.627 7.373 11.923 1.00 0.70 H new ATOM 0 HG3 LYS A 6 -7.076 8.455 10.620 1.00 0.70 H new ATOM 0 HD2 LYS A 6 -9.236 7.347 10.357 1.00 0.83 H new ATOM 0 HD3 LYS A 6 -8.783 6.094 11.496 1.00 0.83 H new ATOM 0 HE2 LYS A 6 -8.892 9.038 12.245 1.00 1.43 H new ATOM 0 HE3 LYS A 6 -10.272 7.968 12.403 1.00 1.43 H new ATOM 0 HZ1 LYS A 6 -9.099 8.113 14.477 1.00 1.82 H new ATOM 0 HZ2 LYS A 6 -8.928 6.539 13.862 1.00 1.82 H new ATOM 0 HZ3 LYS A 6 -7.639 7.639 13.750 1.00 1.82 H new ATOM 114 N THR A 7 -3.673 4.677 9.861 1.00 0.59 N ATOM 115 CA THR A 7 -3.071 3.458 9.360 1.00 0.58 C ATOM 116 C THR A 7 -3.982 2.264 9.634 1.00 0.61 C ATOM 117 O THR A 7 -4.873 2.329 10.487 1.00 0.67 O ATOM 118 CB THR A 7 -1.669 3.213 9.975 1.00 0.60 C ATOM 119 OG1 THR A 7 -1.003 2.152 9.283 1.00 1.25 O ATOM 120 CG2 THR A 7 -1.757 2.864 11.452 1.00 0.94 C ATOM 0 H THR A 7 -3.381 4.938 10.803 1.00 0.59 H new ATOM 0 HA THR A 7 -2.945 3.573 8.283 1.00 0.58 H new ATOM 0 HB THR A 7 -1.103 4.139 9.871 1.00 0.60 H new ATOM 0 HG1 THR A 7 -0.883 1.391 9.889 1.00 1.25 H new ATOM 0 HG21 THR A 7 -0.755 2.699 11.847 1.00 0.94 H new ATOM 0 HG22 THR A 7 -2.230 3.684 11.992 1.00 0.94 H new ATOM 0 HG23 THR A 7 -2.350 1.958 11.577 1.00 0.94 H new ATOM 128 N LEU A 8 -3.759 1.177 8.904 1.00 0.63 N ATOM 129 CA LEU A 8 -4.553 -0.036 9.060 1.00 0.69 C ATOM 130 C LEU A 8 -4.301 -0.677 10.421 1.00 0.72 C ATOM 131 O LEU A 8 -5.075 -1.519 10.878 1.00 0.82 O ATOM 132 CB LEU A 8 -4.217 -1.036 7.954 1.00 0.78 C ATOM 133 CG LEU A 8 -5.327 -1.279 6.930 1.00 0.95 C ATOM 134 CD1 LEU A 8 -4.811 -2.119 5.774 1.00 1.58 C ATOM 135 CD2 LEU A 8 -6.522 -1.954 7.586 1.00 1.89 C ATOM 0 H LEU A 8 -3.030 1.111 8.194 1.00 0.63 H new ATOM 0 HA LEU A 8 -5.606 0.239 8.990 1.00 0.69 H new ATOM 0 HB2 LEU A 8 -3.330 -0.684 7.427 1.00 0.78 H new ATOM 0 HB3 LEU A 8 -3.957 -1.989 8.416 1.00 0.78 H new ATOM 0 HG LEU A 8 -5.649 -0.314 6.539 1.00 0.95 H new ATOM 0 HD11 LEU A 8 -5.614 -2.282 5.055 1.00 1.58 H new ATOM 0 HD12 LEU A 8 -3.987 -1.599 5.286 1.00 1.58 H new ATOM 0 HD13 LEU A 8 -4.461 -3.080 6.151 1.00 1.58 H new ATOM 0 HD21 LEU A 8 -7.301 -2.118 6.842 1.00 1.89 H new ATOM 0 HD22 LEU A 8 -6.214 -2.911 8.006 1.00 1.89 H new ATOM 0 HD23 LEU A 8 -6.909 -1.317 8.381 1.00 1.89 H new ATOM 147 N THR A 9 -3.205 -0.280 11.052 1.00 0.67 N ATOM 148 CA THR A 9 -2.840 -0.799 12.356 1.00 0.72 C ATOM 149 C THR A 9 -3.583 -0.066 13.478 1.00 0.79 C ATOM 150 O THR A 9 -3.522 -0.474 14.637 1.00 0.93 O ATOM 151 CB THR A 9 -1.322 -0.684 12.568 1.00 0.67 C ATOM 152 OG1 THR A 9 -0.671 -0.531 11.295 1.00 1.02 O ATOM 153 CG2 THR A 9 -0.775 -1.914 13.277 1.00 0.80 C ATOM 0 H THR A 9 -2.550 0.406 10.675 1.00 0.67 H new ATOM 0 HA THR A 9 -3.129 -1.849 12.390 1.00 0.72 H new ATOM 0 HB THR A 9 -1.125 0.187 13.193 1.00 0.67 H new ATOM 0 HG1 THR A 9 0.157 -1.055 11.286 1.00 1.02 H new ATOM 0 HG21 THR A 9 0.301 -1.806 13.414 1.00 0.80 H new ATOM 0 HG22 THR A 9 -1.256 -2.018 14.249 1.00 0.80 H new ATOM 0 HG23 THR A 9 -0.977 -2.800 12.676 1.00 0.80 H new ATOM 161 N GLY A 10 -4.270 1.025 13.138 1.00 0.77 N ATOM 162 CA GLY A 10 -5.027 1.765 14.136 1.00 0.89 C ATOM 163 C GLY A 10 -4.487 3.158 14.423 1.00 0.91 C ATOM 164 O GLY A 10 -5.263 4.105 14.590 1.00 1.31 O ATOM 0 H GLY A 10 -4.316 1.408 12.194 1.00 0.77 H new ATOM 0 HA2 GLY A 10 -6.061 1.850 13.802 1.00 0.89 H new ATOM 0 HA3 GLY A 10 -5.038 1.194 15.064 1.00 0.89 H new ATOM 168 N LYS A 11 -3.165 3.281 14.489 1.00 0.91 N ATOM 169 CA LYS A 11 -2.509 4.558 14.778 1.00 0.92 C ATOM 170 C LYS A 11 -2.958 5.663 13.821 1.00 0.82 C ATOM 171 O LYS A 11 -3.056 5.462 12.608 1.00 0.78 O ATOM 172 CB LYS A 11 -0.985 4.402 14.707 1.00 0.92 C ATOM 173 CG LYS A 11 -0.214 5.511 15.410 1.00 1.03 C ATOM 174 CD LYS A 11 -0.403 5.451 16.920 1.00 1.32 C ATOM 175 CE LYS A 11 0.789 6.038 17.661 1.00 1.41 C ATOM 176 NZ LYS A 11 0.839 7.521 17.568 1.00 1.51 N ATOM 0 H LYS A 11 -2.519 2.505 14.345 1.00 0.91 H new ATOM 0 HA LYS A 11 -2.802 4.849 15.787 1.00 0.92 H new ATOM 0 HB2 LYS A 11 -0.707 3.445 15.148 1.00 0.92 H new ATOM 0 HB3 LYS A 11 -0.682 4.370 13.660 1.00 0.92 H new ATOM 0 HG2 LYS A 11 0.846 5.426 15.171 1.00 1.03 H new ATOM 0 HG3 LYS A 11 -0.548 6.480 15.039 1.00 1.03 H new ATOM 0 HD2 LYS A 11 -1.306 5.995 17.195 1.00 1.32 H new ATOM 0 HD3 LYS A 11 -0.548 4.415 17.228 1.00 1.32 H new ATOM 0 HE2 LYS A 11 0.743 5.744 18.709 1.00 1.41 H new ATOM 0 HE3 LYS A 11 1.709 5.620 17.253 1.00 1.41 H new ATOM 0 HZ1 LYS A 11 1.550 7.887 18.233 1.00 1.51 H new ATOM 0 HZ2 LYS A 11 1.096 7.800 16.599 1.00 1.51 H new ATOM 0 HZ3 LYS A 11 -0.093 7.915 17.806 1.00 1.51 H new ATOM 190 N THR A 12 -3.236 6.826 14.384 1.00 0.80 N ATOM 191 CA THR A 12 -3.660 7.981 13.614 1.00 0.74 C ATOM 192 C THR A 12 -2.638 9.102 13.757 1.00 0.75 C ATOM 193 O THR A 12 -2.126 9.343 14.851 1.00 0.79 O ATOM 194 CB THR A 12 -5.042 8.476 14.078 1.00 0.70 C ATOM 195 OG1 THR A 12 -5.971 7.385 14.045 1.00 0.74 O ATOM 196 CG2 THR A 12 -5.543 9.614 13.197 1.00 0.70 C ATOM 0 H THR A 12 -3.174 6.996 15.388 1.00 0.80 H new ATOM 0 HA THR A 12 -3.734 7.685 12.567 1.00 0.74 H new ATOM 0 HB THR A 12 -4.953 8.855 15.096 1.00 0.70 H new ATOM 0 HG1 THR A 12 -6.340 7.242 14.942 1.00 0.74 H new ATOM 0 HG21 THR A 12 -6.521 9.943 13.549 1.00 0.70 H new ATOM 0 HG22 THR A 12 -4.841 10.447 13.244 1.00 0.70 H new ATOM 0 HG23 THR A 12 -5.626 9.267 12.167 1.00 0.70 H new ATOM 204 N ILE A 13 -2.332 9.771 12.656 1.00 0.77 N ATOM 205 CA ILE A 13 -1.367 10.856 12.665 1.00 0.85 C ATOM 206 C ILE A 13 -2.015 12.160 12.209 1.00 0.75 C ATOM 207 O ILE A 13 -2.733 12.189 11.207 1.00 0.68 O ATOM 208 CB ILE A 13 -0.164 10.543 11.749 1.00 1.03 C ATOM 209 CG1 ILE A 13 0.280 9.089 11.936 1.00 1.10 C ATOM 210 CG2 ILE A 13 0.987 11.497 12.042 1.00 1.31 C ATOM 211 CD1 ILE A 13 1.165 8.578 10.821 1.00 1.24 C ATOM 0 H ILE A 13 -2.741 9.579 11.742 1.00 0.77 H new ATOM 0 HA ILE A 13 -1.013 10.965 13.690 1.00 0.85 H new ATOM 0 HB ILE A 13 -0.468 10.681 10.711 1.00 1.03 H new ATOM 0 HG12 ILE A 13 0.814 9.000 12.882 1.00 1.10 H new ATOM 0 HG13 ILE A 13 -0.603 8.454 12.007 1.00 1.10 H new ATOM 0 HG21 ILE A 13 1.828 11.264 11.389 1.00 1.31 H new ATOM 0 HG22 ILE A 13 0.663 12.523 11.865 1.00 1.31 H new ATOM 0 HG23 ILE A 13 1.294 11.388 13.082 1.00 1.31 H new ATOM 0 HD11 ILE A 13 1.440 7.542 11.021 1.00 1.24 H new ATOM 0 HD12 ILE A 13 0.627 8.635 9.875 1.00 1.24 H new ATOM 0 HD13 ILE A 13 2.066 9.188 10.763 1.00 1.24 H new ATOM 223 N THR A 14 -1.772 13.221 12.962 1.00 0.80 N ATOM 224 CA THR A 14 -2.305 14.536 12.644 1.00 0.79 C ATOM 225 C THR A 14 -1.157 15.512 12.430 1.00 0.78 C ATOM 226 O THR A 14 -0.355 15.740 13.338 1.00 0.84 O ATOM 227 CB THR A 14 -3.218 15.054 13.770 1.00 0.91 C ATOM 228 OG1 THR A 14 -2.838 14.455 15.019 1.00 1.31 O ATOM 229 CG2 THR A 14 -4.676 14.741 13.470 1.00 1.07 C ATOM 0 H THR A 14 -1.202 13.195 13.808 1.00 0.80 H new ATOM 0 HA THR A 14 -2.899 14.453 11.734 1.00 0.79 H new ATOM 0 HB THR A 14 -3.104 16.136 13.837 1.00 0.91 H new ATOM 0 HG1 THR A 14 -3.421 14.789 15.733 1.00 1.31 H new ATOM 0 HG21 THR A 14 -5.303 15.116 14.279 1.00 1.07 H new ATOM 0 HG22 THR A 14 -4.966 15.220 12.535 1.00 1.07 H new ATOM 0 HG23 THR A 14 -4.806 13.662 13.381 1.00 1.07 H new ATOM 237 N LEU A 15 -1.057 16.061 11.228 1.00 0.73 N ATOM 238 CA LEU A 15 0.015 16.995 10.913 1.00 0.75 C ATOM 239 C LEU A 15 -0.514 18.255 10.246 1.00 0.77 C ATOM 240 O LEU A 15 -1.657 18.303 9.785 1.00 0.77 O ATOM 241 CB LEU A 15 1.033 16.338 9.980 1.00 0.73 C ATOM 242 CG LEU A 15 1.658 15.040 10.487 1.00 0.73 C ATOM 243 CD1 LEU A 15 2.210 14.236 9.325 1.00 0.78 C ATOM 244 CD2 LEU A 15 2.755 15.334 11.499 1.00 0.91 C ATOM 0 H LEU A 15 -1.701 15.878 10.459 1.00 0.73 H new ATOM 0 HA LEU A 15 0.489 17.269 11.856 1.00 0.75 H new ATOM 0 HB2 LEU A 15 0.546 16.136 9.026 1.00 0.73 H new ATOM 0 HB3 LEU A 15 1.833 17.052 9.785 1.00 0.73 H new ATOM 0 HG LEU A 15 0.885 14.453 10.982 1.00 0.73 H new ATOM 0 HD11 LEU A 15 2.653 13.313 9.699 1.00 0.78 H new ATOM 0 HD12 LEU A 15 1.403 13.997 8.632 1.00 0.78 H new ATOM 0 HD13 LEU A 15 2.971 14.820 8.807 1.00 0.78 H new ATOM 0 HD21 LEU A 15 3.188 14.397 11.849 1.00 0.91 H new ATOM 0 HD22 LEU A 15 3.530 15.939 11.030 1.00 0.91 H new ATOM 0 HD23 LEU A 15 2.334 15.877 12.345 1.00 0.91 H new ATOM 256 N GLU A 16 0.343 19.266 10.202 1.00 0.80 N ATOM 257 CA GLU A 16 0.032 20.539 9.570 1.00 0.83 C ATOM 258 C GLU A 16 0.866 20.669 8.300 1.00 0.78 C ATOM 259 O GLU A 16 1.917 21.313 8.290 1.00 0.84 O ATOM 260 CB GLU A 16 0.332 21.703 10.519 1.00 0.95 C ATOM 261 CG GLU A 16 -0.905 22.297 11.176 1.00 1.01 C ATOM 262 CD GLU A 16 -1.704 23.176 10.232 1.00 1.06 C ATOM 263 OE1 GLU A 16 -1.119 23.713 9.267 1.00 1.08 O ATOM 264 OE2 GLU A 16 -2.920 23.341 10.452 1.00 1.17 O ATOM 0 H GLU A 16 1.279 19.225 10.606 1.00 0.80 H new ATOM 0 HA GLU A 16 -1.029 20.572 9.325 1.00 0.83 H new ATOM 0 HB2 GLU A 16 1.014 21.359 11.296 1.00 0.95 H new ATOM 0 HB3 GLU A 16 0.849 22.487 9.965 1.00 0.95 H new ATOM 0 HG2 GLU A 16 -1.541 21.490 11.540 1.00 1.01 H new ATOM 0 HG3 GLU A 16 -0.604 22.883 12.045 1.00 1.01 H new ATOM 271 N VAL A 17 0.402 20.034 7.236 1.00 0.70 N ATOM 272 CA VAL A 17 1.113 20.047 5.966 1.00 0.68 C ATOM 273 C VAL A 17 0.797 21.299 5.162 1.00 0.72 C ATOM 274 O VAL A 17 -0.133 22.042 5.482 1.00 0.76 O ATOM 275 CB VAL A 17 0.774 18.809 5.111 1.00 0.60 C ATOM 276 CG1 VAL A 17 1.399 17.558 5.708 1.00 0.57 C ATOM 277 CG2 VAL A 17 -0.733 18.649 4.978 1.00 0.58 C ATOM 0 H VAL A 17 -0.467 19.501 7.226 1.00 0.70 H new ATOM 0 HA VAL A 17 2.175 20.034 6.210 1.00 0.68 H new ATOM 0 HB VAL A 17 1.191 18.954 4.114 1.00 0.60 H new ATOM 0 HG11 VAL A 17 1.148 16.696 5.090 1.00 0.57 H new ATOM 0 HG12 VAL A 17 2.482 17.675 5.746 1.00 0.57 H new ATOM 0 HG13 VAL A 17 1.015 17.406 6.717 1.00 0.57 H new ATOM 0 HG21 VAL A 17 -0.954 17.771 4.372 1.00 0.58 H new ATOM 0 HG22 VAL A 17 -1.175 18.527 5.967 1.00 0.58 H new ATOM 0 HG23 VAL A 17 -1.152 19.534 4.500 1.00 0.58 H new ATOM 287 N GLU A 18 1.570 21.514 4.113 1.00 0.73 N ATOM 288 CA GLU A 18 1.390 22.667 3.247 1.00 0.78 C ATOM 289 C GLU A 18 0.675 22.246 1.964 1.00 0.76 C ATOM 290 O GLU A 18 0.733 21.082 1.575 1.00 0.72 O ATOM 291 CB GLU A 18 2.750 23.288 2.923 1.00 0.86 C ATOM 292 CG GLU A 18 3.488 23.794 4.151 1.00 0.94 C ATOM 293 CD GLU A 18 4.967 24.000 3.900 1.00 1.06 C ATOM 294 OE1 GLU A 18 5.349 24.249 2.737 1.00 1.18 O ATOM 295 OE2 GLU A 18 5.755 23.917 4.866 1.00 1.25 O ATOM 0 H GLU A 18 2.336 20.899 3.838 1.00 0.73 H new ATOM 0 HA GLU A 18 0.779 23.411 3.758 1.00 0.78 H new ATOM 0 HB2 GLU A 18 3.368 22.547 2.416 1.00 0.86 H new ATOM 0 HB3 GLU A 18 2.608 24.115 2.227 1.00 0.86 H new ATOM 0 HG2 GLU A 18 3.044 24.735 4.475 1.00 0.94 H new ATOM 0 HG3 GLU A 18 3.358 23.083 4.967 1.00 0.94 H new ATOM 302 N PRO A 19 -0.028 23.175 1.298 1.00 0.80 N ATOM 303 CA PRO A 19 -0.743 22.879 0.050 1.00 0.82 C ATOM 304 C PRO A 19 0.167 22.255 -1.013 1.00 0.86 C ATOM 305 O PRO A 19 -0.231 21.337 -1.730 1.00 0.87 O ATOM 306 CB PRO A 19 -1.234 24.253 -0.413 1.00 0.87 C ATOM 307 CG PRO A 19 -1.319 25.066 0.832 1.00 0.91 C ATOM 308 CD PRO A 19 -0.211 24.577 1.721 1.00 0.88 C ATOM 0 HA PRO A 19 -1.541 22.153 0.204 1.00 0.82 H new ATOM 0 HB2 PRO A 19 -0.544 24.698 -1.130 1.00 0.87 H new ATOM 0 HB3 PRO A 19 -2.204 24.181 -0.906 1.00 0.87 H new ATOM 0 HG2 PRO A 19 -1.204 26.128 0.613 1.00 0.91 H new ATOM 0 HG3 PRO A 19 -2.289 24.943 1.313 1.00 0.91 H new ATOM 0 HD2 PRO A 19 0.700 25.160 1.586 1.00 0.88 H new ATOM 0 HD3 PRO A 19 -0.481 24.647 2.775 1.00 0.88 H new ATOM 316 N SER A 20 1.395 22.753 -1.096 1.00 0.92 N ATOM 317 CA SER A 20 2.359 22.258 -2.069 1.00 1.00 C ATOM 318 C SER A 20 3.325 21.251 -1.444 1.00 0.92 C ATOM 319 O SER A 20 4.429 21.046 -1.950 1.00 0.94 O ATOM 320 CB SER A 20 3.143 23.432 -2.660 1.00 1.18 C ATOM 321 OG SER A 20 2.295 24.547 -2.890 1.00 1.24 O ATOM 0 H SER A 20 1.747 23.501 -0.499 1.00 0.92 H new ATOM 0 HA SER A 20 1.808 21.746 -2.858 1.00 1.00 H new ATOM 0 HB2 SER A 20 3.946 23.716 -1.980 1.00 1.18 H new ATOM 0 HB3 SER A 20 3.610 23.127 -3.596 1.00 1.18 H new ATOM 0 HG SER A 20 2.819 25.285 -3.266 1.00 1.24 H new ATOM 327 N ASP A 21 2.918 20.634 -0.342 1.00 0.85 N ATOM 328 CA ASP A 21 3.756 19.645 0.330 1.00 0.80 C ATOM 329 C ASP A 21 3.824 18.358 -0.481 1.00 0.75 C ATOM 330 O ASP A 21 2.793 17.780 -0.839 1.00 0.73 O ATOM 331 CB ASP A 21 3.224 19.338 1.733 1.00 0.75 C ATOM 332 CG ASP A 21 4.237 19.634 2.821 1.00 0.65 C ATOM 333 OD1 ASP A 21 5.436 19.768 2.506 1.00 0.82 O ATOM 334 OD2 ASP A 21 3.837 19.737 4.000 1.00 0.69 O ATOM 0 H ASP A 21 2.016 20.799 0.105 1.00 0.85 H new ATOM 0 HA ASP A 21 4.758 20.066 0.418 1.00 0.80 H new ATOM 0 HB2 ASP A 21 2.323 19.925 1.912 1.00 0.75 H new ATOM 0 HB3 ASP A 21 2.936 18.288 1.786 1.00 0.75 H new ATOM 339 N THR A 22 5.036 17.929 -0.794 1.00 0.76 N ATOM 340 CA THR A 22 5.238 16.706 -1.550 1.00 0.74 C ATOM 341 C THR A 22 4.933 15.490 -0.687 1.00 0.67 C ATOM 342 O THR A 22 5.072 15.541 0.535 1.00 0.65 O ATOM 343 CB THR A 22 6.679 16.600 -2.077 1.00 0.80 C ATOM 344 OG1 THR A 22 7.590 17.212 -1.152 1.00 0.85 O ATOM 345 CG2 THR A 22 6.804 17.255 -3.444 1.00 1.02 C ATOM 0 H THR A 22 5.896 18.412 -0.535 1.00 0.76 H new ATOM 0 HA THR A 22 4.556 16.735 -2.400 1.00 0.74 H new ATOM 0 HB THR A 22 6.930 15.544 -2.178 1.00 0.80 H new ATOM 0 HG1 THR A 22 8.444 16.731 -1.167 1.00 0.85 H new ATOM 0 HG21 THR A 22 7.832 17.168 -3.797 1.00 1.02 H new ATOM 0 HG22 THR A 22 6.136 16.759 -4.148 1.00 1.02 H new ATOM 0 HG23 THR A 22 6.534 18.308 -3.369 1.00 1.02 H new ATOM 353 N ILE A 23 4.518 14.402 -1.329 1.00 0.65 N ATOM 354 CA ILE A 23 4.205 13.159 -0.626 1.00 0.59 C ATOM 355 C ILE A 23 5.394 12.725 0.230 1.00 0.58 C ATOM 356 O ILE A 23 5.236 12.244 1.353 1.00 0.54 O ATOM 357 CB ILE A 23 3.852 12.030 -1.626 1.00 0.62 C ATOM 358 CG1 ILE A 23 2.737 12.477 -2.582 1.00 0.67 C ATOM 359 CG2 ILE A 23 3.445 10.762 -0.888 1.00 0.55 C ATOM 360 CD1 ILE A 23 1.468 12.922 -1.884 1.00 0.63 C ATOM 0 H ILE A 23 4.390 14.355 -2.340 1.00 0.65 H new ATOM 0 HA ILE A 23 3.342 13.343 0.014 1.00 0.59 H new ATOM 0 HB ILE A 23 4.742 11.812 -2.216 1.00 0.62 H new ATOM 0 HG12 ILE A 23 3.107 13.297 -3.198 1.00 0.67 H new ATOM 0 HG13 ILE A 23 2.499 11.654 -3.256 1.00 0.67 H new ATOM 0 HG21 ILE A 23 3.202 9.983 -1.610 1.00 0.55 H new ATOM 0 HG22 ILE A 23 4.269 10.428 -0.257 1.00 0.55 H new ATOM 0 HG23 ILE A 23 2.573 10.966 -0.267 1.00 0.55 H new ATOM 0 HD11 ILE A 23 0.730 13.222 -2.628 1.00 0.63 H new ATOM 0 HD12 ILE A 23 1.071 12.098 -1.290 1.00 0.63 H new ATOM 0 HD13 ILE A 23 1.689 13.766 -1.231 1.00 0.63 H new ATOM 372 N GLU A 24 6.584 12.944 -0.308 1.00 0.64 N ATOM 373 CA GLU A 24 7.821 12.598 0.368 1.00 0.67 C ATOM 374 C GLU A 24 8.027 13.466 1.612 1.00 0.65 C ATOM 375 O GLU A 24 8.482 12.981 2.650 1.00 0.65 O ATOM 376 CB GLU A 24 8.990 12.751 -0.617 1.00 0.78 C ATOM 377 CG GLU A 24 10.257 13.329 -0.010 1.00 0.94 C ATOM 378 CD GLU A 24 10.555 14.728 -0.506 1.00 1.68 C ATOM 379 OE1 GLU A 24 9.612 15.444 -0.909 1.00 2.11 O ATOM 380 OE2 GLU A 24 11.738 15.127 -0.487 1.00 2.16 O ATOM 0 H GLU A 24 6.717 13.367 -1.226 1.00 0.64 H new ATOM 0 HA GLU A 24 7.771 11.562 0.705 1.00 0.67 H new ATOM 0 HB2 GLU A 24 9.220 11.774 -1.043 1.00 0.78 H new ATOM 0 HB3 GLU A 24 8.673 13.391 -1.440 1.00 0.78 H new ATOM 0 HG2 GLU A 24 10.161 13.345 1.076 1.00 0.94 H new ATOM 0 HG3 GLU A 24 11.098 12.677 -0.245 1.00 0.94 H new ATOM 387 N ASN A 25 7.660 14.741 1.513 1.00 0.66 N ATOM 388 CA ASN A 25 7.819 15.671 2.627 1.00 0.68 C ATOM 389 C ASN A 25 6.838 15.347 3.748 1.00 0.62 C ATOM 390 O ASN A 25 7.126 15.577 4.922 1.00 0.65 O ATOM 391 CB ASN A 25 7.622 17.115 2.166 1.00 0.72 C ATOM 392 CG ASN A 25 8.449 18.096 2.980 1.00 0.79 C ATOM 393 OD1 ASN A 25 9.571 17.794 3.388 1.00 0.86 O ATOM 394 ND2 ASN A 25 7.902 19.272 3.229 1.00 0.83 N ATOM 0 H ASN A 25 7.251 15.153 0.674 1.00 0.66 H new ATOM 0 HA ASN A 25 8.835 15.561 3.007 1.00 0.68 H new ATOM 0 HB2 ASN A 25 7.894 17.199 1.114 1.00 0.72 H new ATOM 0 HB3 ASN A 25 6.567 17.379 2.245 1.00 0.72 H new ATOM 0 HD21 ASN A 25 8.412 19.966 3.776 1.00 0.83 H new ATOM 0 HD22 ASN A 25 6.970 19.486 2.874 1.00 0.83 H new ATOM 401 N VAL A 26 5.673 14.821 3.383 1.00 0.55 N ATOM 402 CA VAL A 26 4.670 14.445 4.373 1.00 0.51 C ATOM 403 C VAL A 26 5.209 13.306 5.224 1.00 0.50 C ATOM 404 O VAL A 26 5.039 13.287 6.447 1.00 0.51 O ATOM 405 CB VAL A 26 3.344 14.009 3.713 1.00 0.49 C ATOM 406 CG1 VAL A 26 2.300 13.650 4.763 1.00 0.48 C ATOM 407 CG2 VAL A 26 2.826 15.104 2.796 1.00 0.50 C ATOM 0 H VAL A 26 5.401 14.646 2.415 1.00 0.55 H new ATOM 0 HA VAL A 26 4.463 15.319 4.990 1.00 0.51 H new ATOM 0 HB VAL A 26 3.538 13.117 3.117 1.00 0.49 H new ATOM 0 HG11 VAL A 26 1.377 13.347 4.269 1.00 0.48 H new ATOM 0 HG12 VAL A 26 2.669 12.829 5.378 1.00 0.48 H new ATOM 0 HG13 VAL A 26 2.106 14.517 5.394 1.00 0.48 H new ATOM 0 HG21 VAL A 26 1.891 14.783 2.338 1.00 0.50 H new ATOM 0 HG22 VAL A 26 2.654 16.012 3.374 1.00 0.50 H new ATOM 0 HG23 VAL A 26 3.562 15.304 2.017 1.00 0.50 H new ATOM 417 N LYS A 27 5.884 12.374 4.562 1.00 0.50 N ATOM 418 CA LYS A 27 6.481 11.232 5.235 1.00 0.50 C ATOM 419 C LYS A 27 7.567 11.699 6.192 1.00 0.55 C ATOM 420 O LYS A 27 7.730 11.148 7.284 1.00 0.55 O ATOM 421 CB LYS A 27 7.080 10.268 4.215 1.00 0.52 C ATOM 422 CG LYS A 27 6.058 9.605 3.311 1.00 0.52 C ATOM 423 CD LYS A 27 6.733 8.668 2.327 1.00 0.69 C ATOM 424 CE LYS A 27 5.750 7.681 1.727 1.00 1.00 C ATOM 425 NZ LYS A 27 6.421 6.744 0.790 1.00 1.16 N ATOM 0 H LYS A 27 6.031 12.389 3.553 1.00 0.50 H new ATOM 0 HA LYS A 27 5.702 10.716 5.797 1.00 0.50 H new ATOM 0 HB2 LYS A 27 7.797 10.809 3.598 1.00 0.52 H new ATOM 0 HB3 LYS A 27 7.635 9.494 4.745 1.00 0.52 H new ATOM 0 HG2 LYS A 27 5.339 9.050 3.914 1.00 0.52 H new ATOM 0 HG3 LYS A 27 5.498 10.367 2.768 1.00 0.52 H new ATOM 0 HD2 LYS A 27 7.197 9.250 1.530 1.00 0.69 H new ATOM 0 HD3 LYS A 27 7.532 8.125 2.831 1.00 0.69 H new ATOM 0 HE2 LYS A 27 5.268 7.116 2.525 1.00 1.00 H new ATOM 0 HE3 LYS A 27 4.964 8.223 1.200 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 6.018 5.792 0.903 1.00 1.16 H new ATOM 0 HZ2 LYS A 27 6.276 7.068 -0.188 1.00 1.16 H new ATOM 0 HZ3 LYS A 27 7.440 6.715 0.998 1.00 1.16 H new ATOM 439 N ALA A 28 8.309 12.718 5.762 1.00 0.62 N ATOM 440 CA ALA A 28 9.380 13.292 6.567 1.00 0.69 C ATOM 441 C ALA A 28 8.820 13.849 7.870 1.00 0.71 C ATOM 442 O ALA A 28 9.424 13.698 8.932 1.00 0.76 O ATOM 443 CB ALA A 28 10.112 14.379 5.788 1.00 0.76 C ATOM 0 H ALA A 28 8.185 13.164 4.853 1.00 0.62 H new ATOM 0 HA ALA A 28 10.095 12.505 6.806 1.00 0.69 H new ATOM 0 HB1 ALA A 28 10.908 14.796 6.405 1.00 0.76 H new ATOM 0 HB2 ALA A 28 10.542 13.951 4.882 1.00 0.76 H new ATOM 0 HB3 ALA A 28 9.411 15.169 5.519 1.00 0.76 H new ATOM 449 N LYS A 29 7.654 14.486 7.779 1.00 0.69 N ATOM 450 CA LYS A 29 6.998 15.045 8.954 1.00 0.73 C ATOM 451 C LYS A 29 6.665 13.926 9.932 1.00 0.72 C ATOM 452 O LYS A 29 6.953 14.025 11.128 1.00 0.81 O ATOM 453 CB LYS A 29 5.733 15.809 8.553 1.00 0.71 C ATOM 454 CG LYS A 29 6.021 17.125 7.848 1.00 0.75 C ATOM 455 CD LYS A 29 4.743 17.886 7.535 1.00 0.69 C ATOM 456 CE LYS A 29 5.030 19.329 7.145 1.00 0.68 C ATOM 457 NZ LYS A 29 5.740 19.434 5.841 1.00 0.89 N ATOM 0 H LYS A 29 7.147 14.626 6.905 1.00 0.69 H new ATOM 0 HA LYS A 29 7.674 15.749 9.439 1.00 0.73 H new ATOM 0 HB2 LYS A 29 5.129 15.180 7.899 1.00 0.71 H new ATOM 0 HB3 LYS A 29 5.138 16.006 9.445 1.00 0.71 H new ATOM 0 HG2 LYS A 29 6.667 17.740 8.475 1.00 0.75 H new ATOM 0 HG3 LYS A 29 6.565 16.931 6.924 1.00 0.75 H new ATOM 0 HD2 LYS A 29 4.212 17.388 6.724 1.00 0.69 H new ATOM 0 HD3 LYS A 29 4.086 17.868 8.404 1.00 0.69 H new ATOM 0 HE2 LYS A 29 4.092 19.881 7.090 1.00 0.68 H new ATOM 0 HE3 LYS A 29 5.632 19.800 7.922 1.00 0.68 H new ATOM 0 HZ1 LYS A 29 6.580 20.038 5.951 1.00 0.89 H new ATOM 0 HZ2 LYS A 29 6.033 18.487 5.528 1.00 0.89 H new ATOM 0 HZ3 LYS A 29 5.104 19.851 5.132 1.00 0.89 H new ATOM 471 N ILE A 30 6.030 12.872 9.420 1.00 0.64 N ATOM 472 CA ILE A 30 5.699 11.704 10.228 1.00 0.64 C ATOM 473 C ILE A 30 6.962 11.133 10.867 1.00 0.72 C ATOM 474 O ILE A 30 6.975 10.808 12.052 1.00 0.80 O ATOM 475 CB ILE A 30 5.007 10.615 9.379 1.00 0.54 C ATOM 476 CG1 ILE A 30 3.689 11.145 8.809 1.00 0.52 C ATOM 477 CG2 ILE A 30 4.767 9.361 10.210 1.00 0.58 C ATOM 478 CD1 ILE A 30 3.012 10.200 7.842 1.00 0.46 C ATOM 0 H ILE A 30 5.735 12.805 8.446 1.00 0.64 H new ATOM 0 HA ILE A 30 5.008 12.021 11.009 1.00 0.64 H new ATOM 0 HB ILE A 30 5.663 10.353 8.549 1.00 0.54 H new ATOM 0 HG12 ILE A 30 3.007 11.355 9.633 1.00 0.52 H new ATOM 0 HG13 ILE A 30 3.879 12.092 8.303 1.00 0.52 H new ATOM 0 HG21 ILE A 30 4.279 8.605 9.595 1.00 0.58 H new ATOM 0 HG22 ILE A 30 5.721 8.975 10.570 1.00 0.58 H new ATOM 0 HG23 ILE A 30 4.130 9.604 11.060 1.00 0.58 H new ATOM 0 HD11 ILE A 30 2.086 10.648 7.483 1.00 0.46 H new ATOM 0 HD12 ILE A 30 3.673 10.009 6.997 1.00 0.46 H new ATOM 0 HD13 ILE A 30 2.788 9.261 8.348 1.00 0.46 H new ATOM 490 N GLN A 31 8.013 11.002 10.063 1.00 0.71 N ATOM 491 CA GLN A 31 9.296 10.497 10.546 1.00 0.82 C ATOM 492 C GLN A 31 9.787 11.323 11.732 1.00 0.93 C ATOM 493 O GLN A 31 10.323 10.783 12.696 1.00 1.01 O ATOM 494 CB GLN A 31 10.343 10.516 9.432 1.00 0.84 C ATOM 495 CG GLN A 31 11.647 9.831 9.814 1.00 0.97 C ATOM 496 CD GLN A 31 12.785 10.187 8.888 1.00 1.04 C ATOM 497 OE1 GLN A 31 12.833 11.287 8.338 1.00 1.01 O ATOM 498 NE2 GLN A 31 13.710 9.261 8.710 1.00 1.18 N ATOM 0 H GLN A 31 8.002 11.239 9.071 1.00 0.71 H new ATOM 0 HA GLN A 31 9.149 9.467 10.869 1.00 0.82 H new ATOM 0 HB2 GLN A 31 9.931 10.029 8.548 1.00 0.84 H new ATOM 0 HB3 GLN A 31 10.552 11.550 9.158 1.00 0.84 H new ATOM 0 HG2 GLN A 31 11.913 10.109 10.834 1.00 0.97 H new ATOM 0 HG3 GLN A 31 11.501 8.751 9.805 1.00 0.97 H new ATOM 0 HE21 GLN A 31 13.630 8.362 9.186 1.00 1.18 H new ATOM 0 HE22 GLN A 31 14.504 9.445 8.096 1.00 1.18 H new ATOM 507 N ASP A 32 9.611 12.636 11.649 1.00 0.95 N ATOM 508 CA ASP A 32 10.020 13.533 12.723 1.00 1.08 C ATOM 509 C ASP A 32 9.141 13.345 13.953 1.00 1.10 C ATOM 510 O ASP A 32 9.633 13.292 15.081 1.00 1.19 O ATOM 511 CB ASP A 32 9.943 14.994 12.266 1.00 1.15 C ATOM 512 CG ASP A 32 11.208 15.472 11.580 1.00 1.10 C ATOM 513 OD1 ASP A 32 12.260 14.816 11.722 1.00 1.24 O ATOM 514 OD2 ASP A 32 11.162 16.525 10.903 1.00 1.51 O ATOM 0 H ASP A 32 9.187 13.104 10.848 1.00 0.95 H new ATOM 0 HA ASP A 32 11.051 13.289 12.981 1.00 1.08 H new ATOM 0 HB2 ASP A 32 9.101 15.111 11.584 1.00 1.15 H new ATOM 0 HB3 ASP A 32 9.744 15.628 13.130 1.00 1.15 H new ATOM 519 N LYS A 33 7.837 13.227 13.726 1.00 1.04 N ATOM 520 CA LYS A 33 6.875 13.075 14.810 1.00 1.08 C ATOM 521 C LYS A 33 6.783 11.627 15.307 1.00 1.05 C ATOM 522 O LYS A 33 7.414 11.271 16.299 1.00 1.11 O ATOM 523 CB LYS A 33 5.502 13.572 14.356 1.00 1.05 C ATOM 524 CG LYS A 33 4.545 13.852 15.501 1.00 1.11 C ATOM 525 CD LYS A 33 3.264 14.497 15.005 1.00 1.21 C ATOM 526 CE LYS A 33 2.395 14.959 16.161 1.00 1.50 C ATOM 527 NZ LYS A 33 1.135 15.595 15.696 1.00 1.79 N ATOM 0 H LYS A 33 7.421 13.234 12.795 1.00 1.04 H new ATOM 0 HA LYS A 33 7.223 13.678 15.649 1.00 1.08 H new ATOM 0 HB2 LYS A 33 5.630 14.482 13.771 1.00 1.05 H new ATOM 0 HB3 LYS A 33 5.056 12.828 13.695 1.00 1.05 H new ATOM 0 HG2 LYS A 33 4.310 12.921 16.017 1.00 1.11 H new ATOM 0 HG3 LYS A 33 5.026 14.506 16.228 1.00 1.11 H new ATOM 0 HD2 LYS A 33 3.506 15.347 14.367 1.00 1.21 H new ATOM 0 HD3 LYS A 33 2.710 13.786 14.392 1.00 1.21 H new ATOM 0 HE2 LYS A 33 2.157 14.107 16.797 1.00 1.50 H new ATOM 0 HE3 LYS A 33 2.953 15.667 16.773 1.00 1.50 H new ATOM 0 HZ1 LYS A 33 0.339 15.246 16.267 1.00 1.79 H new ATOM 0 HZ2 LYS A 33 1.209 16.627 15.799 1.00 1.79 H new ATOM 0 HZ3 LYS A 33 0.975 15.358 14.696 1.00 1.79 H new ATOM 541 N GLU A 34 5.993 10.799 14.619 1.00 0.98 N ATOM 542 CA GLU A 34 5.799 9.396 14.997 1.00 0.97 C ATOM 543 C GLU A 34 7.087 8.573 14.915 1.00 0.95 C ATOM 544 O GLU A 34 7.153 7.467 15.450 1.00 0.97 O ATOM 545 CB GLU A 34 4.740 8.760 14.096 1.00 0.89 C ATOM 546 CG GLU A 34 3.481 9.597 13.933 1.00 0.94 C ATOM 547 CD GLU A 34 2.592 9.564 15.157 1.00 1.18 C ATOM 548 OE1 GLU A 34 2.107 8.476 15.514 1.00 1.18 O ATOM 549 OE2 GLU A 34 2.375 10.634 15.771 1.00 1.56 O ATOM 0 H GLU A 34 5.472 11.080 13.788 1.00 0.98 H new ATOM 0 HA GLU A 34 5.474 9.392 16.037 1.00 0.97 H new ATOM 0 HB2 GLU A 34 5.175 8.581 13.113 1.00 0.89 H new ATOM 0 HB3 GLU A 34 4.467 7.787 14.505 1.00 0.89 H new ATOM 0 HG2 GLU A 34 3.761 10.629 13.721 1.00 0.94 H new ATOM 0 HG3 GLU A 34 2.919 9.236 13.072 1.00 0.94 H new ATOM 556 N GLY A 35 8.100 9.113 14.254 1.00 0.94 N ATOM 557 CA GLY A 35 9.363 8.409 14.124 1.00 0.94 C ATOM 558 C GLY A 35 9.297 7.215 13.190 1.00 0.88 C ATOM 559 O GLY A 35 10.012 6.231 13.387 1.00 0.92 O ATOM 0 H GLY A 35 8.072 10.028 13.804 1.00 0.94 H new ATOM 0 HA2 GLY A 35 10.121 9.103 13.761 1.00 0.94 H new ATOM 0 HA3 GLY A 35 9.685 8.072 15.109 1.00 0.94 H new ATOM 563 N ILE A 36 8.442 7.287 12.179 1.00 0.79 N ATOM 564 CA ILE A 36 8.306 6.198 11.217 1.00 0.73 C ATOM 565 C ILE A 36 9.063 6.523 9.929 1.00 0.69 C ATOM 566 O ILE A 36 8.841 7.572 9.325 1.00 0.63 O ATOM 567 CB ILE A 36 6.819 5.916 10.890 1.00 0.66 C ATOM 568 CG1 ILE A 36 6.035 5.655 12.181 1.00 0.77 C ATOM 569 CG2 ILE A 36 6.692 4.732 9.935 1.00 0.63 C ATOM 570 CD1 ILE A 36 4.541 5.513 11.971 1.00 0.76 C ATOM 0 H ILE A 36 7.833 8.086 12.002 1.00 0.79 H new ATOM 0 HA ILE A 36 8.734 5.304 11.671 1.00 0.73 H new ATOM 0 HB ILE A 36 6.399 6.794 10.399 1.00 0.66 H new ATOM 0 HG12 ILE A 36 6.415 4.746 12.648 1.00 0.77 H new ATOM 0 HG13 ILE A 36 6.218 6.473 12.878 1.00 0.77 H new ATOM 0 HG21 ILE A 36 5.639 4.551 9.718 1.00 0.63 H new ATOM 0 HG22 ILE A 36 7.220 4.954 9.008 1.00 0.63 H new ATOM 0 HG23 ILE A 36 7.126 3.845 10.396 1.00 0.63 H new ATOM 0 HD11 ILE A 36 4.055 5.330 12.929 1.00 0.76 H new ATOM 0 HD12 ILE A 36 4.146 6.430 11.533 1.00 0.76 H new ATOM 0 HD13 ILE A 36 4.346 4.677 11.300 1.00 0.76 H new ATOM 582 N PRO A 37 9.978 5.636 9.502 1.00 0.76 N ATOM 583 CA PRO A 37 10.770 5.833 8.278 1.00 0.77 C ATOM 584 C PRO A 37 9.896 5.982 7.030 1.00 0.66 C ATOM 585 O PRO A 37 9.012 5.161 6.785 1.00 0.58 O ATOM 586 CB PRO A 37 11.616 4.559 8.182 1.00 0.88 C ATOM 587 CG PRO A 37 11.642 4.006 9.564 1.00 0.97 C ATOM 588 CD PRO A 37 10.323 4.372 10.179 1.00 0.88 C ATOM 0 HA PRO A 37 11.358 6.749 8.326 1.00 0.77 H new ATOM 0 HB2 PRO A 37 11.179 3.848 7.481 1.00 0.88 H new ATOM 0 HB3 PRO A 37 12.623 4.780 7.827 1.00 0.88 H new ATOM 0 HG2 PRO A 37 11.779 2.925 9.549 1.00 0.97 H new ATOM 0 HG3 PRO A 37 12.469 4.425 10.137 1.00 0.97 H new ATOM 0 HD2 PRO A 37 9.570 3.603 10.006 1.00 0.88 H new ATOM 0 HD3 PRO A 37 10.403 4.502 11.258 1.00 0.88 H new ATOM 596 N PRO A 38 10.140 7.034 6.224 1.00 0.70 N ATOM 597 CA PRO A 38 9.377 7.306 4.993 1.00 0.66 C ATOM 598 C PRO A 38 9.388 6.133 4.018 1.00 0.65 C ATOM 599 O PRO A 38 8.383 5.846 3.361 1.00 0.62 O ATOM 600 CB PRO A 38 10.110 8.502 4.378 1.00 0.81 C ATOM 601 CG PRO A 38 10.783 9.162 5.529 1.00 0.91 C ATOM 602 CD PRO A 38 11.178 8.053 6.457 1.00 0.86 C ATOM 0 HA PRO A 38 8.324 7.487 5.208 1.00 0.66 H new ATOM 0 HB2 PRO A 38 10.832 8.181 3.627 1.00 0.81 H new ATOM 0 HB3 PRO A 38 9.416 9.181 3.883 1.00 0.81 H new ATOM 0 HG2 PRO A 38 11.655 9.728 5.201 1.00 0.91 H new ATOM 0 HG3 PRO A 38 10.114 9.866 6.023 1.00 0.91 H new ATOM 0 HD2 PRO A 38 12.174 7.673 6.229 1.00 0.86 H new ATOM 0 HD3 PRO A 38 11.193 8.383 7.496 1.00 0.86 H new ATOM 610 N ASP A 39 10.526 5.457 3.941 1.00 0.73 N ATOM 611 CA ASP A 39 10.690 4.312 3.049 1.00 0.79 C ATOM 612 C ASP A 39 9.759 3.169 3.444 1.00 0.74 C ATOM 613 O ASP A 39 9.390 2.341 2.611 1.00 0.81 O ATOM 614 CB ASP A 39 12.143 3.827 3.058 1.00 0.89 C ATOM 615 CG ASP A 39 12.595 3.348 4.423 1.00 1.84 C ATOM 616 OD1 ASP A 39 12.911 4.199 5.280 1.00 2.66 O ATOM 617 OD2 ASP A 39 12.646 2.118 4.644 1.00 2.29 O ATOM 0 H ASP A 39 11.356 5.682 4.489 1.00 0.73 H new ATOM 0 HA ASP A 39 10.430 4.636 2.041 1.00 0.79 H new ATOM 0 HB2 ASP A 39 12.255 3.016 2.338 1.00 0.89 H new ATOM 0 HB3 ASP A 39 12.794 4.637 2.729 1.00 0.89 H new ATOM 622 N GLN A 40 9.375 3.135 4.710 1.00 0.67 N ATOM 623 CA GLN A 40 8.490 2.096 5.214 1.00 0.70 C ATOM 624 C GLN A 40 7.050 2.603 5.318 1.00 0.60 C ATOM 625 O GLN A 40 6.177 1.929 5.865 1.00 0.67 O ATOM 626 CB GLN A 40 8.991 1.605 6.573 1.00 0.79 C ATOM 627 CG GLN A 40 10.090 0.560 6.468 1.00 0.95 C ATOM 628 CD GLN A 40 11.138 0.689 7.553 1.00 1.48 C ATOM 629 OE1 GLN A 40 10.979 0.168 8.657 1.00 2.10 O ATOM 630 NE2 GLN A 40 12.222 1.380 7.243 1.00 2.01 N ATOM 0 H GLN A 40 9.664 3.818 5.410 1.00 0.67 H new ATOM 0 HA GLN A 40 8.496 1.262 4.512 1.00 0.70 H new ATOM 0 HB2 GLN A 40 9.362 2.456 7.145 1.00 0.79 H new ATOM 0 HB3 GLN A 40 8.154 1.187 7.131 1.00 0.79 H new ATOM 0 HG2 GLN A 40 9.644 -0.433 6.518 1.00 0.95 H new ATOM 0 HG3 GLN A 40 10.572 0.645 5.494 1.00 0.95 H new ATOM 0 HE21 GLN A 40 12.314 1.796 6.316 1.00 2.01 H new ATOM 0 HE22 GLN A 40 12.966 1.497 7.931 1.00 2.01 H new ATOM 639 N GLN A 41 6.805 3.786 4.771 1.00 0.51 N ATOM 640 CA GLN A 41 5.475 4.380 4.805 1.00 0.44 C ATOM 641 C GLN A 41 4.745 4.154 3.489 1.00 0.45 C ATOM 642 O GLN A 41 5.287 4.407 2.409 1.00 0.51 O ATOM 643 CB GLN A 41 5.557 5.880 5.077 1.00 0.40 C ATOM 644 CG GLN A 41 6.012 6.240 6.479 1.00 0.41 C ATOM 645 CD GLN A 41 5.959 7.732 6.721 1.00 0.40 C ATOM 646 OE1 GLN A 41 5.104 8.424 6.176 1.00 0.37 O ATOM 647 NE2 GLN A 41 6.877 8.245 7.521 1.00 0.46 N ATOM 0 H GLN A 41 7.509 4.353 4.299 1.00 0.51 H new ATOM 0 HA GLN A 41 4.923 3.896 5.611 1.00 0.44 H new ATOM 0 HB2 GLN A 41 6.243 6.330 4.359 1.00 0.40 H new ATOM 0 HB3 GLN A 41 4.576 6.323 4.902 1.00 0.40 H new ATOM 0 HG2 GLN A 41 5.381 5.731 7.208 1.00 0.41 H new ATOM 0 HG3 GLN A 41 7.030 5.883 6.634 1.00 0.41 H new ATOM 0 HE21 GLN A 41 7.571 7.638 7.956 1.00 0.46 H new ATOM 0 HE22 GLN A 41 6.891 9.248 7.704 1.00 0.46 H new ATOM 656 N ARG A 42 3.523 3.660 3.579 1.00 0.46 N ATOM 657 CA ARG A 42 2.705 3.424 2.399 1.00 0.52 C ATOM 658 C ARG A 42 1.437 4.266 2.482 1.00 0.50 C ATOM 659 O ARG A 42 0.495 3.917 3.192 1.00 0.53 O ATOM 660 CB ARG A 42 2.359 1.937 2.270 1.00 0.63 C ATOM 661 CG ARG A 42 3.563 1.045 1.993 1.00 0.69 C ATOM 662 CD ARG A 42 4.270 1.442 0.704 1.00 0.75 C ATOM 663 NE ARG A 42 5.461 0.635 0.457 1.00 0.87 N ATOM 664 CZ ARG A 42 6.705 1.049 0.693 1.00 0.92 C ATOM 665 NH1 ARG A 42 6.924 2.239 1.239 1.00 0.94 N ATOM 666 NH2 ARG A 42 7.730 0.266 0.386 1.00 1.11 N ATOM 0 H ARG A 42 3.072 3.413 4.460 1.00 0.46 H new ATOM 0 HA ARG A 42 3.268 3.715 1.512 1.00 0.52 H new ATOM 0 HB2 ARG A 42 1.877 1.605 3.190 1.00 0.63 H new ATOM 0 HB3 ARG A 42 1.633 1.811 1.466 1.00 0.63 H new ATOM 0 HG2 ARG A 42 4.263 1.108 2.827 1.00 0.69 H new ATOM 0 HG3 ARG A 42 3.239 0.006 1.926 1.00 0.69 H new ATOM 0 HD2 ARG A 42 3.581 1.336 -0.134 1.00 0.75 H new ATOM 0 HD3 ARG A 42 4.550 2.494 0.755 1.00 0.75 H new ATOM 0 HE ARG A 42 5.333 -0.304 0.080 1.00 0.87 H new ATOM 0 HH11 ARG A 42 6.137 2.842 1.480 1.00 0.94 H new ATOM 0 HH12 ARG A 42 7.879 2.550 1.417 1.00 0.94 H new ATOM 0 HH21 ARG A 42 7.565 -0.651 -0.030 1.00 1.11 H new ATOM 0 HH22 ARG A 42 8.684 0.580 0.566 1.00 1.11 H new ATOM 680 N LEU A 43 1.438 5.389 1.774 1.00 0.47 N ATOM 681 CA LEU A 43 0.302 6.301 1.774 1.00 0.46 C ATOM 682 C LEU A 43 -0.750 5.892 0.751 1.00 0.49 C ATOM 683 O LEU A 43 -0.468 5.766 -0.444 1.00 0.65 O ATOM 684 CB LEU A 43 0.773 7.731 1.505 1.00 0.47 C ATOM 685 CG LEU A 43 1.297 8.475 2.733 1.00 0.64 C ATOM 686 CD1 LEU A 43 2.174 9.643 2.317 1.00 0.98 C ATOM 687 CD2 LEU A 43 0.142 8.966 3.594 1.00 1.14 C ATOM 0 H LEU A 43 2.218 5.691 1.190 1.00 0.47 H new ATOM 0 HA LEU A 43 -0.160 6.254 2.760 1.00 0.46 H new ATOM 0 HB2 LEU A 43 1.560 7.704 0.751 1.00 0.47 H new ATOM 0 HB3 LEU A 43 -0.056 8.298 1.080 1.00 0.47 H new ATOM 0 HG LEU A 43 1.898 7.781 3.320 1.00 0.64 H new ATOM 0 HD11 LEU A 43 2.537 10.160 3.205 1.00 0.98 H new ATOM 0 HD12 LEU A 43 3.022 9.274 1.740 1.00 0.98 H new ATOM 0 HD13 LEU A 43 1.593 10.335 1.707 1.00 0.98 H new ATOM 0 HD21 LEU A 43 0.535 9.493 4.463 1.00 1.14 H new ATOM 0 HD22 LEU A 43 -0.484 9.642 3.012 1.00 1.14 H new ATOM 0 HD23 LEU A 43 -0.453 8.115 3.924 1.00 1.14 H new ATOM 699 N ILE A 44 -1.961 5.686 1.240 1.00 0.55 N ATOM 700 CA ILE A 44 -3.088 5.293 0.415 1.00 0.63 C ATOM 701 C ILE A 44 -4.179 6.360 0.470 1.00 0.63 C ATOM 702 O ILE A 44 -4.551 6.827 1.547 1.00 0.92 O ATOM 703 CB ILE A 44 -3.657 3.934 0.886 1.00 0.95 C ATOM 704 CG1 ILE A 44 -2.664 2.808 0.585 1.00 1.33 C ATOM 705 CG2 ILE A 44 -5.006 3.641 0.243 1.00 1.57 C ATOM 706 CD1 ILE A 44 -3.040 1.483 1.212 1.00 1.75 C ATOM 0 H ILE A 44 -2.190 5.788 2.229 1.00 0.55 H new ATOM 0 HA ILE A 44 -2.742 5.190 -0.614 1.00 0.63 H new ATOM 0 HB ILE A 44 -3.809 3.991 1.964 1.00 0.95 H new ATOM 0 HG12 ILE A 44 -2.589 2.681 -0.495 1.00 1.33 H new ATOM 0 HG13 ILE A 44 -1.676 3.101 0.941 1.00 1.33 H new ATOM 0 HG21 ILE A 44 -5.376 2.679 0.596 1.00 1.57 H new ATOM 0 HG22 ILE A 44 -5.715 4.424 0.512 1.00 1.57 H new ATOM 0 HG23 ILE A 44 -4.894 3.611 -0.841 1.00 1.57 H new ATOM 0 HD11 ILE A 44 -2.291 0.734 0.956 1.00 1.75 H new ATOM 0 HD12 ILE A 44 -3.087 1.593 2.295 1.00 1.75 H new ATOM 0 HD13 ILE A 44 -4.013 1.166 0.837 1.00 1.75 H new ATOM 718 N PHE A 45 -4.682 6.752 -0.686 1.00 0.58 N ATOM 719 CA PHE A 45 -5.723 7.760 -0.757 1.00 0.72 C ATOM 720 C PHE A 45 -6.931 7.218 -1.503 1.00 0.86 C ATOM 721 O PHE A 45 -6.842 6.877 -2.684 1.00 0.83 O ATOM 722 CB PHE A 45 -5.206 9.026 -1.444 1.00 0.77 C ATOM 723 CG PHE A 45 -6.097 10.223 -1.253 1.00 1.02 C ATOM 724 CD1 PHE A 45 -6.293 10.763 0.008 1.00 0.98 C ATOM 725 CD2 PHE A 45 -6.738 10.809 -2.335 1.00 1.68 C ATOM 726 CE1 PHE A 45 -7.110 11.864 0.188 1.00 1.21 C ATOM 727 CE2 PHE A 45 -7.556 11.909 -2.162 1.00 1.95 C ATOM 728 CZ PHE A 45 -7.742 12.437 -0.899 1.00 1.59 C ATOM 0 H PHE A 45 -4.385 6.386 -1.591 1.00 0.58 H new ATOM 0 HA PHE A 45 -6.020 8.016 0.260 1.00 0.72 H new ATOM 0 HB2 PHE A 45 -4.213 9.258 -1.059 1.00 0.77 H new ATOM 0 HB3 PHE A 45 -5.097 8.831 -2.511 1.00 0.77 H new ATOM 0 HD1 PHE A 45 -5.802 10.318 0.861 1.00 0.98 H new ATOM 0 HD2 PHE A 45 -6.596 10.400 -3.325 1.00 1.68 H new ATOM 0 HE1 PHE A 45 -7.254 12.275 1.176 1.00 1.21 H new ATOM 0 HE2 PHE A 45 -8.049 12.355 -3.013 1.00 1.95 H new ATOM 0 HZ PHE A 45 -8.381 13.297 -0.761 1.00 1.59 H new ATOM 738 N ALA A 46 -8.043 7.105 -0.784 1.00 1.21 N ATOM 739 CA ALA A 46 -9.304 6.618 -1.339 1.00 1.45 C ATOM 740 C ALA A 46 -9.189 5.196 -1.881 1.00 1.26 C ATOM 741 O ALA A 46 -9.984 4.783 -2.731 1.00 1.24 O ATOM 742 CB ALA A 46 -9.806 7.562 -2.423 1.00 1.65 C ATOM 0 H ALA A 46 -8.097 7.349 0.205 1.00 1.21 H new ATOM 0 HA ALA A 46 -10.026 6.592 -0.523 1.00 1.45 H new ATOM 0 HB1 ALA A 46 -10.746 7.186 -2.827 1.00 1.65 H new ATOM 0 HB2 ALA A 46 -9.965 8.553 -1.998 1.00 1.65 H new ATOM 0 HB3 ALA A 46 -9.067 7.624 -3.222 1.00 1.65 H new ATOM 748 N GLY A 47 -8.211 4.441 -1.393 1.00 1.29 N ATOM 749 CA GLY A 47 -8.041 3.075 -1.848 1.00 1.38 C ATOM 750 C GLY A 47 -6.842 2.909 -2.763 1.00 1.26 C ATOM 751 O GLY A 47 -6.288 1.817 -2.881 1.00 1.51 O ATOM 0 H GLY A 47 -7.536 4.749 -0.693 1.00 1.29 H new ATOM 0 HA2 GLY A 47 -7.928 2.420 -0.984 1.00 1.38 H new ATOM 0 HA3 GLY A 47 -8.941 2.756 -2.374 1.00 1.38 H new ATOM 755 N LYS A 48 -6.428 3.997 -3.394 1.00 1.08 N ATOM 756 CA LYS A 48 -5.300 3.967 -4.315 1.00 1.25 C ATOM 757 C LYS A 48 -4.022 4.353 -3.580 1.00 1.05 C ATOM 758 O LYS A 48 -4.081 4.930 -2.502 1.00 1.03 O ATOM 759 CB LYS A 48 -5.552 4.909 -5.503 1.00 1.51 C ATOM 760 CG LYS A 48 -6.776 4.535 -6.338 1.00 1.98 C ATOM 761 CD LYS A 48 -8.072 5.017 -5.698 1.00 2.33 C ATOM 762 CE LYS A 48 -9.291 4.315 -6.284 1.00 2.71 C ATOM 763 NZ LYS A 48 -10.537 4.664 -5.552 1.00 3.64 N ATOM 0 H LYS A 48 -6.858 4.916 -3.285 1.00 1.08 H new ATOM 0 HA LYS A 48 -5.186 2.955 -4.705 1.00 1.25 H new ATOM 0 HB2 LYS A 48 -5.676 5.925 -5.129 1.00 1.51 H new ATOM 0 HB3 LYS A 48 -4.672 4.911 -6.146 1.00 1.51 H new ATOM 0 HG2 LYS A 48 -6.681 4.967 -7.334 1.00 1.98 H new ATOM 0 HG3 LYS A 48 -6.813 3.453 -6.462 1.00 1.98 H new ATOM 0 HD2 LYS A 48 -8.033 4.841 -4.623 1.00 2.33 H new ATOM 0 HD3 LYS A 48 -8.169 6.093 -5.841 1.00 2.33 H new ATOM 0 HE2 LYS A 48 -9.398 4.589 -7.334 1.00 2.71 H new ATOM 0 HE3 LYS A 48 -9.140 3.236 -6.250 1.00 2.71 H new ATOM 0 HZ1 LYS A 48 -11.262 3.942 -5.738 1.00 3.64 H new ATOM 0 HZ2 LYS A 48 -10.341 4.703 -4.531 1.00 3.64 H new ATOM 0 HZ3 LYS A 48 -10.881 5.591 -5.874 1.00 3.64 H new ATOM 777 N GLN A 49 -2.870 4.049 -4.158 1.00 0.98 N ATOM 778 CA GLN A 49 -1.603 4.361 -3.506 1.00 0.86 C ATOM 779 C GLN A 49 -0.888 5.506 -4.215 1.00 0.85 C ATOM 780 O GLN A 49 -0.854 5.561 -5.445 1.00 0.98 O ATOM 781 CB GLN A 49 -0.708 3.122 -3.461 1.00 1.01 C ATOM 782 CG GLN A 49 0.423 3.229 -2.452 1.00 1.26 C ATOM 783 CD GLN A 49 0.664 1.938 -1.693 1.00 1.41 C ATOM 784 OE1 GLN A 49 1.802 1.588 -1.394 1.00 1.50 O ATOM 785 NE2 GLN A 49 -0.405 1.228 -1.367 1.00 2.20 N ATOM 0 H GLN A 49 -2.784 3.592 -5.066 1.00 0.98 H new ATOM 0 HA GLN A 49 -1.818 4.677 -2.485 1.00 0.86 H new ATOM 0 HB2 GLN A 49 -1.318 2.251 -3.221 1.00 1.01 H new ATOM 0 HB3 GLN A 49 -0.286 2.952 -4.452 1.00 1.01 H new ATOM 0 HG2 GLN A 49 1.338 3.516 -2.970 1.00 1.26 H new ATOM 0 HG3 GLN A 49 0.195 4.024 -1.742 1.00 1.26 H new ATOM 0 HE21 GLN A 49 -1.334 1.553 -1.634 1.00 2.20 H new ATOM 0 HE22 GLN A 49 -0.299 0.356 -0.849 1.00 2.20 H new ATOM 794 N LEU A 50 -0.313 6.409 -3.428 1.00 0.77 N ATOM 795 CA LEU A 50 0.394 7.567 -3.963 1.00 0.82 C ATOM 796 C LEU A 50 1.888 7.290 -4.071 1.00 0.89 C ATOM 797 O LEU A 50 2.414 6.417 -3.378 1.00 0.93 O ATOM 798 CB LEU A 50 0.165 8.783 -3.063 1.00 0.75 C ATOM 799 CG LEU A 50 -1.244 8.907 -2.474 1.00 0.73 C ATOM 800 CD1 LEU A 50 -1.302 10.058 -1.483 1.00 1.01 C ATOM 801 CD2 LEU A 50 -2.269 9.103 -3.581 1.00 0.87 C ATOM 0 H LEU A 50 -0.323 6.360 -2.409 1.00 0.77 H new ATOM 0 HA LEU A 50 0.003 7.771 -4.960 1.00 0.82 H new ATOM 0 HB2 LEU A 50 0.882 8.747 -2.243 1.00 0.75 H new ATOM 0 HB3 LEU A 50 0.382 9.684 -3.636 1.00 0.75 H new ATOM 0 HG LEU A 50 -1.482 7.983 -1.946 1.00 0.73 H new ATOM 0 HD11 LEU A 50 -2.309 10.134 -1.073 1.00 1.01 H new ATOM 0 HD12 LEU A 50 -0.593 9.878 -0.675 1.00 1.01 H new ATOM 0 HD13 LEU A 50 -1.046 10.988 -1.990 1.00 1.01 H new ATOM 0 HD21 LEU A 50 -3.264 9.189 -3.144 1.00 0.87 H new ATOM 0 HD22 LEU A 50 -2.036 10.012 -4.136 1.00 0.87 H new ATOM 0 HD23 LEU A 50 -2.242 8.248 -4.257 1.00 0.87 H new ATOM 813 N GLU A 51 2.564 8.024 -4.945 1.00 0.95 N ATOM 814 CA GLU A 51 3.996 7.856 -5.126 1.00 1.07 C ATOM 815 C GLU A 51 4.761 9.094 -4.658 1.00 0.91 C ATOM 816 O GLU A 51 4.252 10.217 -4.719 1.00 0.89 O ATOM 817 CB GLU A 51 4.325 7.574 -6.591 1.00 1.37 C ATOM 818 CG GLU A 51 5.379 6.493 -6.781 1.00 1.59 C ATOM 819 CD GLU A 51 4.851 5.104 -6.483 1.00 1.84 C ATOM 820 OE1 GLU A 51 4.063 4.578 -7.294 1.00 1.95 O ATOM 821 OE2 GLU A 51 5.233 4.522 -5.449 1.00 2.64 O ATOM 0 H GLU A 51 2.143 8.740 -5.538 1.00 0.95 H new ATOM 0 HA GLU A 51 4.306 7.005 -4.519 1.00 1.07 H new ATOM 0 HB2 GLU A 51 3.413 7.276 -7.109 1.00 1.37 H new ATOM 0 HB3 GLU A 51 4.672 8.494 -7.061 1.00 1.37 H new ATOM 0 HG2 GLU A 51 5.746 6.525 -7.807 1.00 1.59 H new ATOM 0 HG3 GLU A 51 6.229 6.702 -6.131 1.00 1.59 H new ATOM 828 N ASP A 52 5.980 8.869 -4.189 1.00 0.89 N ATOM 829 CA ASP A 52 6.850 9.942 -3.711 1.00 0.90 C ATOM 830 C ASP A 52 7.390 10.762 -4.880 1.00 1.06 C ATOM 831 O ASP A 52 8.565 10.655 -5.234 1.00 1.66 O ATOM 832 CB ASP A 52 8.028 9.365 -2.913 1.00 0.94 C ATOM 833 CG ASP A 52 7.659 8.983 -1.495 1.00 1.07 C ATOM 834 OD1 ASP A 52 6.687 8.224 -1.316 1.00 1.32 O ATOM 835 OD2 ASP A 52 8.359 9.418 -0.553 1.00 1.51 O ATOM 0 H ASP A 52 6.396 7.940 -4.128 1.00 0.89 H new ATOM 0 HA ASP A 52 6.257 10.588 -3.064 1.00 0.90 H new ATOM 0 HB2 ASP A 52 8.413 8.486 -3.430 1.00 0.94 H new ATOM 0 HB3 ASP A 52 8.834 10.098 -2.887 1.00 0.94 H new ATOM 840 N GLY A 53 6.536 11.565 -5.498 1.00 1.02 N ATOM 841 CA GLY A 53 6.981 12.377 -6.615 1.00 1.10 C ATOM 842 C GLY A 53 6.062 13.541 -6.926 1.00 1.05 C ATOM 843 O GLY A 53 6.379 14.368 -7.779 1.00 1.14 O ATOM 0 H GLY A 53 5.552 11.670 -5.250 1.00 1.02 H new ATOM 0 HA2 GLY A 53 7.978 12.760 -6.399 1.00 1.10 H new ATOM 0 HA3 GLY A 53 7.066 11.746 -7.500 1.00 1.10 H new ATOM 847 N ARG A 54 4.919 13.609 -6.254 1.00 0.93 N ATOM 848 CA ARG A 54 3.966 14.691 -6.487 1.00 0.91 C ATOM 849 C ARG A 54 3.588 15.360 -5.169 1.00 0.83 C ATOM 850 O ARG A 54 4.138 15.025 -4.116 1.00 0.82 O ATOM 851 CB ARG A 54 2.709 14.169 -7.191 1.00 0.93 C ATOM 852 CG ARG A 54 2.976 13.492 -8.531 1.00 1.03 C ATOM 853 CD ARG A 54 3.676 14.419 -9.517 1.00 1.30 C ATOM 854 NE ARG A 54 2.842 15.559 -9.897 1.00 1.89 N ATOM 855 CZ ARG A 54 3.127 16.389 -10.898 1.00 2.64 C ATOM 856 NH1 ARG A 54 4.234 16.222 -11.614 1.00 2.91 N ATOM 857 NH2 ARG A 54 2.306 17.392 -11.178 1.00 3.46 N ATOM 0 H ARG A 54 4.629 12.933 -5.547 1.00 0.93 H new ATOM 0 HA ARG A 54 4.442 15.428 -7.134 1.00 0.91 H new ATOM 0 HB2 ARG A 54 2.206 13.460 -6.533 1.00 0.93 H new ATOM 0 HB3 ARG A 54 2.023 15.001 -7.348 1.00 0.93 H new ATOM 0 HG2 ARG A 54 3.589 12.605 -8.372 1.00 1.03 H new ATOM 0 HG3 ARG A 54 2.032 13.155 -8.960 1.00 1.03 H new ATOM 0 HD2 ARG A 54 4.604 14.782 -9.075 1.00 1.30 H new ATOM 0 HD3 ARG A 54 3.948 13.857 -10.410 1.00 1.30 H new ATOM 0 HE ARG A 54 1.990 15.728 -9.362 1.00 1.89 H new ATOM 0 HH11 ARG A 54 4.870 15.455 -11.398 1.00 2.91 H new ATOM 0 HH12 ARG A 54 4.447 16.861 -12.380 1.00 2.91 H new ATOM 0 HH21 ARG A 54 1.458 17.526 -10.627 1.00 3.46 H new ATOM 0 HH22 ARG A 54 2.522 18.029 -11.944 1.00 3.46 H new ATOM 871 N THR A 55 2.643 16.291 -5.226 1.00 0.80 N ATOM 872 CA THR A 55 2.200 17.004 -4.038 1.00 0.76 C ATOM 873 C THR A 55 0.766 16.629 -3.684 1.00 0.71 C ATOM 874 O THR A 55 0.091 15.931 -4.443 1.00 0.73 O ATOM 875 CB THR A 55 2.298 18.533 -4.230 1.00 0.81 C ATOM 876 OG1 THR A 55 1.551 18.943 -5.384 1.00 1.06 O ATOM 877 CG2 THR A 55 3.748 18.969 -4.384 1.00 0.96 C ATOM 0 H THR A 55 2.169 16.569 -6.085 1.00 0.80 H new ATOM 0 HA THR A 55 2.860 16.711 -3.221 1.00 0.76 H new ATOM 0 HB THR A 55 1.879 19.008 -3.343 1.00 0.81 H new ATOM 0 HG1 THR A 55 1.921 18.513 -6.183 1.00 1.06 H new ATOM 0 HG21 THR A 55 3.791 20.050 -4.518 1.00 0.96 H new ATOM 0 HG22 THR A 55 4.308 18.692 -3.491 1.00 0.96 H new ATOM 0 HG23 THR A 55 4.185 18.478 -5.254 1.00 0.96 H new ATOM 885 N LEU A 56 0.315 17.081 -2.523 1.00 0.68 N ATOM 886 CA LEU A 56 -1.040 16.802 -2.062 1.00 0.67 C ATOM 887 C LEU A 56 -2.091 17.302 -3.053 1.00 0.70 C ATOM 888 O LEU A 56 -3.021 16.571 -3.397 1.00 0.71 O ATOM 889 CB LEU A 56 -1.272 17.421 -0.682 1.00 0.68 C ATOM 890 CG LEU A 56 -1.175 16.434 0.485 1.00 0.76 C ATOM 891 CD1 LEU A 56 0.206 15.806 0.546 1.00 1.34 C ATOM 892 CD2 LEU A 56 -1.507 17.122 1.798 1.00 1.26 C ATOM 0 H LEU A 56 0.870 17.645 -1.879 1.00 0.68 H new ATOM 0 HA LEU A 56 -1.146 15.720 -1.989 1.00 0.67 H new ATOM 0 HB2 LEU A 56 -0.544 18.217 -0.529 1.00 0.68 H new ATOM 0 HB3 LEU A 56 -2.259 17.884 -0.668 1.00 0.68 H new ATOM 0 HG LEU A 56 -1.904 15.640 0.320 1.00 0.76 H new ATOM 0 HD11 LEU A 56 0.252 15.109 1.382 1.00 1.34 H new ATOM 0 HD12 LEU A 56 0.404 15.272 -0.383 1.00 1.34 H new ATOM 0 HD13 LEU A 56 0.955 16.586 0.683 1.00 1.34 H new ATOM 0 HD21 LEU A 56 -1.432 16.404 2.614 1.00 1.26 H new ATOM 0 HD22 LEU A 56 -0.806 17.939 1.968 1.00 1.26 H new ATOM 0 HD23 LEU A 56 -2.522 17.518 1.755 1.00 1.26 H new ATOM 904 N SER A 57 -1.927 18.532 -3.534 1.00 0.74 N ATOM 905 CA SER A 57 -2.865 19.123 -4.486 1.00 0.79 C ATOM 906 C SER A 57 -2.906 18.348 -5.807 1.00 0.82 C ATOM 907 O SER A 57 -3.837 18.498 -6.600 1.00 0.84 O ATOM 908 CB SER A 57 -2.482 20.581 -4.737 1.00 0.86 C ATOM 909 OG SER A 57 -1.081 20.762 -4.620 1.00 0.95 O ATOM 0 H SER A 57 -1.150 19.141 -3.279 1.00 0.74 H new ATOM 0 HA SER A 57 -3.864 19.072 -4.053 1.00 0.79 H new ATOM 0 HB2 SER A 57 -2.810 20.881 -5.732 1.00 0.86 H new ATOM 0 HB3 SER A 57 -2.997 21.225 -4.024 1.00 0.86 H new ATOM 0 HG SER A 57 -0.857 20.991 -3.694 1.00 0.95 H new ATOM 915 N ASP A 58 -1.909 17.500 -6.027 1.00 0.83 N ATOM 916 CA ASP A 58 -1.837 16.705 -7.247 1.00 0.88 C ATOM 917 C ASP A 58 -2.851 15.577 -7.191 1.00 0.88 C ATOM 918 O ASP A 58 -3.492 15.247 -8.189 1.00 0.94 O ATOM 919 CB ASP A 58 -0.443 16.102 -7.429 1.00 0.89 C ATOM 920 CG ASP A 58 0.529 17.034 -8.116 1.00 0.87 C ATOM 921 OD1 ASP A 58 0.329 17.338 -9.307 1.00 1.03 O ATOM 922 OD2 ASP A 58 1.520 17.437 -7.473 1.00 1.03 O ATOM 0 H ASP A 58 -1.139 17.345 -5.376 1.00 0.83 H new ATOM 0 HA ASP A 58 -2.053 17.364 -8.088 1.00 0.88 H new ATOM 0 HB2 ASP A 58 -0.044 15.828 -6.453 1.00 0.89 H new ATOM 0 HB3 ASP A 58 -0.526 15.183 -8.009 1.00 0.89 H new ATOM 927 N TYR A 59 -3.004 15.004 -6.007 1.00 0.84 N ATOM 928 CA TYR A 59 -3.923 13.895 -5.807 1.00 0.87 C ATOM 929 C TYR A 59 -5.255 14.352 -5.225 1.00 0.86 C ATOM 930 O TYR A 59 -6.011 13.535 -4.703 1.00 0.89 O ATOM 931 CB TYR A 59 -3.289 12.846 -4.893 1.00 0.81 C ATOM 932 CG TYR A 59 -2.116 12.124 -5.514 1.00 0.82 C ATOM 933 CD1 TYR A 59 -2.303 11.224 -6.557 1.00 0.90 C ATOM 934 CD2 TYR A 59 -0.821 12.334 -5.055 1.00 0.84 C ATOM 935 CE1 TYR A 59 -1.235 10.555 -7.124 1.00 0.98 C ATOM 936 CE2 TYR A 59 0.253 11.670 -5.618 1.00 0.91 C ATOM 937 CZ TYR A 59 0.041 10.783 -6.651 1.00 0.98 C ATOM 938 OH TYR A 59 1.107 10.118 -7.209 1.00 1.11 O ATOM 0 H TYR A 59 -2.501 15.290 -5.167 1.00 0.84 H new ATOM 0 HA TYR A 59 -4.123 13.458 -6.785 1.00 0.87 H new ATOM 0 HB2 TYR A 59 -2.960 13.330 -3.974 1.00 0.81 H new ATOM 0 HB3 TYR A 59 -4.048 12.115 -4.614 1.00 0.81 H new ATOM 0 HD1 TYR A 59 -3.300 11.045 -6.931 1.00 0.90 H new ATOM 0 HD2 TYR A 59 -0.651 13.028 -4.245 1.00 0.84 H new ATOM 0 HE1 TYR A 59 -1.398 9.858 -7.933 1.00 0.98 H new ATOM 0 HE2 TYR A 59 1.253 11.846 -5.250 1.00 0.91 H new ATOM 0 HH TYR A 59 1.935 10.393 -6.762 1.00 1.11 H new ATOM 948 N ASN A 60 -5.545 15.648 -5.334 1.00 0.86 N ATOM 949 CA ASN A 60 -6.797 16.223 -4.828 1.00 0.87 C ATOM 950 C ASN A 60 -6.881 16.145 -3.301 1.00 0.80 C ATOM 951 O ASN A 60 -7.962 16.002 -2.730 1.00 0.81 O ATOM 952 CB ASN A 60 -8.014 15.535 -5.467 1.00 0.95 C ATOM 953 CG ASN A 60 -9.288 16.352 -5.336 1.00 1.00 C ATOM 954 OD1 ASN A 60 -9.264 17.584 -5.385 1.00 0.99 O ATOM 955 ND2 ASN A 60 -10.412 15.669 -5.157 1.00 1.07 N ATOM 0 H ASN A 60 -4.924 16.328 -5.773 1.00 0.86 H new ATOM 0 HA ASN A 60 -6.805 17.276 -5.108 1.00 0.87 H new ATOM 0 HB2 ASN A 60 -7.811 15.354 -6.522 1.00 0.95 H new ATOM 0 HB3 ASN A 60 -8.162 14.562 -5.000 1.00 0.95 H new ATOM 0 HD21 ASN A 60 -11.298 16.163 -5.054 1.00 1.07 H new ATOM 0 HD22 ASN A 60 -10.389 14.650 -5.122 1.00 1.07 H new ATOM 962 N ILE A 61 -5.736 16.248 -2.643 1.00 0.75 N ATOM 963 CA ILE A 61 -5.689 16.212 -1.190 1.00 0.70 C ATOM 964 C ILE A 61 -5.645 17.635 -0.647 1.00 0.72 C ATOM 965 O ILE A 61 -4.852 18.455 -1.110 1.00 0.76 O ATOM 966 CB ILE A 61 -4.465 15.423 -0.678 1.00 0.66 C ATOM 967 CG1 ILE A 61 -4.348 14.086 -1.413 1.00 0.66 C ATOM 968 CG2 ILE A 61 -4.573 15.192 0.824 1.00 0.63 C ATOM 969 CD1 ILE A 61 -3.017 13.395 -1.210 1.00 0.63 C ATOM 0 H ILE A 61 -4.827 16.357 -3.093 1.00 0.75 H new ATOM 0 HA ILE A 61 -6.586 15.704 -0.837 1.00 0.70 H new ATOM 0 HB ILE A 61 -3.568 16.009 -0.876 1.00 0.66 H new ATOM 0 HG12 ILE A 61 -5.146 13.425 -1.075 1.00 0.66 H new ATOM 0 HG13 ILE A 61 -4.502 14.253 -2.479 1.00 0.66 H new ATOM 0 HG21 ILE A 61 -3.703 14.634 1.170 1.00 0.63 H new ATOM 0 HG22 ILE A 61 -4.616 16.152 1.338 1.00 0.63 H new ATOM 0 HG23 ILE A 61 -5.477 14.624 1.041 1.00 0.63 H new ATOM 0 HD11 ILE A 61 -3.008 12.454 -1.761 1.00 0.63 H new ATOM 0 HD12 ILE A 61 -2.215 14.037 -1.574 1.00 0.63 H new ATOM 0 HD13 ILE A 61 -2.869 13.196 -0.149 1.00 0.63 H new ATOM 981 N GLN A 62 -6.496 17.926 0.327 1.00 0.72 N ATOM 982 CA GLN A 62 -6.568 19.261 0.906 1.00 0.75 C ATOM 983 C GLN A 62 -6.691 19.182 2.425 1.00 0.73 C ATOM 984 O GLN A 62 -6.356 18.163 3.030 1.00 0.70 O ATOM 985 CB GLN A 62 -7.760 20.026 0.321 1.00 0.82 C ATOM 986 CG GLN A 62 -7.706 20.184 -1.193 1.00 0.86 C ATOM 987 CD GLN A 62 -8.916 20.910 -1.745 1.00 0.98 C ATOM 988 OE1 GLN A 62 -9.504 21.759 -1.075 1.00 1.04 O ATOM 989 NE2 GLN A 62 -9.292 20.592 -2.971 1.00 1.14 N ATOM 0 H GLN A 62 -7.147 17.255 0.734 1.00 0.72 H new ATOM 0 HA GLN A 62 -5.649 19.793 0.660 1.00 0.75 H new ATOM 0 HB2 GLN A 62 -8.680 19.507 0.590 1.00 0.82 H new ATOM 0 HB3 GLN A 62 -7.806 21.014 0.779 1.00 0.82 H new ATOM 0 HG2 GLN A 62 -6.803 20.730 -1.466 1.00 0.86 H new ATOM 0 HG3 GLN A 62 -7.635 19.199 -1.655 1.00 0.86 H new ATOM 0 HE21 GLN A 62 -8.778 19.883 -3.494 1.00 1.14 H new ATOM 0 HE22 GLN A 62 -10.096 21.056 -3.394 1.00 1.14 H new ATOM 998 N LYS A 63 -7.146 20.265 3.041 1.00 0.78 N ATOM 999 CA LYS A 63 -7.317 20.306 4.484 1.00 0.81 C ATOM 1000 C LYS A 63 -8.420 19.354 4.936 1.00 0.84 C ATOM 1001 O LYS A 63 -9.367 19.082 4.189 1.00 0.88 O ATOM 1002 CB LYS A 63 -7.637 21.733 4.941 1.00 0.89 C ATOM 1003 CG LYS A 63 -9.026 22.213 4.547 1.00 0.98 C ATOM 1004 CD LYS A 63 -9.340 23.574 5.146 1.00 1.05 C ATOM 1005 CE LYS A 63 -8.664 24.697 4.377 1.00 1.20 C ATOM 1006 NZ LYS A 63 -9.237 24.862 3.014 1.00 1.50 N ATOM 0 H LYS A 63 -7.403 21.128 2.561 1.00 0.78 H new ATOM 0 HA LYS A 63 -6.381 19.985 4.942 1.00 0.81 H new ATOM 0 HB2 LYS A 63 -7.539 21.787 6.025 1.00 0.89 H new ATOM 0 HB3 LYS A 63 -6.896 22.413 4.520 1.00 0.89 H new ATOM 0 HG2 LYS A 63 -9.098 22.268 3.461 1.00 0.98 H new ATOM 0 HG3 LYS A 63 -9.770 21.489 4.879 1.00 0.98 H new ATOM 0 HD2 LYS A 63 -10.419 23.731 5.146 1.00 1.05 H new ATOM 0 HD3 LYS A 63 -9.014 23.598 6.186 1.00 1.05 H new ATOM 0 HE2 LYS A 63 -8.770 25.630 4.930 1.00 1.20 H new ATOM 0 HE3 LYS A 63 -7.596 24.492 4.299 1.00 1.20 H new ATOM 0 HZ1 LYS A 63 -8.996 25.805 2.648 1.00 1.50 H new ATOM 0 HZ2 LYS A 63 -8.845 24.135 2.382 1.00 1.50 H new ATOM 0 HZ3 LYS A 63 -10.271 24.762 3.058 1.00 1.50 H new ATOM 1020 N GLU A 64 -8.287 18.863 6.167 1.00 0.86 N ATOM 1021 CA GLU A 64 -9.246 17.935 6.769 1.00 0.91 C ATOM 1022 C GLU A 64 -9.362 16.616 5.993 1.00 0.83 C ATOM 1023 O GLU A 64 -10.266 15.817 6.248 1.00 0.87 O ATOM 1024 CB GLU A 64 -10.623 18.595 6.899 1.00 1.04 C ATOM 1025 CG GLU A 64 -10.878 19.230 8.259 1.00 1.15 C ATOM 1026 CD GLU A 64 -9.867 20.302 8.618 1.00 1.26 C ATOM 1027 OE1 GLU A 64 -9.793 21.324 7.904 1.00 1.64 O ATOM 1028 OE2 GLU A 64 -9.151 20.134 9.626 1.00 1.73 O ATOM 0 H GLU A 64 -7.506 19.099 6.780 1.00 0.86 H new ATOM 0 HA GLU A 64 -8.866 17.690 7.761 1.00 0.91 H new ATOM 0 HB2 GLU A 64 -10.723 19.359 6.128 1.00 1.04 H new ATOM 0 HB3 GLU A 64 -11.393 17.847 6.708 1.00 1.04 H new ATOM 0 HG2 GLU A 64 -11.877 19.665 8.268 1.00 1.15 H new ATOM 0 HG3 GLU A 64 -10.862 18.454 9.024 1.00 1.15 H new ATOM 1035 N SER A 65 -8.460 16.390 5.046 1.00 0.74 N ATOM 1036 CA SER A 65 -8.474 15.157 4.273 1.00 0.68 C ATOM 1037 C SER A 65 -7.984 13.988 5.125 1.00 0.61 C ATOM 1038 O SER A 65 -7.162 14.162 6.028 1.00 0.59 O ATOM 1039 CB SER A 65 -7.611 15.295 3.015 1.00 0.65 C ATOM 1040 OG SER A 65 -8.218 16.160 2.068 1.00 0.72 O ATOM 0 H SER A 65 -7.715 17.040 4.797 1.00 0.74 H new ATOM 0 HA SER A 65 -9.501 14.960 3.965 1.00 0.68 H new ATOM 0 HB2 SER A 65 -6.628 15.681 3.286 1.00 0.65 H new ATOM 0 HB3 SER A 65 -7.456 14.313 2.568 1.00 0.65 H new ATOM 0 HG SER A 65 -8.379 15.671 1.234 1.00 0.72 H new ATOM 1046 N THR A 66 -8.494 12.803 4.836 1.00 0.59 N ATOM 1047 CA THR A 66 -8.115 11.609 5.567 1.00 0.57 C ATOM 1048 C THR A 66 -7.385 10.644 4.642 1.00 0.55 C ATOM 1049 O THR A 66 -7.900 10.270 3.588 1.00 0.61 O ATOM 1050 CB THR A 66 -9.350 10.918 6.173 1.00 0.66 C ATOM 1051 OG1 THR A 66 -10.194 11.897 6.792 1.00 0.76 O ATOM 1052 CG2 THR A 66 -8.942 9.874 7.202 1.00 0.68 C ATOM 0 H THR A 66 -9.176 12.643 4.095 1.00 0.59 H new ATOM 0 HA THR A 66 -7.452 11.903 6.381 1.00 0.57 H new ATOM 0 HB THR A 66 -9.891 10.417 5.370 1.00 0.66 H new ATOM 0 HG1 THR A 66 -10.980 11.455 7.176 1.00 0.76 H new ATOM 0 HG21 THR A 66 -9.834 9.401 7.614 1.00 0.68 H new ATOM 0 HG22 THR A 66 -8.318 9.118 6.726 1.00 0.68 H new ATOM 0 HG23 THR A 66 -8.382 10.354 8.005 1.00 0.68 H new ATOM 1060 N LEU A 67 -6.182 10.254 5.026 1.00 0.51 N ATOM 1061 CA LEU A 67 -5.390 9.345 4.219 1.00 0.53 C ATOM 1062 C LEU A 67 -5.211 8.018 4.938 1.00 0.56 C ATOM 1063 O LEU A 67 -5.031 7.977 6.156 1.00 0.77 O ATOM 1064 CB LEU A 67 -4.019 9.956 3.907 1.00 0.53 C ATOM 1065 CG LEU A 67 -4.047 11.227 3.051 1.00 0.58 C ATOM 1066 CD1 LEU A 67 -3.850 12.464 3.917 1.00 0.73 C ATOM 1067 CD2 LEU A 67 -2.983 11.160 1.967 1.00 0.84 C ATOM 0 H LEU A 67 -5.733 10.553 5.892 1.00 0.51 H new ATOM 0 HA LEU A 67 -5.919 9.173 3.282 1.00 0.53 H new ATOM 0 HB2 LEU A 67 -3.518 10.183 4.848 1.00 0.53 H new ATOM 0 HB3 LEU A 67 -3.414 9.207 3.396 1.00 0.53 H new ATOM 0 HG LEU A 67 -5.024 11.297 2.573 1.00 0.58 H new ATOM 0 HD11 LEU A 67 -3.873 13.355 3.289 1.00 0.73 H new ATOM 0 HD12 LEU A 67 -4.648 12.521 4.657 1.00 0.73 H new ATOM 0 HD13 LEU A 67 -2.888 12.403 4.425 1.00 0.73 H new ATOM 0 HD21 LEU A 67 -3.016 12.070 1.368 1.00 0.84 H new ATOM 0 HD22 LEU A 67 -2.000 11.064 2.428 1.00 0.84 H new ATOM 0 HD23 LEU A 67 -3.169 10.297 1.327 1.00 0.84 H new ATOM 1079 N HIS A 68 -5.286 6.938 4.185 1.00 0.50 N ATOM 1080 CA HIS A 68 -5.114 5.608 4.737 1.00 0.54 C ATOM 1081 C HIS A 68 -3.638 5.242 4.700 1.00 0.49 C ATOM 1082 O HIS A 68 -2.984 5.370 3.671 1.00 0.50 O ATOM 1083 CB HIS A 68 -5.946 4.604 3.938 1.00 0.63 C ATOM 1084 CG HIS A 68 -6.130 3.271 4.601 1.00 0.70 C ATOM 1085 ND1 HIS A 68 -6.366 3.121 5.951 1.00 1.18 N ATOM 1086 CD2 HIS A 68 -6.149 2.022 4.079 1.00 1.42 C ATOM 1087 CE1 HIS A 68 -6.524 1.840 6.226 1.00 1.33 C ATOM 1088 NE2 HIS A 68 -6.397 1.150 5.108 1.00 1.45 N ATOM 0 H HIS A 68 -5.466 6.956 3.181 1.00 0.50 H new ATOM 0 HA HIS A 68 -5.457 5.586 5.771 1.00 0.54 H new ATOM 0 HB2 HIS A 68 -6.928 5.038 3.747 1.00 0.63 H new ATOM 0 HB3 HIS A 68 -5.471 4.450 2.969 1.00 0.63 H new ATOM 0 HD1 HIS A 68 -6.411 3.881 6.630 1.00 1.18 H new ATOM 0 HD2 HIS A 68 -5.997 1.760 3.042 1.00 1.42 H new ATOM 0 HE1 HIS A 68 -6.724 1.425 7.203 1.00 1.33 H new ATOM 1097 N LEU A 69 -3.110 4.798 5.818 1.00 0.48 N ATOM 1098 CA LEU A 69 -1.702 4.454 5.885 1.00 0.47 C ATOM 1099 C LEU A 69 -1.489 2.963 6.114 1.00 0.53 C ATOM 1100 O LEU A 69 -2.347 2.268 6.660 1.00 0.64 O ATOM 1101 CB LEU A 69 -1.014 5.258 6.992 1.00 0.49 C ATOM 1102 CG LEU A 69 0.517 5.218 6.984 1.00 0.67 C ATOM 1103 CD1 LEU A 69 1.071 6.022 5.818 1.00 0.90 C ATOM 1104 CD2 LEU A 69 1.070 5.742 8.301 1.00 1.00 C ATOM 0 H LEU A 69 -3.626 4.666 6.688 1.00 0.48 H new ATOM 0 HA LEU A 69 -1.258 4.706 4.922 1.00 0.47 H new ATOM 0 HB2 LEU A 69 -1.333 6.297 6.914 1.00 0.49 H new ATOM 0 HB3 LEU A 69 -1.364 4.889 7.956 1.00 0.49 H new ATOM 0 HG LEU A 69 0.831 4.181 6.864 1.00 0.67 H new ATOM 0 HD11 LEU A 69 2.160 5.980 5.832 1.00 0.90 H new ATOM 0 HD12 LEU A 69 0.704 5.604 4.881 1.00 0.90 H new ATOM 0 HD13 LEU A 69 0.747 7.059 5.905 1.00 0.90 H new ATOM 0 HD21 LEU A 69 2.159 5.707 8.278 1.00 1.00 H new ATOM 0 HD22 LEU A 69 0.744 6.771 8.449 1.00 1.00 H new ATOM 0 HD23 LEU A 69 0.704 5.124 9.121 1.00 1.00 H new ATOM 1116 N VAL A 70 -0.348 2.487 5.646 1.00 0.53 N ATOM 1117 CA VAL A 70 0.063 1.106 5.806 1.00 0.59 C ATOM 1118 C VAL A 70 1.522 1.100 6.247 1.00 0.57 C ATOM 1119 O VAL A 70 2.353 1.804 5.662 1.00 0.57 O ATOM 1120 CB VAL A 70 -0.110 0.301 4.494 1.00 0.65 C ATOM 1121 CG1 VAL A 70 0.751 -0.955 4.498 1.00 1.08 C ATOM 1122 CG2 VAL A 70 -1.572 -0.058 4.285 1.00 1.05 C ATOM 0 H VAL A 70 0.327 3.058 5.137 1.00 0.53 H new ATOM 0 HA VAL A 70 -0.567 0.625 6.555 1.00 0.59 H new ATOM 0 HB VAL A 70 0.221 0.930 3.667 1.00 0.65 H new ATOM 0 HG11 VAL A 70 0.607 -1.498 3.564 1.00 1.08 H new ATOM 0 HG12 VAL A 70 1.800 -0.677 4.598 1.00 1.08 H new ATOM 0 HG13 VAL A 70 0.463 -1.591 5.335 1.00 1.08 H new ATOM 0 HG21 VAL A 70 -1.679 -0.624 3.359 1.00 1.05 H new ATOM 0 HG22 VAL A 70 -1.921 -0.662 5.122 1.00 1.05 H new ATOM 0 HG23 VAL A 70 -2.165 0.854 4.224 1.00 1.05 H new ATOM 1132 N LEU A 71 1.832 0.339 7.282 1.00 0.61 N ATOM 1133 CA LEU A 71 3.192 0.289 7.802 1.00 0.63 C ATOM 1134 C LEU A 71 3.977 -0.858 7.185 1.00 0.64 C ATOM 1135 O LEU A 71 3.733 -2.023 7.484 1.00 0.70 O ATOM 1136 CB LEU A 71 3.181 0.149 9.328 1.00 0.73 C ATOM 1137 CG LEU A 71 2.369 1.209 10.077 1.00 0.86 C ATOM 1138 CD1 LEU A 71 2.468 0.993 11.579 1.00 0.97 C ATOM 1139 CD2 LEU A 71 2.837 2.611 9.707 1.00 0.98 C ATOM 0 H LEU A 71 1.165 -0.252 7.779 1.00 0.61 H new ATOM 0 HA LEU A 71 3.682 1.225 7.533 1.00 0.63 H new ATOM 0 HB2 LEU A 71 2.786 -0.834 9.583 1.00 0.73 H new ATOM 0 HB3 LEU A 71 4.210 0.183 9.687 1.00 0.73 H new ATOM 0 HG LEU A 71 1.325 1.110 9.781 1.00 0.86 H new ATOM 0 HD11 LEU A 71 1.885 1.755 12.095 1.00 0.97 H new ATOM 0 HD12 LEU A 71 2.079 0.006 11.831 1.00 0.97 H new ATOM 0 HD13 LEU A 71 3.511 1.062 11.889 1.00 0.97 H new ATOM 0 HD21 LEU A 71 2.246 3.347 10.251 1.00 0.98 H new ATOM 0 HD22 LEU A 71 3.889 2.725 9.969 1.00 0.98 H new ATOM 0 HD23 LEU A 71 2.712 2.765 8.635 1.00 0.98 H new ATOM 1151 N ARG A 72 4.926 -0.522 6.327 1.00 0.88 N ATOM 1152 CA ARG A 72 5.762 -1.523 5.681 1.00 0.97 C ATOM 1153 C ARG A 72 6.942 -1.843 6.592 1.00 1.16 C ATOM 1154 O ARG A 72 8.099 -1.657 6.219 1.00 1.48 O ATOM 1155 CB ARG A 72 6.255 -1.010 4.323 1.00 1.07 C ATOM 1156 CG ARG A 72 6.816 -2.097 3.418 1.00 1.39 C ATOM 1157 CD ARG A 72 8.241 -1.787 2.990 1.00 1.15 C ATOM 1158 NE ARG A 72 8.694 -2.671 1.916 1.00 1.50 N ATOM 1159 CZ ARG A 72 9.975 -2.905 1.633 1.00 1.88 C ATOM 1160 NH1 ARG A 72 10.936 -2.316 2.336 1.00 2.11 N ATOM 1161 NH2 ARG A 72 10.294 -3.727 0.639 1.00 2.62 N ATOM 0 H ARG A 72 5.138 0.439 6.060 1.00 0.88 H new ATOM 0 HA ARG A 72 5.181 -2.429 5.508 1.00 0.97 H new ATOM 0 HB2 ARG A 72 5.429 -0.516 3.811 1.00 1.07 H new ATOM 0 HB3 ARG A 72 7.025 -0.256 4.488 1.00 1.07 H new ATOM 0 HG2 ARG A 72 6.792 -3.054 3.939 1.00 1.39 H new ATOM 0 HG3 ARG A 72 6.184 -2.199 2.536 1.00 1.39 H new ATOM 0 HD2 ARG A 72 8.303 -0.751 2.657 1.00 1.15 H new ATOM 0 HD3 ARG A 72 8.907 -1.887 3.847 1.00 1.15 H new ATOM 0 HE ARG A 72 7.986 -3.137 1.349 1.00 1.50 H new ATOM 0 HH11 ARG A 72 10.695 -1.681 3.097 1.00 2.11 H new ATOM 0 HH12 ARG A 72 11.915 -2.499 2.115 1.00 2.11 H new ATOM 0 HH21 ARG A 72 9.559 -4.178 0.094 1.00 2.62 H new ATOM 0 HH22 ARG A 72 11.274 -3.907 0.421 1.00 2.62 H new ATOM 1233 N MET B 1 -3.853 -24.291 -0.268 1.00 0.61 N ATOM 1234 CA MET B 1 -4.835 -23.610 0.604 1.00 0.57 C ATOM 1235 C MET B 1 -5.538 -22.507 -0.174 1.00 0.53 C ATOM 1236 O MET B 1 -5.320 -22.355 -1.377 1.00 0.56 O ATOM 1237 CB MET B 1 -4.149 -23.040 1.859 1.00 0.59 C ATOM 1238 CG MET B 1 -3.157 -21.921 1.576 1.00 0.58 C ATOM 1239 SD MET B 1 -2.377 -21.285 3.073 1.00 0.63 S ATOM 1240 CE MET B 1 -1.318 -20.012 2.384 1.00 0.64 C ATOM 0 H1 MET B 1 -3.098 -24.704 0.316 1.00 0.61 H new ATOM 0 H2 MET B 1 -4.329 -25.045 -0.803 1.00 0.61 H new ATOM 0 H3 MET B 1 -3.441 -23.603 -0.930 1.00 0.61 H new ATOM 0 HA MET B 1 -5.577 -24.338 0.931 1.00 0.57 H new ATOM 0 HB2 MET B 1 -4.914 -22.668 2.540 1.00 0.59 H new ATOM 0 HB3 MET B 1 -3.630 -23.848 2.374 1.00 0.59 H new ATOM 0 HG2 MET B 1 -2.386 -22.287 0.898 1.00 0.58 H new ATOM 0 HG3 MET B 1 -3.671 -21.107 1.065 1.00 0.58 H new ATOM 0 HE1 MET B 1 -0.766 -19.524 3.187 1.00 0.64 H new ATOM 0 HE2 MET B 1 -0.615 -20.463 1.683 1.00 0.64 H new ATOM 0 HE3 MET B 1 -1.928 -19.274 1.862 1.00 0.64 H new ATOM 1252 N GLN B 2 -6.373 -21.732 0.505 1.00 0.59 N ATOM 1253 CA GLN B 2 -7.106 -20.654 -0.141 1.00 0.58 C ATOM 1254 C GLN B 2 -6.907 -19.343 0.608 1.00 0.55 C ATOM 1255 O GLN B 2 -6.760 -19.336 1.833 1.00 0.63 O ATOM 1256 CB GLN B 2 -8.597 -20.988 -0.213 1.00 0.69 C ATOM 1257 CG GLN B 2 -8.954 -21.941 -1.342 1.00 1.50 C ATOM 1258 CD GLN B 2 -10.450 -22.134 -1.484 1.00 1.69 C ATOM 1259 OE1 GLN B 2 -11.128 -21.354 -2.150 1.00 1.60 O ATOM 1260 NE2 GLN B 2 -10.975 -23.181 -0.866 1.00 2.50 N ATOM 0 H GLN B 2 -6.559 -21.831 1.503 1.00 0.59 H new ATOM 0 HA GLN B 2 -6.718 -20.542 -1.154 1.00 0.58 H new ATOM 0 HB2 GLN B 2 -8.908 -21.428 0.734 1.00 0.69 H new ATOM 0 HB3 GLN B 2 -9.162 -20.064 -0.336 1.00 0.69 H new ATOM 0 HG2 GLN B 2 -8.549 -21.558 -2.279 1.00 1.50 H new ATOM 0 HG3 GLN B 2 -8.481 -22.907 -1.162 1.00 1.50 H new ATOM 0 HE21 GLN B 2 -10.378 -23.805 -0.323 1.00 2.50 H new ATOM 0 HE22 GLN B 2 -11.976 -23.364 -0.933 1.00 2.50 H new ATOM 1269 N ILE B 3 -6.890 -18.245 -0.131 1.00 0.50 N ATOM 1270 CA ILE B 3 -6.718 -16.923 0.455 1.00 0.50 C ATOM 1271 C ILE B 3 -7.738 -15.957 -0.129 1.00 0.50 C ATOM 1272 O ILE B 3 -8.261 -16.187 -1.221 1.00 0.50 O ATOM 1273 CB ILE B 3 -5.300 -16.357 0.214 1.00 0.50 C ATOM 1274 CG1 ILE B 3 -4.938 -16.417 -1.274 1.00 0.49 C ATOM 1275 CG2 ILE B 3 -4.273 -17.110 1.048 1.00 0.52 C ATOM 1276 CD1 ILE B 3 -3.764 -15.537 -1.653 1.00 0.55 C ATOM 0 H ILE B 3 -6.994 -18.243 -1.146 1.00 0.50 H new ATOM 0 HA ILE B 3 -6.865 -17.029 1.530 1.00 0.50 H new ATOM 0 HB ILE B 3 -5.292 -15.312 0.524 1.00 0.50 H new ATOM 0 HG12 ILE B 3 -4.708 -17.448 -1.541 1.00 0.49 H new ATOM 0 HG13 ILE B 3 -5.807 -16.121 -1.862 1.00 0.49 H new ATOM 0 HG21 ILE B 3 -3.281 -16.697 0.864 1.00 0.52 H new ATOM 0 HG22 ILE B 3 -4.518 -17.009 2.105 1.00 0.52 H new ATOM 0 HG23 ILE B 3 -4.283 -18.165 0.773 1.00 0.52 H new ATOM 0 HD11 ILE B 3 -3.568 -15.632 -2.721 1.00 0.55 H new ATOM 0 HD12 ILE B 3 -3.997 -14.498 -1.418 1.00 0.55 H new ATOM 0 HD13 ILE B 3 -2.882 -15.846 -1.093 1.00 0.55 H new ATOM 1288 N PHE B 4 -8.021 -14.886 0.596 1.00 0.54 N ATOM 1289 CA PHE B 4 -8.975 -13.889 0.141 1.00 0.58 C ATOM 1290 C PHE B 4 -8.270 -12.559 -0.049 1.00 0.56 C ATOM 1291 O PHE B 4 -7.704 -12.010 0.891 1.00 0.56 O ATOM 1292 CB PHE B 4 -10.121 -13.743 1.145 1.00 0.65 C ATOM 1293 CG PHE B 4 -10.828 -15.037 1.426 1.00 0.72 C ATOM 1294 CD1 PHE B 4 -11.730 -15.558 0.515 1.00 1.07 C ATOM 1295 CD2 PHE B 4 -10.587 -15.732 2.598 1.00 1.13 C ATOM 1296 CE1 PHE B 4 -12.378 -16.751 0.767 1.00 1.13 C ATOM 1297 CE2 PHE B 4 -11.232 -16.926 2.856 1.00 1.24 C ATOM 1298 CZ PHE B 4 -12.128 -17.435 1.939 1.00 0.96 C ATOM 0 H PHE B 4 -7.602 -14.685 1.504 1.00 0.54 H new ATOM 0 HA PHE B 4 -9.395 -14.212 -0.812 1.00 0.58 H new ATOM 0 HB2 PHE B 4 -9.729 -13.340 2.079 1.00 0.65 H new ATOM 0 HB3 PHE B 4 -10.840 -13.019 0.763 1.00 0.65 H new ATOM 0 HD1 PHE B 4 -11.929 -15.026 -0.403 1.00 1.07 H new ATOM 0 HD2 PHE B 4 -9.887 -15.337 3.319 1.00 1.13 H new ATOM 0 HE1 PHE B 4 -13.079 -17.148 0.048 1.00 1.13 H new ATOM 0 HE2 PHE B 4 -11.035 -17.460 3.774 1.00 1.24 H new ATOM 0 HZ PHE B 4 -12.634 -18.368 2.138 1.00 0.96 H new ATOM 1308 N VAL B 5 -8.296 -12.047 -1.262 1.00 0.54 N ATOM 1309 CA VAL B 5 -7.641 -10.789 -1.562 1.00 0.54 C ATOM 1310 C VAL B 5 -8.672 -9.704 -1.836 1.00 0.55 C ATOM 1311 O VAL B 5 -9.329 -9.701 -2.880 1.00 0.55 O ATOM 1312 CB VAL B 5 -6.691 -10.918 -2.770 1.00 0.54 C ATOM 1313 CG1 VAL B 5 -5.835 -9.673 -2.909 1.00 0.55 C ATOM 1314 CG2 VAL B 5 -5.817 -12.159 -2.646 1.00 0.57 C ATOM 0 H VAL B 5 -8.764 -12.482 -2.057 1.00 0.54 H new ATOM 0 HA VAL B 5 -7.049 -10.514 -0.689 1.00 0.54 H new ATOM 0 HB VAL B 5 -7.298 -11.022 -3.669 1.00 0.54 H new ATOM 0 HG11 VAL B 5 -5.171 -9.782 -3.766 1.00 0.55 H new ATOM 0 HG12 VAL B 5 -6.477 -8.804 -3.055 1.00 0.55 H new ATOM 0 HG13 VAL B 5 -5.241 -9.537 -2.005 1.00 0.55 H new ATOM 0 HG21 VAL B 5 -5.156 -12.227 -3.510 1.00 0.57 H new ATOM 0 HG22 VAL B 5 -5.219 -12.094 -1.737 1.00 0.57 H new ATOM 0 HG23 VAL B 5 -6.449 -13.046 -2.602 1.00 0.57 H new ATOM 1324 N LYS B 6 -8.825 -8.799 -0.885 1.00 0.57 N ATOM 1325 CA LYS B 6 -9.770 -7.706 -1.015 1.00 0.59 C ATOM 1326 C LYS B 6 -9.181 -6.590 -1.866 1.00 0.77 C ATOM 1327 O LYS B 6 -8.122 -6.048 -1.552 1.00 0.89 O ATOM 1328 CB LYS B 6 -10.147 -7.164 0.365 1.00 0.59 C ATOM 1329 CG LYS B 6 -11.413 -7.779 0.938 1.00 0.89 C ATOM 1330 CD LYS B 6 -12.645 -7.306 0.183 1.00 1.36 C ATOM 1331 CE LYS B 6 -13.925 -7.774 0.853 1.00 1.66 C ATOM 1332 NZ LYS B 6 -15.131 -7.258 0.159 1.00 2.10 N ATOM 0 H LYS B 6 -8.303 -8.801 -0.009 1.00 0.57 H new ATOM 0 HA LYS B 6 -10.667 -8.084 -1.505 1.00 0.59 H new ATOM 0 HB2 LYS B 6 -9.322 -7.344 1.054 1.00 0.59 H new ATOM 0 HB3 LYS B 6 -10.276 -6.084 0.298 1.00 0.59 H new ATOM 0 HG2 LYS B 6 -11.347 -8.866 0.888 1.00 0.89 H new ATOM 0 HG3 LYS B 6 -11.505 -7.514 1.991 1.00 0.89 H new ATOM 0 HD2 LYS B 6 -12.641 -6.218 0.125 1.00 1.36 H new ATOM 0 HD3 LYS B 6 -12.611 -7.680 -0.840 1.00 1.36 H new ATOM 0 HE2 LYS B 6 -13.951 -8.864 0.866 1.00 1.66 H new ATOM 0 HE3 LYS B 6 -13.934 -7.443 1.891 1.00 1.66 H new ATOM 0 HZ1 LYS B 6 -15.780 -6.840 0.856 1.00 2.10 H new ATOM 0 HZ2 LYS B 6 -14.851 -6.532 -0.531 1.00 2.10 H new ATOM 0 HZ3 LYS B 6 -15.608 -8.039 -0.334 1.00 2.10 H new ATOM 1346 N THR B 7 -9.870 -6.261 -2.943 1.00 0.98 N ATOM 1347 CA THR B 7 -9.432 -5.213 -3.841 1.00 1.24 C ATOM 1348 C THR B 7 -9.694 -3.845 -3.218 1.00 1.28 C ATOM 1349 O THR B 7 -10.587 -3.697 -2.379 1.00 1.19 O ATOM 1350 CB THR B 7 -10.158 -5.321 -5.198 1.00 1.42 C ATOM 1351 OG1 THR B 7 -10.299 -6.700 -5.557 1.00 2.41 O ATOM 1352 CG2 THR B 7 -9.393 -4.594 -6.293 1.00 1.57 C ATOM 0 H THR B 7 -10.744 -6.711 -3.217 1.00 0.98 H new ATOM 0 HA THR B 7 -8.361 -5.329 -4.010 1.00 1.24 H new ATOM 0 HB THR B 7 -11.139 -4.856 -5.096 1.00 1.42 H new ATOM 0 HG1 THR B 7 -10.298 -6.786 -6.533 1.00 2.41 H new ATOM 0 HG21 THR B 7 -9.930 -4.689 -7.237 1.00 1.57 H new ATOM 0 HG22 THR B 7 -9.299 -3.540 -6.033 1.00 1.57 H new ATOM 0 HG23 THR B 7 -8.400 -5.032 -6.395 1.00 1.57 H new ATOM 1360 N LEU B 8 -8.904 -2.860 -3.620 1.00 1.48 N ATOM 1361 CA LEU B 8 -9.019 -1.494 -3.114 1.00 1.61 C ATOM 1362 C LEU B 8 -10.423 -0.908 -3.301 1.00 1.52 C ATOM 1363 O LEU B 8 -10.830 -0.012 -2.560 1.00 1.55 O ATOM 1364 CB LEU B 8 -7.999 -0.598 -3.819 1.00 1.99 C ATOM 1365 CG LEU B 8 -8.226 -0.404 -5.323 1.00 2.60 C ATOM 1366 CD1 LEU B 8 -7.824 0.998 -5.749 1.00 2.87 C ATOM 1367 CD2 LEU B 8 -7.442 -1.436 -6.122 1.00 3.45 C ATOM 0 H LEU B 8 -8.162 -2.983 -4.309 1.00 1.48 H new ATOM 0 HA LEU B 8 -8.822 -1.532 -2.043 1.00 1.61 H new ATOM 0 HB2 LEU B 8 -8.006 0.380 -3.338 1.00 1.99 H new ATOM 0 HB3 LEU B 8 -7.005 -1.020 -3.670 1.00 1.99 H new ATOM 0 HG LEU B 8 -9.289 -0.540 -5.524 1.00 2.60 H new ATOM 0 HD11 LEU B 8 -7.993 1.115 -6.819 1.00 2.87 H new ATOM 0 HD12 LEU B 8 -8.422 1.729 -5.205 1.00 2.87 H new ATOM 0 HD13 LEU B 8 -6.768 1.157 -5.529 1.00 2.87 H new ATOM 0 HD21 LEU B 8 -7.617 -1.281 -7.187 1.00 3.45 H new ATOM 0 HD22 LEU B 8 -6.378 -1.329 -5.909 1.00 3.45 H new ATOM 0 HD23 LEU B 8 -7.769 -2.438 -5.843 1.00 3.45 H new ATOM 1379 N THR B 9 -11.156 -1.398 -4.287 1.00 1.49 N ATOM 1380 CA THR B 9 -12.493 -0.897 -4.556 1.00 1.52 C ATOM 1381 C THR B 9 -13.564 -1.655 -3.764 1.00 1.33 C ATOM 1382 O THR B 9 -14.710 -1.212 -3.670 1.00 1.63 O ATOM 1383 CB THR B 9 -12.791 -0.967 -6.060 1.00 1.73 C ATOM 1384 OG1 THR B 9 -12.063 -2.060 -6.640 1.00 1.99 O ATOM 1385 CG2 THR B 9 -12.402 0.337 -6.747 1.00 1.90 C ATOM 0 H THR B 9 -10.848 -2.141 -4.914 1.00 1.49 H new ATOM 0 HA THR B 9 -12.525 0.142 -4.229 1.00 1.52 H new ATOM 0 HB THR B 9 -13.861 -1.123 -6.200 1.00 1.73 H new ATOM 0 HG1 THR B 9 -12.254 -2.107 -7.600 1.00 1.99 H new ATOM 0 HG21 THR B 9 -12.621 0.266 -7.812 1.00 1.90 H new ATOM 0 HG22 THR B 9 -12.970 1.160 -6.313 1.00 1.90 H new ATOM 0 HG23 THR B 9 -11.336 0.518 -6.607 1.00 1.90 H new ATOM 1393 N GLY B 10 -13.187 -2.789 -3.181 1.00 0.95 N ATOM 1394 CA GLY B 10 -14.136 -3.564 -2.401 1.00 0.85 C ATOM 1395 C GLY B 10 -14.308 -4.984 -2.906 1.00 0.94 C ATOM 1396 O GLY B 10 -14.796 -5.847 -2.177 1.00 1.62 O ATOM 0 H GLY B 10 -12.248 -3.183 -3.234 1.00 0.95 H new ATOM 0 HA2 GLY B 10 -13.805 -3.592 -1.363 1.00 0.85 H new ATOM 0 HA3 GLY B 10 -15.103 -3.061 -2.414 1.00 0.85 H new ATOM 1400 N LYS B 11 -13.915 -5.223 -4.151 1.00 0.95 N ATOM 1401 CA LYS B 11 -14.027 -6.552 -4.757 1.00 0.97 C ATOM 1402 C LYS B 11 -13.248 -7.591 -3.945 1.00 0.86 C ATOM 1403 O LYS B 11 -12.299 -7.255 -3.242 1.00 0.85 O ATOM 1404 CB LYS B 11 -13.505 -6.513 -6.197 1.00 1.16 C ATOM 1405 CG LYS B 11 -13.881 -7.732 -7.025 1.00 1.35 C ATOM 1406 CD LYS B 11 -13.385 -7.606 -8.456 1.00 1.35 C ATOM 1407 CE LYS B 11 -13.885 -8.752 -9.318 1.00 1.46 C ATOM 1408 NZ LYS B 11 -13.506 -8.582 -10.745 1.00 1.62 N ATOM 0 H LYS B 11 -13.514 -4.514 -4.765 1.00 0.95 H new ATOM 0 HA LYS B 11 -15.078 -6.841 -4.762 1.00 0.97 H new ATOM 0 HB2 LYS B 11 -13.891 -5.620 -6.688 1.00 1.16 H new ATOM 0 HB3 LYS B 11 -12.419 -6.421 -6.176 1.00 1.16 H new ATOM 0 HG2 LYS B 11 -13.458 -8.627 -6.569 1.00 1.35 H new ATOM 0 HG3 LYS B 11 -14.964 -7.855 -7.023 1.00 1.35 H new ATOM 0 HD2 LYS B 11 -13.721 -6.658 -8.877 1.00 1.35 H new ATOM 0 HD3 LYS B 11 -12.295 -7.590 -8.465 1.00 1.35 H new ATOM 0 HE2 LYS B 11 -13.478 -9.691 -8.944 1.00 1.46 H new ATOM 0 HE3 LYS B 11 -14.970 -8.820 -9.237 1.00 1.46 H new ATOM 0 HZ1 LYS B 11 -13.488 -9.511 -11.213 1.00 1.62 H new ATOM 0 HZ2 LYS B 11 -14.201 -7.969 -11.218 1.00 1.62 H new ATOM 0 HZ3 LYS B 11 -12.563 -8.147 -10.804 1.00 1.62 H new ATOM 1422 N THR B 12 -13.650 -8.850 -4.040 1.00 0.80 N ATOM 1423 CA THR B 12 -12.982 -9.916 -3.310 1.00 0.72 C ATOM 1424 C THR B 12 -12.478 -10.986 -4.272 1.00 0.71 C ATOM 1425 O THR B 12 -13.260 -11.588 -5.005 1.00 0.85 O ATOM 1426 CB THR B 12 -13.925 -10.559 -2.276 1.00 0.76 C ATOM 1427 OG1 THR B 12 -14.797 -9.559 -1.724 1.00 0.93 O ATOM 1428 CG2 THR B 12 -13.132 -11.218 -1.157 1.00 0.69 C ATOM 0 H THR B 12 -14.434 -9.158 -4.615 1.00 0.80 H new ATOM 0 HA THR B 12 -12.136 -9.475 -2.783 1.00 0.72 H new ATOM 0 HB THR B 12 -14.517 -11.323 -2.780 1.00 0.76 H new ATOM 0 HG1 THR B 12 -15.396 -9.973 -1.068 1.00 0.93 H new ATOM 0 HG21 THR B 12 -13.819 -11.665 -0.439 1.00 0.69 H new ATOM 0 HG22 THR B 12 -12.488 -11.992 -1.574 1.00 0.69 H new ATOM 0 HG23 THR B 12 -12.520 -10.469 -0.655 1.00 0.69 H new ATOM 1436 N ILE B 13 -11.174 -11.211 -4.275 1.00 0.60 N ATOM 1437 CA ILE B 13 -10.569 -12.200 -5.155 1.00 0.59 C ATOM 1438 C ILE B 13 -10.151 -13.430 -4.358 1.00 0.56 C ATOM 1439 O ILE B 13 -9.655 -13.311 -3.239 1.00 0.55 O ATOM 1440 CB ILE B 13 -9.334 -11.617 -5.881 1.00 0.60 C ATOM 1441 CG1 ILE B 13 -9.641 -10.219 -6.423 1.00 0.65 C ATOM 1442 CG2 ILE B 13 -8.891 -12.538 -7.009 1.00 0.65 C ATOM 1443 CD1 ILE B 13 -8.407 -9.417 -6.769 1.00 0.70 C ATOM 0 H ILE B 13 -10.511 -10.720 -3.675 1.00 0.60 H new ATOM 0 HA ILE B 13 -11.313 -12.482 -5.900 1.00 0.59 H new ATOM 0 HB ILE B 13 -8.519 -11.538 -5.161 1.00 0.60 H new ATOM 0 HG12 ILE B 13 -10.264 -10.313 -7.313 1.00 0.65 H new ATOM 0 HG13 ILE B 13 -10.223 -9.671 -5.682 1.00 0.65 H new ATOM 0 HG21 ILE B 13 -8.021 -12.110 -7.507 1.00 0.65 H new ATOM 0 HG22 ILE B 13 -8.632 -13.515 -6.601 1.00 0.65 H new ATOM 0 HG23 ILE B 13 -9.703 -12.649 -7.728 1.00 0.65 H new ATOM 0 HD11 ILE B 13 -8.703 -8.438 -7.146 1.00 0.70 H new ATOM 0 HD12 ILE B 13 -7.793 -9.291 -5.877 1.00 0.70 H new ATOM 0 HD13 ILE B 13 -7.834 -9.942 -7.533 1.00 0.70 H new ATOM 1455 N THR B 14 -10.365 -14.607 -4.927 1.00 0.57 N ATOM 1456 CA THR B 14 -10.001 -15.852 -4.269 1.00 0.57 C ATOM 1457 C THR B 14 -9.068 -16.663 -5.167 1.00 0.55 C ATOM 1458 O THR B 14 -9.408 -16.974 -6.313 1.00 0.64 O ATOM 1459 CB THR B 14 -11.251 -16.685 -3.922 1.00 0.69 C ATOM 1460 OG1 THR B 14 -12.306 -15.813 -3.485 1.00 0.92 O ATOM 1461 CG2 THR B 14 -10.944 -17.700 -2.829 1.00 1.13 C ATOM 0 H THR B 14 -10.791 -14.726 -5.846 1.00 0.57 H new ATOM 0 HA THR B 14 -9.487 -15.607 -3.339 1.00 0.57 H new ATOM 0 HB THR B 14 -11.563 -17.224 -4.816 1.00 0.69 H new ATOM 0 HG1 THR B 14 -13.100 -16.344 -3.267 1.00 0.92 H new ATOM 0 HG21 THR B 14 -11.842 -18.274 -2.603 1.00 1.13 H new ATOM 0 HG22 THR B 14 -10.158 -18.374 -3.169 1.00 1.13 H new ATOM 0 HG23 THR B 14 -10.611 -17.179 -1.931 1.00 1.13 H new ATOM 1469 N LEU B 15 -7.889 -16.989 -4.657 1.00 0.50 N ATOM 1470 CA LEU B 15 -6.911 -17.743 -5.429 1.00 0.54 C ATOM 1471 C LEU B 15 -6.416 -18.958 -4.655 1.00 0.53 C ATOM 1472 O LEU B 15 -6.349 -18.938 -3.421 1.00 0.54 O ATOM 1473 CB LEU B 15 -5.717 -16.851 -5.800 1.00 0.60 C ATOM 1474 CG LEU B 15 -5.584 -16.489 -7.285 1.00 0.78 C ATOM 1475 CD1 LEU B 15 -5.606 -17.737 -8.153 1.00 1.42 C ATOM 1476 CD2 LEU B 15 -6.683 -15.530 -7.709 1.00 0.72 C ATOM 0 H LEU B 15 -7.587 -16.744 -3.714 1.00 0.50 H new ATOM 0 HA LEU B 15 -7.403 -18.087 -6.339 1.00 0.54 H new ATOM 0 HB2 LEU B 15 -5.787 -15.927 -5.226 1.00 0.60 H new ATOM 0 HB3 LEU B 15 -4.802 -17.353 -5.485 1.00 0.60 H new ATOM 0 HG LEU B 15 -4.623 -15.993 -7.422 1.00 0.78 H new ATOM 0 HD11 LEU B 15 -5.510 -17.453 -9.201 1.00 1.42 H new ATOM 0 HD12 LEU B 15 -4.776 -18.388 -7.876 1.00 1.42 H new ATOM 0 HD13 LEU B 15 -6.547 -18.266 -8.005 1.00 1.42 H new ATOM 0 HD21 LEU B 15 -6.567 -15.288 -8.766 1.00 0.72 H new ATOM 0 HD22 LEU B 15 -7.655 -15.996 -7.548 1.00 0.72 H new ATOM 0 HD23 LEU B 15 -6.616 -14.616 -7.118 1.00 0.72 H new ATOM 1488 N GLU B 16 -6.081 -20.013 -5.386 1.00 0.55 N ATOM 1489 CA GLU B 16 -5.574 -21.234 -4.783 1.00 0.55 C ATOM 1490 C GLU B 16 -4.047 -21.191 -4.740 1.00 0.53 C ATOM 1491 O GLU B 16 -3.383 -21.204 -5.780 1.00 0.54 O ATOM 1492 CB GLU B 16 -6.052 -22.455 -5.571 1.00 0.62 C ATOM 1493 CG GLU B 16 -6.124 -23.724 -4.737 1.00 1.06 C ATOM 1494 CD GLU B 16 -6.622 -24.913 -5.531 1.00 1.22 C ATOM 1495 OE1 GLU B 16 -7.769 -24.870 -6.019 1.00 1.68 O ATOM 1496 OE2 GLU B 16 -5.871 -25.904 -5.664 1.00 1.71 O ATOM 0 H GLU B 16 -6.153 -20.045 -6.403 1.00 0.55 H new ATOM 0 HA GLU B 16 -5.955 -21.313 -3.765 1.00 0.55 H new ATOM 0 HB2 GLU B 16 -7.038 -22.246 -5.987 1.00 0.62 H new ATOM 0 HB3 GLU B 16 -5.380 -22.620 -6.413 1.00 0.62 H new ATOM 0 HG2 GLU B 16 -5.136 -23.948 -4.336 1.00 1.06 H new ATOM 0 HG3 GLU B 16 -6.784 -23.558 -3.885 1.00 1.06 H new ATOM 1503 N VAL B 17 -3.503 -21.118 -3.535 1.00 0.54 N ATOM 1504 CA VAL B 17 -2.054 -21.055 -3.345 1.00 0.54 C ATOM 1505 C VAL B 17 -1.625 -21.901 -2.156 1.00 0.56 C ATOM 1506 O VAL B 17 -2.441 -22.243 -1.305 1.00 0.57 O ATOM 1507 CB VAL B 17 -1.561 -19.605 -3.119 1.00 0.57 C ATOM 1508 CG1 VAL B 17 -1.808 -18.739 -4.346 1.00 0.62 C ATOM 1509 CG2 VAL B 17 -2.223 -18.998 -1.889 1.00 0.58 C ATOM 0 H VAL B 17 -4.041 -21.101 -2.669 1.00 0.54 H new ATOM 0 HA VAL B 17 -1.606 -21.442 -4.260 1.00 0.54 H new ATOM 0 HB VAL B 17 -0.485 -19.641 -2.949 1.00 0.57 H new ATOM 0 HG11 VAL B 17 -1.451 -17.727 -4.155 1.00 0.62 H new ATOM 0 HG12 VAL B 17 -1.275 -19.157 -5.200 1.00 0.62 H new ATOM 0 HG13 VAL B 17 -2.876 -18.712 -4.563 1.00 0.62 H new ATOM 0 HG21 VAL B 17 -1.863 -17.979 -1.748 1.00 0.58 H new ATOM 0 HG22 VAL B 17 -3.304 -18.985 -2.027 1.00 0.58 H new ATOM 0 HG23 VAL B 17 -1.976 -19.595 -1.011 1.00 0.58 H new ATOM 1519 N GLU B 18 -0.352 -22.248 -2.110 1.00 0.59 N ATOM 1520 CA GLU B 18 0.195 -23.034 -1.017 1.00 0.65 C ATOM 1521 C GLU B 18 1.273 -22.231 -0.303 1.00 0.68 C ATOM 1522 O GLU B 18 1.824 -21.299 -0.884 1.00 0.70 O ATOM 1523 CB GLU B 18 0.771 -24.351 -1.543 1.00 0.73 C ATOM 1524 CG GLU B 18 -0.266 -25.450 -1.693 1.00 1.05 C ATOM 1525 CD GLU B 18 -0.757 -25.976 -0.359 1.00 1.91 C ATOM 1526 OE1 GLU B 18 -1.488 -25.249 0.347 1.00 2.71 O ATOM 1527 OE2 GLU B 18 -0.415 -27.125 -0.008 1.00 2.32 O ATOM 0 H GLU B 18 0.330 -21.995 -2.825 1.00 0.59 H new ATOM 0 HA GLU B 18 -0.602 -23.268 -0.311 1.00 0.65 H new ATOM 0 HB2 GLU B 18 1.241 -24.172 -2.510 1.00 0.73 H new ATOM 0 HB3 GLU B 18 1.554 -24.692 -0.866 1.00 0.73 H new ATOM 0 HG2 GLU B 18 -1.113 -25.069 -2.263 1.00 1.05 H new ATOM 0 HG3 GLU B 18 0.162 -26.271 -2.268 1.00 1.05 H new ATOM 1534 N PRO B 19 1.569 -22.551 0.968 1.00 0.79 N ATOM 1535 CA PRO B 19 2.592 -21.840 1.746 1.00 0.90 C ATOM 1536 C PRO B 19 3.933 -21.722 1.019 1.00 0.88 C ATOM 1537 O PRO B 19 4.609 -20.699 1.118 1.00 0.99 O ATOM 1538 CB PRO B 19 2.748 -22.698 3.002 1.00 1.03 C ATOM 1539 CG PRO B 19 1.436 -23.381 3.159 1.00 1.09 C ATOM 1540 CD PRO B 19 0.909 -23.602 1.766 1.00 0.88 C ATOM 0 HA PRO B 19 2.292 -20.810 1.941 1.00 0.90 H new ATOM 0 HB2 PRO B 19 3.559 -23.418 2.891 1.00 1.03 H new ATOM 0 HB3 PRO B 19 2.982 -22.086 3.873 1.00 1.03 H new ATOM 0 HG2 PRO B 19 1.551 -24.328 3.687 1.00 1.09 H new ATOM 0 HG3 PRO B 19 0.747 -22.771 3.744 1.00 1.09 H new ATOM 0 HD2 PRO B 19 1.156 -24.598 1.398 1.00 0.88 H new ATOM 0 HD3 PRO B 19 -0.176 -23.509 1.730 1.00 0.88 H new ATOM 1548 N SER B 20 4.317 -22.771 0.300 1.00 0.82 N ATOM 1549 CA SER B 20 5.576 -22.781 -0.432 1.00 0.88 C ATOM 1550 C SER B 20 5.527 -21.969 -1.730 1.00 0.86 C ATOM 1551 O SER B 20 6.552 -21.832 -2.402 1.00 0.90 O ATOM 1552 CB SER B 20 5.975 -24.221 -0.751 1.00 0.92 C ATOM 1553 OG SER B 20 5.904 -25.039 0.405 1.00 0.87 O ATOM 0 H SER B 20 3.771 -23.628 0.209 1.00 0.82 H new ATOM 0 HA SER B 20 6.317 -22.308 0.213 1.00 0.88 H new ATOM 0 HB2 SER B 20 5.318 -24.621 -1.524 1.00 0.92 H new ATOM 0 HB3 SER B 20 6.988 -24.240 -1.152 1.00 0.92 H new ATOM 0 HG SER B 20 6.162 -25.956 0.174 1.00 0.87 H new ATOM 1559 N ASP B 21 4.361 -21.440 -2.105 1.00 0.81 N ATOM 1560 CA ASP B 21 4.249 -20.656 -3.334 1.00 0.80 C ATOM 1561 C ASP B 21 5.002 -19.339 -3.206 1.00 0.82 C ATOM 1562 O ASP B 21 5.322 -18.894 -2.100 1.00 0.83 O ATOM 1563 CB ASP B 21 2.783 -20.381 -3.687 1.00 0.75 C ATOM 1564 CG ASP B 21 2.174 -21.455 -4.568 1.00 0.91 C ATOM 1565 OD1 ASP B 21 2.914 -22.071 -5.366 1.00 1.10 O ATOM 1566 OD2 ASP B 21 0.948 -21.681 -4.474 1.00 1.08 O ATOM 0 H ASP B 21 3.491 -21.539 -1.582 1.00 0.81 H new ATOM 0 HA ASP B 21 4.694 -21.244 -4.137 1.00 0.80 H new ATOM 0 HB2 ASP B 21 2.203 -20.301 -2.768 1.00 0.75 H new ATOM 0 HB3 ASP B 21 2.711 -19.419 -4.194 1.00 0.75 H new ATOM 1571 N THR B 22 5.275 -18.715 -4.335 1.00 0.85 N ATOM 1572 CA THR B 22 5.999 -17.460 -4.362 1.00 0.89 C ATOM 1573 C THR B 22 5.040 -16.281 -4.519 1.00 0.79 C ATOM 1574 O THR B 22 3.975 -16.418 -5.125 1.00 0.73 O ATOM 1575 CB THR B 22 7.016 -17.470 -5.514 1.00 1.01 C ATOM 1576 OG1 THR B 22 6.703 -18.541 -6.416 1.00 1.11 O ATOM 1577 CG2 THR B 22 8.433 -17.651 -4.987 1.00 1.20 C ATOM 0 H THR B 22 5.003 -19.062 -5.255 1.00 0.85 H new ATOM 0 HA THR B 22 6.527 -17.345 -3.416 1.00 0.89 H new ATOM 0 HB THR B 22 6.960 -16.514 -6.034 1.00 1.01 H new ATOM 0 HG1 THR B 22 7.350 -18.548 -7.152 1.00 1.11 H new ATOM 0 HG21 THR B 22 9.134 -17.655 -5.822 1.00 1.20 H new ATOM 0 HG22 THR B 22 8.677 -16.831 -4.312 1.00 1.20 H new ATOM 0 HG23 THR B 22 8.503 -18.597 -4.450 1.00 1.20 H new ATOM 1585 N ILE B 23 5.421 -15.125 -3.979 1.00 0.80 N ATOM 1586 CA ILE B 23 4.587 -13.926 -4.050 1.00 0.73 C ATOM 1587 C ILE B 23 4.311 -13.532 -5.501 1.00 0.72 C ATOM 1588 O ILE B 23 3.180 -13.188 -5.855 1.00 0.66 O ATOM 1589 CB ILE B 23 5.238 -12.731 -3.314 1.00 0.78 C ATOM 1590 CG1 ILE B 23 5.646 -13.124 -1.888 1.00 0.87 C ATOM 1591 CG2 ILE B 23 4.293 -11.534 -3.287 1.00 0.70 C ATOM 1592 CD1 ILE B 23 4.491 -13.561 -1.011 1.00 0.80 C ATOM 0 H ILE B 23 6.304 -14.993 -3.486 1.00 0.80 H new ATOM 0 HA ILE B 23 3.646 -14.170 -3.557 1.00 0.73 H new ATOM 0 HB ILE B 23 6.137 -12.448 -3.861 1.00 0.78 H new ATOM 0 HG12 ILE B 23 6.374 -13.933 -1.940 1.00 0.87 H new ATOM 0 HG13 ILE B 23 6.144 -12.276 -1.418 1.00 0.87 H new ATOM 0 HG21 ILE B 23 4.771 -10.705 -2.765 1.00 0.70 H new ATOM 0 HG22 ILE B 23 4.058 -11.233 -4.308 1.00 0.70 H new ATOM 0 HG23 ILE B 23 3.374 -11.808 -2.769 1.00 0.70 H new ATOM 0 HD11 ILE B 23 4.864 -13.821 -0.021 1.00 0.80 H new ATOM 0 HD12 ILE B 23 3.771 -12.747 -0.925 1.00 0.80 H new ATOM 0 HD13 ILE B 23 4.005 -14.430 -1.455 1.00 0.80 H new ATOM 1604 N GLU B 24 5.345 -13.597 -6.337 1.00 0.80 N ATOM 1605 CA GLU B 24 5.207 -13.260 -7.750 1.00 0.84 C ATOM 1606 C GLU B 24 4.181 -14.180 -8.407 1.00 0.80 C ATOM 1607 O GLU B 24 3.360 -13.740 -9.211 1.00 0.80 O ATOM 1608 CB GLU B 24 6.556 -13.373 -8.468 1.00 0.98 C ATOM 1609 CG GLU B 24 6.490 -13.018 -9.946 1.00 1.20 C ATOM 1610 CD GLU B 24 7.284 -13.971 -10.814 1.00 2.26 C ATOM 1611 OE1 GLU B 24 7.031 -15.192 -10.749 1.00 3.05 O ATOM 1612 OE2 GLU B 24 8.159 -13.504 -11.573 1.00 2.73 O ATOM 0 H GLU B 24 6.285 -13.879 -6.060 1.00 0.80 H new ATOM 0 HA GLU B 24 4.863 -12.229 -7.829 1.00 0.84 H new ATOM 0 HB2 GLU B 24 7.276 -12.718 -7.977 1.00 0.98 H new ATOM 0 HB3 GLU B 24 6.930 -14.392 -8.364 1.00 0.98 H new ATOM 0 HG2 GLU B 24 5.449 -13.021 -10.270 1.00 1.20 H new ATOM 0 HG3 GLU B 24 6.866 -12.005 -10.089 1.00 1.20 H new ATOM 1619 N ASN B 25 4.224 -15.454 -8.033 1.00 0.80 N ATOM 1620 CA ASN B 25 3.301 -16.447 -8.568 1.00 0.79 C ATOM 1621 C ASN B 25 1.867 -16.105 -8.188 1.00 0.71 C ATOM 1622 O ASN B 25 0.958 -16.208 -9.007 1.00 0.72 O ATOM 1623 CB ASN B 25 3.662 -17.843 -8.055 1.00 0.80 C ATOM 1624 CG ASN B 25 2.706 -18.904 -8.556 1.00 0.84 C ATOM 1625 OD1 ASN B 25 1.787 -19.313 -7.848 1.00 1.06 O ATOM 1626 ND2 ASN B 25 2.910 -19.347 -9.785 1.00 1.12 N ATOM 0 H ASN B 25 4.892 -15.824 -7.357 1.00 0.80 H new ATOM 0 HA ASN B 25 3.384 -16.440 -9.655 1.00 0.79 H new ATOM 0 HB2 ASN B 25 4.675 -18.092 -8.370 1.00 0.80 H new ATOM 0 HB3 ASN B 25 3.658 -17.839 -6.965 1.00 0.80 H new ATOM 0 HD21 ASN B 25 2.292 -20.056 -10.181 1.00 1.12 H new ATOM 0 HD22 ASN B 25 3.685 -18.980 -10.337 1.00 1.12 H new ATOM 1633 N VAL B 26 1.678 -15.683 -6.944 1.00 0.67 N ATOM 1634 CA VAL B 26 0.356 -15.309 -6.455 1.00 0.60 C ATOM 1635 C VAL B 26 -0.195 -14.140 -7.266 1.00 0.58 C ATOM 1636 O VAL B 26 -1.355 -14.148 -7.680 1.00 0.58 O ATOM 1637 CB VAL B 26 0.388 -14.916 -4.960 1.00 0.58 C ATOM 1638 CG1 VAL B 26 -1.003 -14.536 -4.463 1.00 0.53 C ATOM 1639 CG2 VAL B 26 0.962 -16.046 -4.122 1.00 0.62 C ATOM 0 H VAL B 26 2.424 -15.591 -6.254 1.00 0.67 H new ATOM 0 HA VAL B 26 -0.289 -16.180 -6.569 1.00 0.60 H new ATOM 0 HB VAL B 26 1.034 -14.044 -4.856 1.00 0.58 H new ATOM 0 HG11 VAL B 26 -0.951 -14.264 -3.409 1.00 0.53 H new ATOM 0 HG12 VAL B 26 -1.376 -13.689 -5.038 1.00 0.53 H new ATOM 0 HG13 VAL B 26 -1.677 -15.383 -4.586 1.00 0.53 H new ATOM 0 HG21 VAL B 26 0.976 -15.750 -3.073 1.00 0.62 H new ATOM 0 HG22 VAL B 26 0.344 -16.936 -4.240 1.00 0.62 H new ATOM 0 HG23 VAL B 26 1.978 -16.263 -4.451 1.00 0.62 H new ATOM 1649 N LYS B 27 0.655 -13.150 -7.511 1.00 0.60 N ATOM 1650 CA LYS B 27 0.265 -11.971 -8.274 1.00 0.60 C ATOM 1651 C LYS B 27 -0.030 -12.335 -9.727 1.00 0.62 C ATOM 1652 O LYS B 27 -0.933 -11.775 -10.353 1.00 0.61 O ATOM 1653 CB LYS B 27 1.365 -10.910 -8.209 1.00 0.64 C ATOM 1654 CG LYS B 27 1.523 -10.284 -6.833 1.00 0.59 C ATOM 1655 CD LYS B 27 2.651 -9.267 -6.808 1.00 0.66 C ATOM 1656 CE LYS B 27 2.715 -8.544 -5.473 1.00 0.96 C ATOM 1657 NZ LYS B 27 3.866 -7.610 -5.405 1.00 0.99 N ATOM 0 H LYS B 27 1.623 -13.141 -7.191 1.00 0.60 H new ATOM 0 HA LYS B 27 -0.645 -11.565 -7.832 1.00 0.60 H new ATOM 0 HB2 LYS B 27 2.312 -11.361 -8.505 1.00 0.64 H new ATOM 0 HB3 LYS B 27 1.145 -10.126 -8.933 1.00 0.64 H new ATOM 0 HG2 LYS B 27 0.590 -9.801 -6.543 1.00 0.59 H new ATOM 0 HG3 LYS B 27 1.719 -11.064 -6.098 1.00 0.59 H new ATOM 0 HD2 LYS B 27 3.600 -9.769 -6.998 1.00 0.66 H new ATOM 0 HD3 LYS B 27 2.508 -8.542 -7.610 1.00 0.66 H new ATOM 0 HE2 LYS B 27 1.789 -7.991 -5.315 1.00 0.96 H new ATOM 0 HE3 LYS B 27 2.792 -9.275 -4.668 1.00 0.96 H new ATOM 0 HZ1 LYS B 27 4.061 -7.371 -4.412 1.00 0.99 H new ATOM 0 HZ2 LYS B 27 4.704 -8.061 -5.823 1.00 0.99 H new ATOM 0 HZ3 LYS B 27 3.641 -6.742 -5.932 1.00 0.99 H new ATOM 1671 N ALA B 28 0.716 -13.300 -10.250 1.00 0.67 N ATOM 1672 CA ALA B 28 0.536 -13.749 -11.623 1.00 0.73 C ATOM 1673 C ALA B 28 -0.727 -14.592 -11.735 1.00 0.71 C ATOM 1674 O ALA B 28 -1.303 -14.741 -12.815 1.00 0.74 O ATOM 1675 CB ALA B 28 1.748 -14.540 -12.092 1.00 0.81 C ATOM 0 H ALA B 28 1.454 -13.788 -9.741 1.00 0.67 H new ATOM 0 HA ALA B 28 0.432 -12.874 -12.265 1.00 0.73 H new ATOM 0 HB1 ALA B 28 1.594 -14.867 -13.120 1.00 0.81 H new ATOM 0 HB2 ALA B 28 2.636 -13.910 -12.041 1.00 0.81 H new ATOM 0 HB3 ALA B 28 1.884 -15.411 -11.451 1.00 0.81 H new ATOM 1681 N LYS B 29 -1.162 -15.130 -10.603 1.00 0.68 N ATOM 1682 CA LYS B 29 -2.363 -15.945 -10.553 1.00 0.70 C ATOM 1683 C LYS B 29 -3.593 -15.050 -10.624 1.00 0.70 C ATOM 1684 O LYS B 29 -4.608 -15.417 -11.217 1.00 0.76 O ATOM 1685 CB LYS B 29 -2.389 -16.795 -9.280 1.00 0.69 C ATOM 1686 CG LYS B 29 -1.668 -18.125 -9.418 1.00 0.74 C ATOM 1687 CD LYS B 29 -1.648 -18.893 -8.104 1.00 0.77 C ATOM 1688 CE LYS B 29 -1.049 -20.280 -8.279 1.00 0.84 C ATOM 1689 NZ LYS B 29 -0.901 -20.992 -6.981 1.00 1.26 N ATOM 0 H LYS B 29 -0.696 -15.014 -9.703 1.00 0.68 H new ATOM 0 HA LYS B 29 -2.366 -16.621 -11.408 1.00 0.70 H new ATOM 0 HB2 LYS B 29 -1.935 -16.229 -8.467 1.00 0.69 H new ATOM 0 HB3 LYS B 29 -3.426 -16.981 -8.999 1.00 0.69 H new ATOM 0 HG2 LYS B 29 -2.158 -18.727 -10.184 1.00 0.74 H new ATOM 0 HG3 LYS B 29 -0.646 -17.952 -9.754 1.00 0.74 H new ATOM 0 HD2 LYS B 29 -1.071 -18.337 -7.365 1.00 0.77 H new ATOM 0 HD3 LYS B 29 -2.663 -18.980 -7.717 1.00 0.77 H new ATOM 0 HE2 LYS B 29 -1.682 -20.867 -8.944 1.00 0.84 H new ATOM 0 HE3 LYS B 29 -0.074 -20.196 -8.759 1.00 0.84 H new ATOM 0 HZ1 LYS B 29 -0.786 -22.011 -7.155 1.00 1.26 H new ATOM 0 HZ2 LYS B 29 -0.065 -20.630 -6.480 1.00 1.26 H new ATOM 0 HZ3 LYS B 29 -1.749 -20.834 -6.400 1.00 1.26 H new ATOM 1703 N ILE B 30 -3.497 -13.868 -10.020 1.00 0.65 N ATOM 1704 CA ILE B 30 -4.589 -12.904 -10.036 1.00 0.67 C ATOM 1705 C ILE B 30 -4.651 -12.222 -11.400 1.00 0.70 C ATOM 1706 O ILE B 30 -5.712 -11.788 -11.855 1.00 0.72 O ATOM 1707 CB ILE B 30 -4.407 -11.836 -8.931 1.00 0.63 C ATOM 1708 CG1 ILE B 30 -4.249 -12.510 -7.563 1.00 0.69 C ATOM 1709 CG2 ILE B 30 -5.583 -10.869 -8.915 1.00 0.67 C ATOM 1710 CD1 ILE B 30 -3.819 -11.565 -6.459 1.00 0.67 C ATOM 0 H ILE B 30 -2.669 -13.556 -9.512 1.00 0.65 H new ATOM 0 HA ILE B 30 -5.520 -13.439 -9.846 1.00 0.67 H new ATOM 0 HB ILE B 30 -3.503 -11.268 -9.148 1.00 0.63 H new ATOM 0 HG12 ILE B 30 -5.197 -12.971 -7.285 1.00 0.69 H new ATOM 0 HG13 ILE B 30 -3.516 -13.313 -7.647 1.00 0.69 H new ATOM 0 HG21 ILE B 30 -5.433 -10.127 -8.130 1.00 0.67 H new ATOM 0 HG22 ILE B 30 -5.655 -10.367 -9.880 1.00 0.67 H new ATOM 0 HG23 ILE B 30 -6.504 -11.419 -8.723 1.00 0.67 H new ATOM 0 HD11 ILE B 30 -3.729 -12.116 -5.523 1.00 0.67 H new ATOM 0 HD12 ILE B 30 -2.856 -11.122 -6.713 1.00 0.67 H new ATOM 0 HD13 ILE B 30 -4.562 -10.776 -6.346 1.00 0.67 H new ATOM 1722 N GLN B 31 -3.502 -12.171 -12.065 1.00 0.74 N ATOM 1723 CA GLN B 31 -3.395 -11.564 -13.384 1.00 0.80 C ATOM 1724 C GLN B 31 -4.169 -12.409 -14.390 1.00 0.88 C ATOM 1725 O GLN B 31 -4.654 -11.916 -15.405 1.00 0.90 O ATOM 1726 CB GLN B 31 -1.924 -11.452 -13.796 1.00 0.83 C ATOM 1727 CG GLN B 31 -1.704 -10.760 -15.133 1.00 0.92 C ATOM 1728 CD GLN B 31 -0.234 -10.573 -15.455 1.00 0.95 C ATOM 1729 OE1 GLN B 31 0.615 -11.339 -15.002 1.00 1.10 O ATOM 1730 NE2 GLN B 31 0.079 -9.557 -16.243 1.00 1.26 N ATOM 0 H GLN B 31 -2.624 -12.547 -11.707 1.00 0.74 H new ATOM 0 HA GLN B 31 -3.819 -10.560 -13.359 1.00 0.80 H new ATOM 0 HB2 GLN B 31 -1.382 -10.907 -13.023 1.00 0.83 H new ATOM 0 HB3 GLN B 31 -1.493 -12.452 -13.842 1.00 0.83 H new ATOM 0 HG2 GLN B 31 -2.174 -11.345 -15.923 1.00 0.92 H new ATOM 0 HG3 GLN B 31 -2.197 -9.788 -15.121 1.00 0.92 H new ATOM 0 HE21 GLN B 31 -0.654 -8.943 -16.599 1.00 1.26 H new ATOM 0 HE22 GLN B 31 1.053 -9.388 -16.494 1.00 1.26 H new ATOM 1739 N ASP B 32 -4.292 -13.688 -14.074 1.00 0.95 N ATOM 1740 CA ASP B 32 -5.019 -14.632 -14.911 1.00 1.04 C ATOM 1741 C ASP B 32 -6.524 -14.379 -14.833 1.00 1.07 C ATOM 1742 O ASP B 32 -7.280 -14.786 -15.714 1.00 1.20 O ATOM 1743 CB ASP B 32 -4.701 -16.065 -14.470 1.00 1.03 C ATOM 1744 CG ASP B 32 -5.595 -17.104 -15.117 1.00 1.52 C ATOM 1745 OD1 ASP B 32 -5.331 -17.481 -16.279 1.00 1.80 O ATOM 1746 OD2 ASP B 32 -6.554 -17.561 -14.462 1.00 2.04 O ATOM 0 H ASP B 32 -3.892 -14.102 -13.232 1.00 0.95 H new ATOM 0 HA ASP B 32 -4.704 -14.495 -15.945 1.00 1.04 H new ATOM 0 HB2 ASP B 32 -3.662 -16.290 -14.710 1.00 1.03 H new ATOM 0 HB3 ASP B 32 -4.800 -16.135 -13.387 1.00 1.03 H new ATOM 1751 N LYS B 33 -6.953 -13.672 -13.792 1.00 0.98 N ATOM 1752 CA LYS B 33 -8.370 -13.386 -13.600 1.00 1.04 C ATOM 1753 C LYS B 33 -8.669 -11.910 -13.857 1.00 1.03 C ATOM 1754 O LYS B 33 -9.328 -11.558 -14.835 1.00 1.08 O ATOM 1755 CB LYS B 33 -8.806 -13.763 -12.177 1.00 0.98 C ATOM 1756 CG LYS B 33 -8.688 -15.247 -11.865 1.00 1.28 C ATOM 1757 CD LYS B 33 -9.331 -15.588 -10.527 1.00 1.27 C ATOM 1758 CE LYS B 33 -9.239 -17.077 -10.218 1.00 1.92 C ATOM 1759 NZ LYS B 33 -10.028 -17.454 -9.013 1.00 2.27 N ATOM 0 H LYS B 33 -6.342 -13.288 -13.071 1.00 0.98 H new ATOM 0 HA LYS B 33 -8.932 -13.985 -14.316 1.00 1.04 H new ATOM 0 HB2 LYS B 33 -8.202 -13.203 -11.463 1.00 0.98 H new ATOM 0 HB3 LYS B 33 -9.841 -13.453 -12.031 1.00 0.98 H new ATOM 0 HG2 LYS B 33 -9.164 -15.825 -12.657 1.00 1.28 H new ATOM 0 HG3 LYS B 33 -7.637 -15.534 -11.849 1.00 1.28 H new ATOM 0 HD2 LYS B 33 -8.843 -15.021 -9.734 1.00 1.27 H new ATOM 0 HD3 LYS B 33 -10.377 -15.283 -10.538 1.00 1.27 H new ATOM 0 HE2 LYS B 33 -9.596 -17.647 -11.076 1.00 1.92 H new ATOM 0 HE3 LYS B 33 -8.195 -17.350 -10.066 1.00 1.92 H new ATOM 0 HZ1 LYS B 33 -10.133 -18.488 -8.976 1.00 2.27 H new ATOM 0 HZ2 LYS B 33 -9.535 -17.125 -8.158 1.00 2.27 H new ATOM 0 HZ3 LYS B 33 -10.968 -17.012 -9.062 1.00 2.27 H new ATOM 1773 N GLU B 34 -8.165 -11.052 -12.977 1.00 0.99 N ATOM 1774 CA GLU B 34 -8.387 -9.611 -13.082 1.00 0.98 C ATOM 1775 C GLU B 34 -7.555 -8.977 -14.198 1.00 0.99 C ATOM 1776 O GLU B 34 -7.830 -7.854 -14.624 1.00 0.99 O ATOM 1777 CB GLU B 34 -8.073 -8.935 -11.749 1.00 0.91 C ATOM 1778 CG GLU B 34 -8.954 -9.413 -10.603 1.00 0.92 C ATOM 1779 CD GLU B 34 -10.434 -9.328 -10.928 1.00 1.10 C ATOM 1780 OE1 GLU B 34 -10.880 -8.281 -11.439 1.00 1.30 O ATOM 1781 OE2 GLU B 34 -11.165 -10.307 -10.670 1.00 1.20 O ATOM 0 H GLU B 34 -7.596 -11.330 -12.177 1.00 0.99 H new ATOM 0 HA GLU B 34 -9.437 -9.461 -13.333 1.00 0.98 H new ATOM 0 HB2 GLU B 34 -7.029 -9.118 -11.495 1.00 0.91 H new ATOM 0 HB3 GLU B 34 -8.189 -7.857 -11.861 1.00 0.91 H new ATOM 0 HG2 GLU B 34 -8.698 -10.444 -10.359 1.00 0.92 H new ATOM 0 HG3 GLU B 34 -8.746 -8.815 -9.716 1.00 0.92 H new ATOM 1788 N GLY B 35 -6.534 -9.691 -14.658 1.00 1.00 N ATOM 1789 CA GLY B 35 -5.690 -9.186 -15.731 1.00 1.02 C ATOM 1790 C GLY B 35 -4.752 -8.071 -15.305 1.00 0.97 C ATOM 1791 O GLY B 35 -4.133 -7.427 -16.149 1.00 1.00 O ATOM 0 H GLY B 35 -6.273 -10.613 -14.308 1.00 1.00 H new ATOM 0 HA2 GLY B 35 -5.100 -10.009 -16.134 1.00 1.02 H new ATOM 0 HA3 GLY B 35 -6.325 -8.824 -16.539 1.00 1.02 H new ATOM 1795 N ILE B 36 -4.650 -7.836 -14.008 1.00 0.89 N ATOM 1796 CA ILE B 36 -3.781 -6.788 -13.487 1.00 0.84 C ATOM 1797 C ILE B 36 -2.335 -7.272 -13.370 1.00 0.83 C ATOM 1798 O ILE B 36 -2.074 -8.309 -12.761 1.00 0.80 O ATOM 1799 CB ILE B 36 -4.273 -6.305 -12.107 1.00 0.79 C ATOM 1800 CG1 ILE B 36 -5.749 -5.908 -12.187 1.00 0.82 C ATOM 1801 CG2 ILE B 36 -3.428 -5.137 -11.620 1.00 0.74 C ATOM 1802 CD1 ILE B 36 -6.413 -5.750 -10.836 1.00 0.81 C ATOM 0 H ILE B 36 -5.158 -8.356 -13.293 1.00 0.89 H new ATOM 0 HA ILE B 36 -3.816 -5.958 -14.192 1.00 0.84 H new ATOM 0 HB ILE B 36 -4.170 -7.120 -11.391 1.00 0.79 H new ATOM 0 HG12 ILE B 36 -5.834 -4.970 -12.735 1.00 0.82 H new ATOM 0 HG13 ILE B 36 -6.288 -6.662 -12.760 1.00 0.82 H new ATOM 0 HG21 ILE B 36 -3.789 -4.809 -10.645 1.00 0.74 H new ATOM 0 HG22 ILE B 36 -2.388 -5.451 -11.535 1.00 0.74 H new ATOM 0 HG23 ILE B 36 -3.502 -4.314 -12.330 1.00 0.74 H new ATOM 0 HD11 ILE B 36 -7.457 -5.468 -10.974 1.00 0.81 H new ATOM 0 HD12 ILE B 36 -6.361 -6.693 -10.292 1.00 0.81 H new ATOM 0 HD13 ILE B 36 -5.900 -4.975 -10.267 1.00 0.81 H new ATOM 1814 N PRO B 37 -1.379 -6.533 -13.967 1.00 0.87 N ATOM 1815 CA PRO B 37 0.046 -6.885 -13.916 1.00 0.88 C ATOM 1816 C PRO B 37 0.588 -6.913 -12.485 1.00 0.79 C ATOM 1817 O PRO B 37 0.237 -6.061 -11.666 1.00 0.71 O ATOM 1818 CB PRO B 37 0.730 -5.770 -14.716 1.00 0.96 C ATOM 1819 CG PRO B 37 -0.351 -5.175 -15.551 1.00 1.01 C ATOM 1820 CD PRO B 37 -1.612 -5.307 -14.751 1.00 0.93 C ATOM 0 HA PRO B 37 0.225 -7.884 -14.315 1.00 0.88 H new ATOM 0 HB2 PRO B 37 1.173 -5.025 -14.055 1.00 0.96 H new ATOM 0 HB3 PRO B 37 1.535 -6.166 -15.336 1.00 0.96 H new ATOM 0 HG2 PRO B 37 -0.139 -4.130 -15.776 1.00 1.01 H new ATOM 0 HG3 PRO B 37 -0.438 -5.695 -16.505 1.00 1.01 H new ATOM 0 HD2 PRO B 37 -1.775 -4.442 -14.108 1.00 0.93 H new ATOM 0 HD3 PRO B 37 -2.489 -5.398 -15.392 1.00 0.93 H new ATOM 1828 N PRO B 38 1.461 -7.889 -12.170 1.00 0.82 N ATOM 1829 CA PRO B 38 2.051 -8.037 -10.830 1.00 0.76 C ATOM 1830 C PRO B 38 2.842 -6.808 -10.378 1.00 0.72 C ATOM 1831 O PRO B 38 2.885 -6.490 -9.188 1.00 0.67 O ATOM 1832 CB PRO B 38 2.987 -9.243 -10.975 1.00 0.86 C ATOM 1833 CG PRO B 38 2.484 -9.981 -12.165 1.00 0.95 C ATOM 1834 CD PRO B 38 1.935 -8.938 -13.093 1.00 0.93 C ATOM 0 HA PRO B 38 1.276 -8.162 -10.073 1.00 0.76 H new ATOM 0 HB2 PRO B 38 4.020 -8.926 -11.115 1.00 0.86 H new ATOM 0 HB3 PRO B 38 2.964 -9.870 -10.083 1.00 0.86 H new ATOM 0 HG2 PRO B 38 3.285 -10.546 -12.642 1.00 0.95 H new ATOM 0 HG3 PRO B 38 1.713 -10.698 -11.883 1.00 0.95 H new ATOM 0 HD2 PRO B 38 2.698 -8.562 -13.774 1.00 0.93 H new ATOM 0 HD3 PRO B 38 1.125 -9.331 -13.708 1.00 0.93 H new ATOM 1842 N ASP B 39 3.448 -6.110 -11.332 1.00 0.79 N ATOM 1843 CA ASP B 39 4.246 -4.917 -11.034 1.00 0.82 C ATOM 1844 C ASP B 39 3.382 -3.766 -10.515 1.00 0.72 C ATOM 1845 O ASP B 39 3.896 -2.786 -9.971 1.00 0.76 O ATOM 1846 CB ASP B 39 5.025 -4.464 -12.274 1.00 0.97 C ATOM 1847 CG ASP B 39 4.156 -4.343 -13.511 1.00 1.25 C ATOM 1848 OD1 ASP B 39 3.399 -3.356 -13.622 1.00 1.92 O ATOM 1849 OD2 ASP B 39 4.236 -5.232 -14.383 1.00 1.76 O ATOM 0 H ASP B 39 3.404 -6.348 -12.323 1.00 0.79 H new ATOM 0 HA ASP B 39 4.949 -5.191 -10.247 1.00 0.82 H new ATOM 0 HB2 ASP B 39 5.493 -3.501 -12.070 1.00 0.97 H new ATOM 0 HB3 ASP B 39 5.829 -5.174 -12.470 1.00 0.97 H new ATOM 1854 N GLN B 40 2.074 -3.895 -10.658 1.00 0.64 N ATOM 1855 CA GLN B 40 1.156 -2.863 -10.201 1.00 0.59 C ATOM 1856 C GLN B 40 0.286 -3.388 -9.067 1.00 0.52 C ATOM 1857 O GLN B 40 -0.706 -2.763 -8.686 1.00 0.54 O ATOM 1858 CB GLN B 40 0.293 -2.368 -11.361 1.00 0.63 C ATOM 1859 CG GLN B 40 1.010 -1.367 -12.251 1.00 0.74 C ATOM 1860 CD GLN B 40 0.490 -1.366 -13.673 1.00 1.26 C ATOM 1861 OE1 GLN B 40 -0.450 -0.644 -14.005 1.00 1.81 O ATOM 1862 NE2 GLN B 40 1.114 -2.159 -14.526 1.00 1.91 N ATOM 0 H GLN B 40 1.623 -4.703 -11.087 1.00 0.64 H new ATOM 0 HA GLN B 40 1.738 -2.022 -9.823 1.00 0.59 H new ATOM 0 HB2 GLN B 40 -0.021 -3.221 -11.963 1.00 0.63 H new ATOM 0 HB3 GLN B 40 -0.612 -1.909 -10.963 1.00 0.63 H new ATOM 0 HG2 GLN B 40 0.900 -0.368 -11.828 1.00 0.74 H new ATOM 0 HG3 GLN B 40 2.076 -1.594 -12.259 1.00 0.74 H new ATOM 0 HE21 GLN B 40 1.889 -2.741 -14.208 1.00 1.91 H new ATOM 0 HE22 GLN B 40 0.821 -2.189 -15.503 1.00 1.91 H new ATOM 1871 N GLN B 41 0.676 -4.535 -8.523 1.00 0.46 N ATOM 1872 CA GLN B 41 -0.056 -5.159 -7.433 1.00 0.42 C ATOM 1873 C GLN B 41 0.689 -4.990 -6.115 1.00 0.46 C ATOM 1874 O GLN B 41 1.765 -5.557 -5.927 1.00 0.69 O ATOM 1875 CB GLN B 41 -0.245 -6.654 -7.697 1.00 0.45 C ATOM 1876 CG GLN B 41 -1.178 -6.985 -8.845 1.00 0.52 C ATOM 1877 CD GLN B 41 -1.454 -8.474 -8.934 1.00 0.59 C ATOM 1878 OE1 GLN B 41 -1.509 -9.166 -7.920 1.00 0.96 O ATOM 1879 NE2 GLN B 41 -1.611 -8.981 -10.142 1.00 0.74 N ATOM 0 H GLN B 41 1.502 -5.053 -8.824 1.00 0.46 H new ATOM 0 HA GLN B 41 -1.028 -4.670 -7.369 1.00 0.42 H new ATOM 0 HB2 GLN B 41 0.729 -7.099 -7.900 1.00 0.45 H new ATOM 0 HB3 GLN B 41 -0.627 -7.123 -6.790 1.00 0.45 H new ATOM 0 HG2 GLN B 41 -2.118 -6.448 -8.716 1.00 0.52 H new ATOM 0 HG3 GLN B 41 -0.739 -6.640 -9.781 1.00 0.52 H new ATOM 0 HE21 GLN B 41 -1.559 -8.374 -10.960 1.00 0.74 H new ATOM 0 HE22 GLN B 41 -1.785 -9.979 -10.257 1.00 0.74 H new ATOM 1888 N ARG B 42 0.135 -4.198 -5.213 1.00 0.36 N ATOM 1889 CA ARG B 42 0.743 -4.006 -3.909 1.00 0.39 C ATOM 1890 C ARG B 42 -0.125 -4.687 -2.863 1.00 0.37 C ATOM 1891 O ARG B 42 -1.211 -4.208 -2.535 1.00 0.43 O ATOM 1892 CB ARG B 42 0.926 -2.519 -3.594 1.00 0.50 C ATOM 1893 CG ARG B 42 1.968 -1.848 -4.474 1.00 0.95 C ATOM 1894 CD ARG B 42 2.384 -0.493 -3.929 1.00 1.32 C ATOM 1895 NE ARG B 42 3.398 0.141 -4.776 1.00 1.97 N ATOM 1896 CZ ARG B 42 3.786 1.413 -4.666 1.00 2.64 C ATOM 1897 NH1 ARG B 42 3.312 2.182 -3.696 1.00 3.02 N ATOM 1898 NH2 ARG B 42 4.685 1.905 -5.508 1.00 3.22 N ATOM 0 H ARG B 42 -0.731 -3.680 -5.359 1.00 0.36 H new ATOM 0 HA ARG B 42 1.737 -4.453 -3.904 1.00 0.39 H new ATOM 0 HB2 ARG B 42 -0.029 -2.007 -3.717 1.00 0.50 H new ATOM 0 HB3 ARG B 42 1.215 -2.408 -2.549 1.00 0.50 H new ATOM 0 HG2 ARG B 42 2.844 -2.491 -4.554 1.00 0.95 H new ATOM 0 HG3 ARG B 42 1.569 -1.727 -5.481 1.00 0.95 H new ATOM 0 HD2 ARG B 42 1.511 0.155 -3.859 1.00 1.32 H new ATOM 0 HD3 ARG B 42 2.775 -0.611 -2.919 1.00 1.32 H new ATOM 0 HE ARG B 42 3.837 -0.429 -5.499 1.00 1.97 H new ATOM 0 HH11 ARG B 42 2.644 1.803 -3.025 1.00 3.02 H new ATOM 0 HH12 ARG B 42 3.615 3.153 -3.621 1.00 3.02 H new ATOM 0 HH21 ARG B 42 5.079 1.311 -6.238 1.00 3.22 H new ATOM 0 HH22 ARG B 42 4.983 2.877 -5.425 1.00 3.22 H new ATOM 1912 N LEU B 43 0.348 -5.823 -2.370 1.00 0.38 N ATOM 1913 CA LEU B 43 -0.393 -6.598 -1.387 1.00 0.41 C ATOM 1914 C LEU B 43 -0.091 -6.135 0.032 1.00 0.41 C ATOM 1915 O LEU B 43 1.059 -5.858 0.382 1.00 0.45 O ATOM 1916 CB LEU B 43 -0.064 -8.086 -1.532 1.00 0.46 C ATOM 1917 CG LEU B 43 -0.536 -8.738 -2.834 1.00 0.64 C ATOM 1918 CD1 LEU B 43 0.131 -10.092 -3.023 1.00 1.33 C ATOM 1919 CD2 LEU B 43 -2.051 -8.892 -2.837 1.00 0.85 C ATOM 0 H LEU B 43 1.245 -6.229 -2.636 1.00 0.38 H new ATOM 0 HA LEU B 43 -1.456 -6.442 -1.573 1.00 0.41 H new ATOM 0 HB2 LEU B 43 1.016 -8.212 -1.453 1.00 0.46 H new ATOM 0 HB3 LEU B 43 -0.509 -8.623 -0.694 1.00 0.46 H new ATOM 0 HG LEU B 43 -0.252 -8.091 -3.664 1.00 0.64 H new ATOM 0 HD11 LEU B 43 -0.216 -10.542 -3.953 1.00 1.33 H new ATOM 0 HD12 LEU B 43 1.212 -9.962 -3.064 1.00 1.33 H new ATOM 0 HD13 LEU B 43 -0.125 -10.744 -2.188 1.00 1.33 H new ATOM 0 HD21 LEU B 43 -2.368 -9.357 -3.771 1.00 0.85 H new ATOM 0 HD22 LEU B 43 -2.355 -9.518 -1.998 1.00 0.85 H new ATOM 0 HD23 LEU B 43 -2.517 -7.911 -2.744 1.00 0.85 H new ATOM 1931 N ILE B 44 -1.137 -6.065 0.841 1.00 0.39 N ATOM 1932 CA ILE B 44 -1.030 -5.647 2.229 1.00 0.43 C ATOM 1933 C ILE B 44 -1.773 -6.640 3.120 1.00 0.45 C ATOM 1934 O ILE B 44 -2.827 -7.151 2.743 1.00 0.47 O ATOM 1935 CB ILE B 44 -1.603 -4.219 2.434 1.00 0.47 C ATOM 1936 CG1 ILE B 44 -0.763 -3.186 1.674 1.00 0.64 C ATOM 1937 CG2 ILE B 44 -1.666 -3.854 3.911 1.00 0.52 C ATOM 1938 CD1 ILE B 44 -1.425 -2.666 0.420 1.00 1.03 C ATOM 0 H ILE B 44 -2.087 -6.297 0.552 1.00 0.39 H new ATOM 0 HA ILE B 44 0.025 -5.627 2.501 1.00 0.43 H new ATOM 0 HB ILE B 44 -2.618 -4.212 2.037 1.00 0.47 H new ATOM 0 HG12 ILE B 44 -0.550 -2.347 2.336 1.00 0.64 H new ATOM 0 HG13 ILE B 44 0.195 -3.634 1.409 1.00 0.64 H new ATOM 0 HG21 ILE B 44 -2.072 -2.848 4.020 1.00 0.52 H new ATOM 0 HG22 ILE B 44 -2.308 -4.563 4.434 1.00 0.52 H new ATOM 0 HG23 ILE B 44 -0.664 -3.889 4.338 1.00 0.52 H new ATOM 0 HD11 ILE B 44 -0.771 -1.940 -0.063 1.00 1.03 H new ATOM 0 HD12 ILE B 44 -1.613 -3.495 -0.262 1.00 1.03 H new ATOM 0 HD13 ILE B 44 -2.369 -2.187 0.679 1.00 1.03 H new ATOM 1950 N PHE B 45 -1.214 -6.913 4.285 1.00 0.48 N ATOM 1951 CA PHE B 45 -1.805 -7.841 5.234 1.00 0.52 C ATOM 1952 C PHE B 45 -1.572 -7.337 6.650 1.00 0.58 C ATOM 1953 O PHE B 45 -0.476 -6.900 6.974 1.00 0.57 O ATOM 1954 CB PHE B 45 -1.196 -9.240 5.060 1.00 0.64 C ATOM 1955 CG PHE B 45 -1.624 -10.229 6.112 1.00 0.72 C ATOM 1956 CD1 PHE B 45 -2.892 -10.790 6.084 1.00 0.92 C ATOM 1957 CD2 PHE B 45 -0.758 -10.595 7.132 1.00 1.19 C ATOM 1958 CE1 PHE B 45 -3.287 -11.695 7.050 1.00 0.99 C ATOM 1959 CE2 PHE B 45 -1.147 -11.501 8.102 1.00 1.31 C ATOM 1960 CZ PHE B 45 -2.413 -12.052 8.060 1.00 0.97 C ATOM 0 H PHE B 45 -0.337 -6.498 4.601 1.00 0.48 H new ATOM 0 HA PHE B 45 -2.877 -7.907 5.050 1.00 0.52 H new ATOM 0 HB2 PHE B 45 -1.473 -9.626 4.079 1.00 0.64 H new ATOM 0 HB3 PHE B 45 -0.109 -9.157 5.075 1.00 0.64 H new ATOM 0 HD1 PHE B 45 -3.579 -10.516 5.297 1.00 0.92 H new ATOM 0 HD2 PHE B 45 0.233 -10.167 7.169 1.00 1.19 H new ATOM 0 HE1 PHE B 45 -4.278 -12.123 7.016 1.00 0.99 H new ATOM 0 HE2 PHE B 45 -0.462 -11.777 8.890 1.00 1.31 H new ATOM 0 HZ PHE B 45 -2.720 -12.761 8.815 1.00 0.97 H new ATOM 1970 N ALA B 46 -2.612 -7.391 7.478 1.00 0.75 N ATOM 1971 CA ALA B 46 -2.534 -6.947 8.873 1.00 0.94 C ATOM 1972 C ALA B 46 -1.975 -5.526 9.007 1.00 0.87 C ATOM 1973 O ALA B 46 -1.348 -5.190 10.014 1.00 0.92 O ATOM 1974 CB ALA B 46 -1.697 -7.923 9.690 1.00 1.07 C ATOM 0 H ALA B 46 -3.530 -7.742 7.206 1.00 0.75 H new ATOM 0 HA ALA B 46 -3.552 -6.927 9.261 1.00 0.94 H new ATOM 0 HB1 ALA B 46 -1.647 -7.582 10.724 1.00 1.07 H new ATOM 0 HB2 ALA B 46 -2.154 -8.912 9.656 1.00 1.07 H new ATOM 0 HB3 ALA B 46 -0.690 -7.974 9.276 1.00 1.07 H new ATOM 1980 N GLY B 47 -2.212 -4.693 8.002 1.00 0.83 N ATOM 1981 CA GLY B 47 -1.731 -3.322 8.042 1.00 0.87 C ATOM 1982 C GLY B 47 -0.291 -3.153 7.590 1.00 0.74 C ATOM 1983 O GLY B 47 0.259 -2.054 7.682 1.00 0.85 O ATOM 0 H GLY B 47 -2.729 -4.941 7.158 1.00 0.83 H new ATOM 0 HA2 GLY B 47 -2.372 -2.706 7.412 1.00 0.87 H new ATOM 0 HA3 GLY B 47 -1.827 -2.945 9.060 1.00 0.87 H new ATOM 1987 N LYS B 48 0.323 -4.223 7.108 1.00 0.58 N ATOM 1988 CA LYS B 48 1.704 -4.165 6.644 1.00 0.54 C ATOM 1989 C LYS B 48 1.821 -4.721 5.233 1.00 0.51 C ATOM 1990 O LYS B 48 1.037 -5.577 4.827 1.00 0.55 O ATOM 1991 CB LYS B 48 2.619 -4.942 7.598 1.00 0.56 C ATOM 1992 CG LYS B 48 2.313 -6.430 7.671 1.00 1.38 C ATOM 1993 CD LYS B 48 2.902 -7.073 8.915 1.00 1.44 C ATOM 1994 CE LYS B 48 2.361 -6.445 10.192 1.00 2.31 C ATOM 1995 NZ LYS B 48 3.322 -5.470 10.774 1.00 2.94 N ATOM 0 H LYS B 48 -0.112 -5.142 7.027 1.00 0.58 H new ATOM 0 HA LYS B 48 2.017 -3.121 6.629 1.00 0.54 H new ATOM 0 HB2 LYS B 48 3.654 -4.809 7.282 1.00 0.56 H new ATOM 0 HB3 LYS B 48 2.533 -4.514 8.597 1.00 0.56 H new ATOM 0 HG2 LYS B 48 1.233 -6.579 7.663 1.00 1.38 H new ATOM 0 HG3 LYS B 48 2.710 -6.925 6.785 1.00 1.38 H new ATOM 0 HD2 LYS B 48 2.678 -8.140 8.912 1.00 1.44 H new ATOM 0 HD3 LYS B 48 3.987 -6.975 8.894 1.00 1.44 H new ATOM 0 HE2 LYS B 48 1.417 -5.943 9.979 1.00 2.31 H new ATOM 0 HE3 LYS B 48 2.149 -7.227 10.921 1.00 2.31 H new ATOM 0 HZ1 LYS B 48 3.853 -5.924 11.545 1.00 2.94 H new ATOM 0 HZ2 LYS B 48 3.984 -5.153 10.037 1.00 2.94 H new ATOM 0 HZ3 LYS B 48 2.802 -4.651 11.148 1.00 2.94 H new ATOM 2006 N GLN B 49 2.788 -4.224 4.484 1.00 0.54 N ATOM 2007 CA GLN B 49 3.000 -4.687 3.121 1.00 0.54 C ATOM 2008 C GLN B 49 3.927 -5.895 3.125 1.00 0.54 C ATOM 2009 O GLN B 49 4.854 -5.969 3.931 1.00 0.66 O ATOM 2010 CB GLN B 49 3.589 -3.567 2.259 1.00 0.61 C ATOM 2011 CG GLN B 49 3.765 -3.950 0.795 1.00 0.91 C ATOM 2012 CD GLN B 49 4.481 -2.883 -0.013 1.00 1.34 C ATOM 2013 OE1 GLN B 49 5.311 -2.141 0.510 1.00 1.56 O ATOM 2014 NE2 GLN B 49 4.167 -2.800 -1.297 1.00 2.24 N ATOM 0 H GLN B 49 3.438 -3.502 4.793 1.00 0.54 H new ATOM 0 HA GLN B 49 2.040 -4.977 2.695 1.00 0.54 H new ATOM 0 HB2 GLN B 49 2.941 -2.693 2.321 1.00 0.61 H new ATOM 0 HB3 GLN B 49 4.556 -3.276 2.668 1.00 0.61 H new ATOM 0 HG2 GLN B 49 4.326 -4.883 0.734 1.00 0.91 H new ATOM 0 HG3 GLN B 49 2.786 -4.137 0.353 1.00 0.91 H new ATOM 0 HE21 GLN B 49 3.473 -3.433 -1.694 1.00 2.24 H new ATOM 0 HE22 GLN B 49 4.619 -2.103 -1.888 1.00 2.24 H new ATOM 2023 N LEU B 50 3.676 -6.837 2.229 1.00 0.60 N ATOM 2024 CA LEU B 50 4.497 -8.033 2.149 1.00 0.66 C ATOM 2025 C LEU B 50 5.431 -7.958 0.950 1.00 0.68 C ATOM 2026 O LEU B 50 5.000 -7.678 -0.173 1.00 0.66 O ATOM 2027 CB LEU B 50 3.630 -9.297 2.077 1.00 0.70 C ATOM 2028 CG LEU B 50 2.421 -9.220 1.144 1.00 1.06 C ATOM 2029 CD1 LEU B 50 2.330 -10.475 0.290 1.00 1.76 C ATOM 2030 CD2 LEU B 50 1.143 -9.034 1.949 1.00 1.23 C ATOM 0 H LEU B 50 2.915 -6.796 1.551 1.00 0.60 H new ATOM 0 HA LEU B 50 5.098 -8.090 3.057 1.00 0.66 H new ATOM 0 HB2 LEU B 50 4.259 -10.129 1.759 1.00 0.70 H new ATOM 0 HB3 LEU B 50 3.276 -9.530 3.081 1.00 0.70 H new ATOM 0 HG LEU B 50 2.545 -8.361 0.485 1.00 1.06 H new ATOM 0 HD11 LEU B 50 1.464 -10.405 -0.369 1.00 1.76 H new ATOM 0 HD12 LEU B 50 3.235 -10.574 -0.309 1.00 1.76 H new ATOM 0 HD13 LEU B 50 2.225 -11.347 0.935 1.00 1.76 H new ATOM 0 HD21 LEU B 50 0.291 -8.981 1.272 1.00 1.23 H new ATOM 0 HD22 LEU B 50 1.015 -9.877 2.628 1.00 1.23 H new ATOM 0 HD23 LEU B 50 1.207 -8.111 2.525 1.00 1.23 H new ATOM 2042 N GLU B 51 6.713 -8.184 1.203 1.00 0.75 N ATOM 2043 CA GLU B 51 7.724 -8.150 0.160 1.00 0.83 C ATOM 2044 C GLU B 51 7.607 -9.368 -0.745 1.00 0.76 C ATOM 2045 O GLU B 51 7.214 -10.446 -0.300 1.00 0.70 O ATOM 2046 CB GLU B 51 9.117 -8.094 0.782 1.00 1.00 C ATOM 2047 CG GLU B 51 9.334 -6.886 1.677 1.00 1.33 C ATOM 2048 CD GLU B 51 10.566 -7.019 2.542 1.00 1.68 C ATOM 2049 OE1 GLU B 51 11.690 -6.905 2.009 1.00 2.36 O ATOM 2050 OE2 GLU B 51 10.423 -7.242 3.762 1.00 2.14 O ATOM 0 H GLU B 51 7.078 -8.395 2.132 1.00 0.75 H new ATOM 0 HA GLU B 51 7.565 -7.256 -0.443 1.00 0.83 H new ATOM 0 HB2 GLU B 51 9.283 -9.001 1.363 1.00 1.00 H new ATOM 0 HB3 GLU B 51 9.861 -8.085 -0.014 1.00 1.00 H new ATOM 0 HG2 GLU B 51 9.422 -5.992 1.060 1.00 1.33 H new ATOM 0 HG3 GLU B 51 8.460 -6.748 2.314 1.00 1.33 H new ATOM 2057 N ASP B 52 7.973 -9.193 -2.006 1.00 0.84 N ATOM 2058 CA ASP B 52 7.898 -10.271 -2.987 1.00 0.88 C ATOM 2059 C ASP B 52 9.002 -11.296 -2.757 1.00 0.92 C ATOM 2060 O ASP B 52 8.861 -12.469 -3.107 1.00 1.42 O ATOM 2061 CB ASP B 52 8.005 -9.714 -4.412 1.00 1.02 C ATOM 2062 CG ASP B 52 6.848 -8.807 -4.782 1.00 1.11 C ATOM 2063 OD1 ASP B 52 6.822 -7.648 -4.314 1.00 1.32 O ATOM 2064 OD2 ASP B 52 5.961 -9.240 -5.546 1.00 1.52 O ATOM 0 H ASP B 52 8.327 -8.311 -2.377 1.00 0.84 H new ATOM 0 HA ASP B 52 6.932 -10.761 -2.866 1.00 0.88 H new ATOM 0 HB2 ASP B 52 8.939 -9.161 -4.511 1.00 1.02 H new ATOM 0 HB3 ASP B 52 8.049 -10.543 -5.118 1.00 1.02 H new ATOM 2069 N GLY B 53 10.102 -10.844 -2.171 1.00 0.79 N ATOM 2070 CA GLY B 53 11.218 -11.730 -1.906 1.00 0.88 C ATOM 2071 C GLY B 53 11.024 -12.572 -0.660 1.00 0.84 C ATOM 2072 O GLY B 53 11.719 -13.568 -0.467 1.00 0.93 O ATOM 0 H GLY B 53 10.242 -9.878 -1.874 1.00 0.79 H new ATOM 0 HA2 GLY B 53 11.364 -12.388 -2.763 1.00 0.88 H new ATOM 0 HA3 GLY B 53 12.127 -11.138 -1.800 1.00 0.88 H new ATOM 2076 N ARG B 54 10.079 -12.183 0.183 1.00 0.76 N ATOM 2077 CA ARG B 54 9.813 -12.918 1.414 1.00 0.79 C ATOM 2078 C ARG B 54 8.695 -13.929 1.200 1.00 0.72 C ATOM 2079 O ARG B 54 8.136 -14.020 0.108 1.00 0.69 O ATOM 2080 CB ARG B 54 9.461 -11.958 2.551 1.00 0.83 C ATOM 2081 CG ARG B 54 10.656 -11.172 3.066 1.00 1.00 C ATOM 2082 CD ARG B 54 10.604 -10.995 4.575 1.00 1.22 C ATOM 2083 NE ARG B 54 10.304 -9.620 4.961 1.00 2.01 N ATOM 2084 CZ ARG B 54 10.004 -9.241 6.201 1.00 2.69 C ATOM 2085 NH1 ARG B 54 9.911 -10.135 7.178 1.00 2.90 N ATOM 2086 NH2 ARG B 54 9.780 -7.958 6.453 1.00 3.65 N ATOM 0 H ARG B 54 9.485 -11.366 0.040 1.00 0.76 H new ATOM 0 HA ARG B 54 10.717 -13.459 1.693 1.00 0.79 H new ATOM 0 HB2 ARG B 54 8.698 -11.261 2.205 1.00 0.83 H new ATOM 0 HB3 ARG B 54 9.026 -12.525 3.374 1.00 0.83 H new ATOM 0 HG2 ARG B 54 11.576 -11.687 2.791 1.00 1.00 H new ATOM 0 HG3 ARG B 54 10.683 -10.194 2.585 1.00 1.00 H new ATOM 0 HD2 ARG B 54 9.847 -11.660 4.991 1.00 1.22 H new ATOM 0 HD3 ARG B 54 11.560 -11.291 5.007 1.00 1.22 H new ATOM 0 HE ARG B 54 10.326 -8.904 4.235 1.00 2.01 H new ATOM 0 HH11 ARG B 54 10.070 -11.123 6.982 1.00 2.90 H new ATOM 0 HH12 ARG B 54 9.681 -9.834 8.125 1.00 2.90 H new ATOM 0 HH21 ARG B 54 9.838 -7.273 5.700 1.00 3.65 H new ATOM 0 HH22 ARG B 54 9.549 -7.657 7.400 1.00 3.65 H new ATOM 2100 N THR B 55 8.370 -14.687 2.236 1.00 0.72 N ATOM 2101 CA THR B 55 7.323 -15.695 2.138 1.00 0.68 C ATOM 2102 C THR B 55 6.131 -15.353 3.026 1.00 0.66 C ATOM 2103 O THR B 55 6.255 -14.580 3.977 1.00 0.69 O ATOM 2104 CB THR B 55 7.861 -17.085 2.524 1.00 0.75 C ATOM 2105 OG1 THR B 55 9.190 -16.964 3.052 1.00 0.90 O ATOM 2106 CG2 THR B 55 7.868 -18.016 1.321 1.00 0.76 C ATOM 0 H THR B 55 8.814 -14.625 3.152 1.00 0.72 H new ATOM 0 HA THR B 55 6.992 -15.710 1.100 1.00 0.68 H new ATOM 0 HB THR B 55 7.205 -17.508 3.284 1.00 0.75 H new ATOM 0 HG1 THR B 55 9.527 -17.851 3.297 1.00 0.90 H new ATOM 0 HG21 THR B 55 8.252 -18.992 1.618 1.00 0.76 H new ATOM 0 HG22 THR B 55 6.853 -18.126 0.940 1.00 0.76 H new ATOM 0 HG23 THR B 55 8.504 -17.598 0.541 1.00 0.76 H new ATOM 2114 N LEU B 56 4.982 -15.945 2.709 1.00 0.63 N ATOM 2115 CA LEU B 56 3.752 -15.719 3.464 1.00 0.63 C ATOM 2116 C LEU B 56 3.927 -16.119 4.928 1.00 0.70 C ATOM 2117 O LEU B 56 3.482 -15.418 5.839 1.00 0.71 O ATOM 2118 CB LEU B 56 2.605 -16.526 2.848 1.00 0.62 C ATOM 2119 CG LEU B 56 2.343 -16.273 1.360 1.00 0.58 C ATOM 2120 CD1 LEU B 56 1.424 -17.344 0.796 1.00 1.15 C ATOM 2121 CD2 LEU B 56 1.742 -14.890 1.150 1.00 1.26 C ATOM 0 H LEU B 56 4.877 -16.591 1.927 1.00 0.63 H new ATOM 0 HA LEU B 56 3.518 -14.655 3.420 1.00 0.63 H new ATOM 0 HB2 LEU B 56 2.815 -17.587 2.986 1.00 0.62 H new ATOM 0 HB3 LEU B 56 1.692 -16.307 3.402 1.00 0.62 H new ATOM 0 HG LEU B 56 3.294 -16.317 0.829 1.00 0.58 H new ATOM 0 HD11 LEU B 56 1.247 -17.151 -0.262 1.00 1.15 H new ATOM 0 HD12 LEU B 56 1.890 -18.322 0.913 1.00 1.15 H new ATOM 0 HD13 LEU B 56 0.475 -17.328 1.332 1.00 1.15 H new ATOM 0 HD21 LEU B 56 1.563 -14.729 0.087 1.00 1.26 H new ATOM 0 HD22 LEU B 56 0.799 -14.817 1.692 1.00 1.26 H new ATOM 0 HD23 LEU B 56 2.433 -14.133 1.521 1.00 1.26 H new ATOM 2133 N SER B 57 4.586 -17.249 5.139 1.00 0.76 N ATOM 2134 CA SER B 57 4.837 -17.775 6.471 1.00 0.85 C ATOM 2135 C SER B 57 5.666 -16.812 7.321 1.00 0.90 C ATOM 2136 O SER B 57 5.496 -16.753 8.537 1.00 0.98 O ATOM 2137 CB SER B 57 5.552 -19.116 6.340 1.00 0.95 C ATOM 2138 OG SER B 57 5.609 -19.512 4.977 1.00 0.98 O ATOM 0 H SER B 57 4.962 -17.828 4.388 1.00 0.76 H new ATOM 0 HA SER B 57 3.881 -17.903 6.979 1.00 0.85 H new ATOM 0 HB2 SER B 57 6.561 -19.040 6.746 1.00 0.95 H new ATOM 0 HB3 SER B 57 5.030 -19.873 6.924 1.00 0.95 H new ATOM 0 HG SER B 57 6.368 -19.072 4.540 1.00 0.98 H new ATOM 2144 N ASP B 58 6.533 -16.031 6.678 1.00 0.87 N ATOM 2145 CA ASP B 58 7.385 -15.087 7.403 1.00 0.93 C ATOM 2146 C ASP B 58 6.563 -13.932 7.964 1.00 0.91 C ATOM 2147 O ASP B 58 6.976 -13.252 8.905 1.00 0.95 O ATOM 2148 CB ASP B 58 8.502 -14.557 6.499 1.00 0.97 C ATOM 2149 CG ASP B 58 9.607 -13.878 7.287 1.00 1.14 C ATOM 2150 OD1 ASP B 58 10.042 -14.436 8.316 1.00 1.16 O ATOM 2151 OD2 ASP B 58 10.053 -12.787 6.882 1.00 1.61 O ATOM 0 H ASP B 58 6.664 -16.032 5.666 1.00 0.87 H new ATOM 0 HA ASP B 58 7.841 -15.620 8.237 1.00 0.93 H new ATOM 0 HB2 ASP B 58 8.923 -15.382 5.924 1.00 0.97 H new ATOM 0 HB3 ASP B 58 8.082 -13.850 5.783 1.00 0.97 H new ATOM 2156 N TYR B 59 5.391 -13.713 7.382 1.00 0.86 N ATOM 2157 CA TYR B 59 4.501 -12.655 7.837 1.00 0.87 C ATOM 2158 C TYR B 59 3.399 -13.232 8.713 1.00 0.88 C ATOM 2159 O TYR B 59 2.534 -12.499 9.193 1.00 0.91 O ATOM 2160 CB TYR B 59 3.882 -11.918 6.649 1.00 0.81 C ATOM 2161 CG TYR B 59 4.856 -11.047 5.899 1.00 0.78 C ATOM 2162 CD1 TYR B 59 5.089 -9.734 6.291 1.00 0.84 C ATOM 2163 CD2 TYR B 59 5.543 -11.533 4.796 1.00 0.78 C ATOM 2164 CE1 TYR B 59 5.978 -8.931 5.603 1.00 0.87 C ATOM 2165 CE2 TYR B 59 6.433 -10.739 4.105 1.00 0.80 C ATOM 2166 CZ TYR B 59 6.648 -9.440 4.512 1.00 0.83 C ATOM 2167 OH TYR B 59 7.534 -8.646 3.820 1.00 0.90 O ATOM 0 H TYR B 59 5.035 -14.254 6.594 1.00 0.86 H new ATOM 0 HA TYR B 59 5.089 -11.946 8.420 1.00 0.87 H new ATOM 0 HB2 TYR B 59 3.458 -12.649 5.961 1.00 0.81 H new ATOM 0 HB3 TYR B 59 3.057 -11.301 7.006 1.00 0.81 H new ATOM 0 HD1 TYR B 59 4.566 -9.335 7.148 1.00 0.84 H new ATOM 0 HD2 TYR B 59 5.378 -12.550 4.473 1.00 0.78 H new ATOM 0 HE1 TYR B 59 6.147 -7.912 5.918 1.00 0.87 H new ATOM 0 HE2 TYR B 59 6.960 -11.133 3.248 1.00 0.80 H new ATOM 0 HH TYR B 59 8.238 -9.205 3.430 1.00 0.90 H new ATOM 2177 N ASN B 60 3.445 -14.552 8.905 1.00 0.89 N ATOM 2178 CA ASN B 60 2.469 -15.279 9.721 1.00 0.92 C ATOM 2179 C ASN B 60 1.119 -15.351 9.017 1.00 0.86 C ATOM 2180 O ASN B 60 0.067 -15.358 9.657 1.00 0.89 O ATOM 2181 CB ASN B 60 2.312 -14.649 11.111 1.00 1.00 C ATOM 2182 CG ASN B 60 3.441 -15.024 12.048 1.00 1.48 C ATOM 2183 OD1 ASN B 60 3.399 -16.065 12.703 1.00 2.05 O ATOM 2184 ND2 ASN B 60 4.458 -14.180 12.123 1.00 1.91 N ATOM 0 H ASN B 60 4.164 -15.150 8.497 1.00 0.89 H new ATOM 0 HA ASN B 60 2.848 -16.292 9.854 1.00 0.92 H new ATOM 0 HB2 ASN B 60 2.271 -13.564 11.012 1.00 1.00 H new ATOM 0 HB3 ASN B 60 1.364 -14.966 11.545 1.00 1.00 H new ATOM 0 HD21 ASN B 60 5.244 -14.383 12.740 1.00 1.91 H new ATOM 0 HD22 ASN B 60 4.455 -13.327 11.563 1.00 1.91 H new ATOM 2191 N ILE B 61 1.157 -15.414 7.695 1.00 0.80 N ATOM 2192 CA ILE B 61 -0.058 -15.495 6.902 1.00 0.74 C ATOM 2193 C ILE B 61 -0.571 -16.931 6.847 1.00 0.74 C ATOM 2194 O ILE B 61 0.058 -17.811 6.257 1.00 0.73 O ATOM 2195 CB ILE B 61 0.167 -14.963 5.471 1.00 0.68 C ATOM 2196 CG1 ILE B 61 0.590 -13.492 5.518 1.00 0.70 C ATOM 2197 CG2 ILE B 61 -1.090 -15.135 4.626 1.00 0.66 C ATOM 2198 CD1 ILE B 61 0.913 -12.905 4.161 1.00 0.65 C ATOM 0 H ILE B 61 2.018 -15.411 7.149 1.00 0.80 H new ATOM 0 HA ILE B 61 -0.807 -14.868 7.386 1.00 0.74 H new ATOM 0 HB ILE B 61 0.966 -15.542 5.007 1.00 0.68 H new ATOM 0 HG12 ILE B 61 -0.209 -12.908 5.975 1.00 0.70 H new ATOM 0 HG13 ILE B 61 1.464 -13.395 6.162 1.00 0.70 H new ATOM 0 HG21 ILE B 61 -0.908 -14.753 3.621 1.00 0.66 H new ATOM 0 HG22 ILE B 61 -1.350 -16.192 4.571 1.00 0.66 H new ATOM 0 HG23 ILE B 61 -1.912 -14.583 5.081 1.00 0.66 H new ATOM 0 HD11 ILE B 61 1.204 -11.861 4.276 1.00 0.65 H new ATOM 0 HD12 ILE B 61 1.733 -13.463 3.709 1.00 0.65 H new ATOM 0 HD13 ILE B 61 0.034 -12.968 3.519 1.00 0.65 H new ATOM 2210 N GLN B 62 -1.705 -17.154 7.492 1.00 0.80 N ATOM 2211 CA GLN B 62 -2.323 -18.471 7.529 1.00 0.81 C ATOM 2212 C GLN B 62 -3.330 -18.616 6.394 1.00 0.75 C ATOM 2213 O GLN B 62 -3.440 -17.739 5.533 1.00 0.70 O ATOM 2214 CB GLN B 62 -3.013 -18.694 8.880 1.00 0.91 C ATOM 2215 CG GLN B 62 -2.066 -18.639 10.071 1.00 1.02 C ATOM 2216 CD GLN B 62 -0.913 -19.614 9.945 1.00 1.22 C ATOM 2217 OE1 GLN B 62 0.141 -19.284 9.398 1.00 1.83 O ATOM 2218 NE2 GLN B 62 -1.103 -20.823 10.446 1.00 1.51 N ATOM 0 H GLN B 62 -2.220 -16.435 8.000 1.00 0.80 H new ATOM 0 HA GLN B 62 -1.545 -19.224 7.403 1.00 0.81 H new ATOM 0 HB2 GLN B 62 -3.789 -17.940 9.010 1.00 0.91 H new ATOM 0 HB3 GLN B 62 -3.510 -19.664 8.868 1.00 0.91 H new ATOM 0 HG2 GLN B 62 -1.672 -17.628 10.171 1.00 1.02 H new ATOM 0 HG3 GLN B 62 -2.622 -18.856 10.983 1.00 1.02 H new ATOM 0 HE21 GLN B 62 -1.990 -21.057 10.891 1.00 1.51 H new ATOM 0 HE22 GLN B 62 -0.362 -21.522 10.387 1.00 1.51 H new ATOM 2227 N LYS B 63 -4.059 -19.722 6.380 1.00 0.78 N ATOM 2228 CA LYS B 63 -5.060 -19.947 5.351 1.00 0.77 C ATOM 2229 C LYS B 63 -6.290 -19.095 5.637 1.00 0.77 C ATOM 2230 O LYS B 63 -6.556 -18.753 6.793 1.00 0.82 O ATOM 2231 CB LYS B 63 -5.447 -21.429 5.274 1.00 0.81 C ATOM 2232 CG LYS B 63 -5.836 -22.034 6.611 1.00 0.91 C ATOM 2233 CD LYS B 63 -6.481 -23.398 6.438 1.00 1.12 C ATOM 2234 CE LYS B 63 -6.679 -24.091 7.775 1.00 1.66 C ATOM 2235 NZ LYS B 63 -7.462 -25.349 7.640 1.00 2.28 N ATOM 0 H LYS B 63 -3.976 -20.473 7.065 1.00 0.78 H new ATOM 0 HA LYS B 63 -4.638 -19.660 4.388 1.00 0.77 H new ATOM 0 HB2 LYS B 63 -6.280 -21.541 4.580 1.00 0.81 H new ATOM 0 HB3 LYS B 63 -4.610 -21.992 4.861 1.00 0.81 H new ATOM 0 HG2 LYS B 63 -4.951 -22.126 7.241 1.00 0.91 H new ATOM 0 HG3 LYS B 63 -6.527 -21.367 7.126 1.00 0.91 H new ATOM 0 HD2 LYS B 63 -7.443 -23.286 5.938 1.00 1.12 H new ATOM 0 HD3 LYS B 63 -5.857 -24.018 5.794 1.00 1.12 H new ATOM 0 HE2 LYS B 63 -5.707 -24.314 8.215 1.00 1.66 H new ATOM 0 HE3 LYS B 63 -7.192 -23.416 8.461 1.00 1.66 H new ATOM 0 HZ1 LYS B 63 -7.574 -25.790 8.575 1.00 2.28 H new ATOM 0 HZ2 LYS B 63 -8.399 -25.134 7.244 1.00 2.28 H new ATOM 0 HZ3 LYS B 63 -6.961 -26.004 7.006 1.00 2.28 H new ATOM 2249 N GLU B 64 -7.003 -18.725 4.574 1.00 0.75 N ATOM 2250 CA GLU B 64 -8.219 -17.917 4.676 1.00 0.79 C ATOM 2251 C GLU B 64 -7.901 -16.488 5.108 1.00 0.78 C ATOM 2252 O GLU B 64 -8.782 -15.743 5.539 1.00 0.90 O ATOM 2253 CB GLU B 64 -9.225 -18.561 5.632 1.00 0.88 C ATOM 2254 CG GLU B 64 -9.757 -19.893 5.134 1.00 1.05 C ATOM 2255 CD GLU B 64 -10.578 -20.611 6.178 1.00 1.32 C ATOM 2256 OE1 GLU B 64 -11.577 -20.034 6.655 1.00 2.17 O ATOM 2257 OE2 GLU B 64 -10.231 -21.758 6.525 1.00 1.43 O ATOM 0 H GLU B 64 -6.754 -18.977 3.617 1.00 0.75 H new ATOM 0 HA GLU B 64 -8.670 -17.873 3.685 1.00 0.79 H new ATOM 0 HB2 GLU B 64 -8.752 -18.707 6.603 1.00 0.88 H new ATOM 0 HB3 GLU B 64 -10.060 -17.878 5.784 1.00 0.88 H new ATOM 0 HG2 GLU B 64 -10.367 -19.728 4.246 1.00 1.05 H new ATOM 0 HG3 GLU B 64 -8.922 -20.526 4.834 1.00 1.05 H new ATOM 2264 N SER B 65 -6.639 -16.110 4.977 1.00 0.69 N ATOM 2265 CA SER B 65 -6.212 -14.771 5.340 1.00 0.70 C ATOM 2266 C SER B 65 -6.734 -13.760 4.329 1.00 0.66 C ATOM 2267 O SER B 65 -6.749 -14.024 3.124 1.00 0.63 O ATOM 2268 CB SER B 65 -4.689 -14.696 5.431 1.00 0.68 C ATOM 2269 OG SER B 65 -4.209 -15.440 6.538 1.00 0.74 O ATOM 0 H SER B 65 -5.895 -16.711 4.623 1.00 0.69 H new ATOM 0 HA SER B 65 -6.625 -14.531 6.320 1.00 0.70 H new ATOM 0 HB2 SER B 65 -4.247 -15.079 4.511 1.00 0.68 H new ATOM 0 HB3 SER B 65 -4.378 -13.656 5.525 1.00 0.68 H new ATOM 0 HG SER B 65 -3.564 -16.109 6.227 1.00 0.74 H new ATOM 2275 N THR B 66 -7.180 -12.618 4.826 1.00 0.70 N ATOM 2276 CA THR B 66 -7.694 -11.571 3.974 1.00 0.69 C ATOM 2277 C THR B 66 -6.614 -10.530 3.710 1.00 0.65 C ATOM 2278 O THR B 66 -6.143 -9.856 4.628 1.00 0.68 O ATOM 2279 CB THR B 66 -8.924 -10.899 4.606 1.00 0.79 C ATOM 2280 OG1 THR B 66 -9.756 -11.896 5.218 1.00 0.98 O ATOM 2281 CG2 THR B 66 -9.722 -10.140 3.556 1.00 0.88 C ATOM 0 H THR B 66 -7.194 -12.397 5.822 1.00 0.70 H new ATOM 0 HA THR B 66 -7.996 -12.023 3.029 1.00 0.69 H new ATOM 0 HB THR B 66 -8.584 -10.191 5.361 1.00 0.79 H new ATOM 0 HG1 THR B 66 -10.539 -11.466 5.622 1.00 0.98 H new ATOM 0 HG21 THR B 66 -10.588 -9.672 4.025 1.00 0.88 H new ATOM 0 HG22 THR B 66 -9.093 -9.371 3.107 1.00 0.88 H new ATOM 0 HG23 THR B 66 -10.057 -10.832 2.783 1.00 0.88 H new ATOM 2289 N LEU B 67 -6.217 -10.422 2.456 1.00 0.61 N ATOM 2290 CA LEU B 67 -5.194 -9.475 2.058 1.00 0.59 C ATOM 2291 C LEU B 67 -5.844 -8.261 1.410 1.00 0.58 C ATOM 2292 O LEU B 67 -7.019 -8.297 1.046 1.00 0.61 O ATOM 2293 CB LEU B 67 -4.207 -10.125 1.078 1.00 0.59 C ATOM 2294 CG LEU B 67 -3.220 -11.120 1.699 1.00 0.75 C ATOM 2295 CD1 LEU B 67 -3.854 -12.495 1.857 1.00 1.15 C ATOM 2296 CD2 LEU B 67 -1.960 -11.213 0.854 1.00 1.31 C ATOM 0 H LEU B 67 -6.591 -10.983 1.691 1.00 0.61 H new ATOM 0 HA LEU B 67 -4.644 -9.162 2.945 1.00 0.59 H new ATOM 0 HB2 LEU B 67 -4.776 -10.640 0.304 1.00 0.59 H new ATOM 0 HB3 LEU B 67 -3.639 -9.336 0.585 1.00 0.59 H new ATOM 0 HG LEU B 67 -2.952 -10.755 2.691 1.00 0.75 H new ATOM 0 HD11 LEU B 67 -3.131 -13.180 2.300 1.00 1.15 H new ATOM 0 HD12 LEU B 67 -4.727 -12.421 2.505 1.00 1.15 H new ATOM 0 HD13 LEU B 67 -4.158 -12.870 0.880 1.00 1.15 H new ATOM 0 HD21 LEU B 67 -1.269 -11.923 1.308 1.00 1.31 H new ATOM 0 HD22 LEU B 67 -2.219 -11.550 -0.150 1.00 1.31 H new ATOM 0 HD23 LEU B 67 -1.487 -10.233 0.797 1.00 1.31 H new ATOM 2308 N HIS B 68 -5.086 -7.191 1.281 1.00 0.59 N ATOM 2309 CA HIS B 68 -5.578 -5.968 0.672 1.00 0.60 C ATOM 2310 C HIS B 68 -4.771 -5.667 -0.583 1.00 0.56 C ATOM 2311 O HIS B 68 -3.581 -5.373 -0.504 1.00 0.65 O ATOM 2312 CB HIS B 68 -5.473 -4.807 1.666 1.00 0.70 C ATOM 2313 CG HIS B 68 -6.355 -3.642 1.348 1.00 1.14 C ATOM 2314 ND1 HIS B 68 -6.157 -2.388 1.881 1.00 1.91 N ATOM 2315 CD2 HIS B 68 -7.450 -3.545 0.558 1.00 1.76 C ATOM 2316 CE1 HIS B 68 -7.090 -1.570 1.434 1.00 2.20 C ATOM 2317 NE2 HIS B 68 -7.888 -2.247 0.628 1.00 2.10 N ATOM 0 H HIS B 68 -4.116 -7.143 1.593 1.00 0.59 H new ATOM 0 HA HIS B 68 -6.626 -6.095 0.400 1.00 0.60 H new ATOM 0 HB2 HIS B 68 -5.720 -5.174 2.662 1.00 0.70 H new ATOM 0 HB3 HIS B 68 -4.438 -4.466 1.700 1.00 0.70 H new ATOM 0 HD2 HIS B 68 -7.896 -4.341 -0.020 1.00 1.76 H new ATOM 0 HE1 HIS B 68 -7.185 -0.524 1.685 1.00 2.20 H new ATOM 0 HE2 HIS B 68 -8.698 -1.867 0.138 1.00 2.10 H new ATOM 2326 N LEU B 69 -5.414 -5.764 -1.735 1.00 0.55 N ATOM 2327 CA LEU B 69 -4.745 -5.509 -3.001 1.00 0.51 C ATOM 2328 C LEU B 69 -4.936 -4.065 -3.433 1.00 0.52 C ATOM 2329 O LEU B 69 -6.026 -3.664 -3.848 1.00 0.70 O ATOM 2330 CB LEU B 69 -5.269 -6.456 -4.086 1.00 0.58 C ATOM 2331 CG LEU B 69 -4.657 -6.266 -5.478 1.00 0.56 C ATOM 2332 CD1 LEU B 69 -3.144 -6.402 -5.423 1.00 0.51 C ATOM 2333 CD2 LEU B 69 -5.248 -7.269 -6.458 1.00 0.71 C ATOM 0 H LEU B 69 -6.398 -6.017 -1.820 1.00 0.55 H new ATOM 0 HA LEU B 69 -3.679 -5.690 -2.861 1.00 0.51 H new ATOM 0 HB2 LEU B 69 -5.089 -7.482 -3.766 1.00 0.58 H new ATOM 0 HB3 LEU B 69 -6.349 -6.331 -4.163 1.00 0.58 H new ATOM 0 HG LEU B 69 -4.896 -5.261 -5.824 1.00 0.56 H new ATOM 0 HD11 LEU B 69 -2.730 -6.264 -6.422 1.00 0.51 H new ATOM 0 HD12 LEU B 69 -2.735 -5.646 -4.753 1.00 0.51 H new ATOM 0 HD13 LEU B 69 -2.881 -7.394 -5.055 1.00 0.51 H new ATOM 0 HD21 LEU B 69 -4.803 -7.121 -7.442 1.00 0.71 H new ATOM 0 HD22 LEU B 69 -5.038 -8.282 -6.113 1.00 0.71 H new ATOM 0 HD23 LEU B 69 -6.326 -7.124 -6.522 1.00 0.71 H new ATOM 2345 N VAL B 70 -3.878 -3.286 -3.314 1.00 0.40 N ATOM 2346 CA VAL B 70 -3.912 -1.893 -3.707 1.00 0.44 C ATOM 2347 C VAL B 70 -3.105 -1.713 -4.985 1.00 0.43 C ATOM 2348 O VAL B 70 -1.929 -2.076 -5.045 1.00 0.49 O ATOM 2349 CB VAL B 70 -3.364 -0.972 -2.597 1.00 0.47 C ATOM 2350 CG1 VAL B 70 -3.322 0.475 -3.064 1.00 1.14 C ATOM 2351 CG2 VAL B 70 -4.211 -1.098 -1.339 1.00 0.77 C ATOM 0 H VAL B 70 -2.979 -3.598 -2.946 1.00 0.40 H new ATOM 0 HA VAL B 70 -4.951 -1.611 -3.880 1.00 0.44 H new ATOM 0 HB VAL B 70 -2.346 -1.285 -2.367 1.00 0.47 H new ATOM 0 HG11 VAL B 70 -2.932 1.104 -2.264 1.00 1.14 H new ATOM 0 HG12 VAL B 70 -2.675 0.557 -3.938 1.00 1.14 H new ATOM 0 HG13 VAL B 70 -4.328 0.802 -3.325 1.00 1.14 H new ATOM 0 HG21 VAL B 70 -3.812 -0.442 -0.565 1.00 0.77 H new ATOM 0 HG22 VAL B 70 -5.239 -0.812 -1.562 1.00 0.77 H new ATOM 0 HG23 VAL B 70 -4.189 -2.130 -0.988 1.00 0.77 H new ATOM 2361 N LEU B 71 -3.747 -1.180 -6.009 1.00 0.44 N ATOM 2362 CA LEU B 71 -3.092 -0.977 -7.289 1.00 0.45 C ATOM 2363 C LEU B 71 -2.286 0.312 -7.293 1.00 0.52 C ATOM 2364 O LEU B 71 -2.578 1.247 -6.539 1.00 0.65 O ATOM 2365 CB LEU B 71 -4.123 -0.947 -8.421 1.00 0.52 C ATOM 2366 CG LEU B 71 -4.998 -2.195 -8.547 1.00 0.60 C ATOM 2367 CD1 LEU B 71 -5.794 -2.153 -9.842 1.00 0.99 C ATOM 2368 CD2 LEU B 71 -4.148 -3.454 -8.479 1.00 1.04 C ATOM 0 H LEU B 71 -4.721 -0.880 -5.979 1.00 0.44 H new ATOM 0 HA LEU B 71 -2.410 -1.812 -7.449 1.00 0.45 H new ATOM 0 HB2 LEU B 71 -4.771 -0.083 -8.276 1.00 0.52 H new ATOM 0 HB3 LEU B 71 -3.597 -0.796 -9.364 1.00 0.52 H new ATOM 0 HG LEU B 71 -5.698 -2.213 -7.712 1.00 0.60 H new ATOM 0 HD11 LEU B 71 -6.412 -3.047 -9.918 1.00 0.99 H new ATOM 0 HD12 LEU B 71 -6.432 -1.269 -9.848 1.00 0.99 H new ATOM 0 HD13 LEU B 71 -5.109 -2.112 -10.689 1.00 0.99 H new ATOM 0 HD21 LEU B 71 -4.789 -4.331 -8.570 1.00 1.04 H new ATOM 0 HD22 LEU B 71 -3.423 -3.448 -9.293 1.00 1.04 H new ATOM 0 HD23 LEU B 71 -3.622 -3.487 -7.525 1.00 1.04 H new ATOM 2380 N ARG B 72 -1.279 0.362 -8.153 1.00 0.70 N ATOM 2381 CA ARG B 72 -0.421 1.533 -8.276 1.00 0.85 C ATOM 2382 C ARG B 72 -1.090 2.582 -9.163 1.00 1.12 C ATOM 2383 O ARG B 72 -0.508 3.059 -10.139 1.00 1.44 O ATOM 2384 CB ARG B 72 0.933 1.130 -8.864 1.00 1.05 C ATOM 2385 CG ARG B 72 2.066 2.072 -8.495 1.00 1.32 C ATOM 2386 CD ARG B 72 3.329 1.759 -9.280 1.00 1.27 C ATOM 2387 NE ARG B 72 4.513 2.341 -8.654 1.00 1.61 N ATOM 2388 CZ ARG B 72 5.742 1.839 -8.767 1.00 2.00 C ATOM 2389 NH1 ARG B 72 5.960 0.778 -9.536 1.00 2.37 N ATOM 2390 NH2 ARG B 72 6.752 2.398 -8.114 1.00 2.67 N ATOM 0 H ARG B 72 -1.034 -0.403 -8.782 1.00 0.70 H new ATOM 0 HA ARG B 72 -0.261 1.961 -7.286 1.00 0.85 H new ATOM 0 HB2 ARG B 72 1.182 0.125 -8.523 1.00 1.05 H new ATOM 0 HB3 ARG B 72 0.849 1.086 -9.950 1.00 1.05 H new ATOM 0 HG2 ARG B 72 1.762 3.101 -8.688 1.00 1.32 H new ATOM 0 HG3 ARG B 72 2.272 1.995 -7.427 1.00 1.32 H new ATOM 0 HD2 ARG B 72 3.452 0.679 -9.356 1.00 1.27 H new ATOM 0 HD3 ARG B 72 3.230 2.141 -10.296 1.00 1.27 H new ATOM 0 HE ARG B 72 4.391 3.185 -8.095 1.00 1.61 H new ATOM 0 HH11 ARG B 72 5.186 0.346 -10.041 1.00 2.37 H new ATOM 0 HH12 ARG B 72 6.901 0.395 -9.621 1.00 2.37 H new ATOM 0 HH21 ARG B 72 6.589 3.214 -7.524 1.00 2.67 H new ATOM 0 HH22 ARG B 72 7.692 2.012 -8.202 1.00 2.67 H new