USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 796 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 THR OG1 : rot 180:sc= -0.107 USER MOD Set 1.2: A 72 TYR OH : rot 150:sc= 0 USER MOD Set 2.1: A 34 THR OG1 : rot -58:sc= 0.989 USER MOD Set 2.2: A 35 SER OG : rot -83:sc= -0.193! USER MOD Set 3.1: A 21 LYS NZ :NH3+ 159:sc= -0.0122 (180deg=-0.171) USER MOD Set 3.2: A 59 ASN : amide:sc= -3.64! C(o=-3.6!,f=-11!) USER MOD Set 4.1: A 19 THR OG1 : rot 180:sc= 0.446 USER MOD Set 4.2: A 62 THR OG1 : rot -113:sc= 0.851 USER MOD Set 5.1: A 14 THR OG1 : rot 82:sc= 1.08 USER MOD Set 5.2: A 17 THR OG1 : rot 180:sc= -0.03 USER MOD Single : A 0 SER N :NH3+ -113:sc= 0.0426 (180deg=0) USER MOD Single : A 0 SER OG : rot 50:sc= -1.57 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= -0.0928 (180deg=-0.0928) USER MOD Single : A 12 ASN : amide:sc= -0.913 K(o=-0.91,f=-0.11) USER MOD Single : A 16 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-0.033) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 14:sc= 0.516 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= -0.0578 (180deg=-0.0578) USER MOD Single : A 45 ASN : amide:sc= -0.345 K(o=-0.34,f=0.37) USER MOD Single : A 50 LYS NZ :NH3+ 160:sc= -0.0542 (180deg=-0.328) USER MOD Single : A 52 ASN : amide:sc= -3.46 K(o=-3.5,f=-14!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.924 K(o=-0.92,f=-0.084) USER MOD Single : A 64 SER OG : rot 180:sc= -2.15! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -4.33! C(o=-4.3!,f=-8.2!) USER MOD Single : A 86 SER OG : rot 51:sc= -0.698! USER MOD Single : A 89 SER OG : rot 79:sc= 0.744 USER MOD Single : A 92 SER OG : rot -106:sc= -0.476! USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot -98:sc= 0.226 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -24.755 -5.986 -3.566 1.00 2.05 N ATOM 2 CA SER A 0 -24.091 -4.736 -4.019 1.00 1.55 C ATOM 3 C SER A 0 -22.642 -4.997 -4.420 1.00 1.39 C ATOM 4 O SER A 0 -22.025 -5.957 -3.956 1.00 1.50 O ATOM 5 CB SER A 0 -24.146 -3.717 -2.881 1.00 2.08 C ATOM 6 OG SER A 0 -24.017 -2.396 -3.373 1.00 2.74 O ATOM 0 H1 SER A 0 -25.498 -6.250 -4.244 1.00 2.05 H new ATOM 0 H2 SER A 0 -24.053 -6.751 -3.507 1.00 2.05 H new ATOM 0 H3 SER A 0 -25.180 -5.834 -2.629 1.00 2.05 H new ATOM 0 HA SER A 0 -24.611 -4.351 -4.896 1.00 1.55 H new ATOM 0 HB2 SER A 0 -25.089 -3.818 -2.344 1.00 2.08 H new ATOM 0 HB3 SER A 0 -23.349 -3.922 -2.167 1.00 2.08 H new ATOM 0 HG SER A 0 -24.645 -2.260 -4.113 1.00 2.74 H new ATOM 12 N PRO A 1 -22.076 -4.141 -5.287 1.00 1.23 N ATOM 13 CA PRO A 1 -20.702 -4.275 -5.747 1.00 1.19 C ATOM 14 C PRO A 1 -19.719 -3.535 -4.847 1.00 1.24 C ATOM 15 O PRO A 1 -20.100 -2.994 -3.808 1.00 2.06 O ATOM 16 CB PRO A 1 -20.753 -3.631 -7.128 1.00 1.18 C ATOM 17 CG PRO A 1 -21.815 -2.582 -7.031 1.00 1.26 C ATOM 18 CD PRO A 1 -22.730 -2.969 -5.889 1.00 1.24 C ATOM 0 HA PRO A 1 -20.358 -5.309 -5.748 1.00 1.19 H new ATOM 0 HB2 PRO A 1 -19.791 -3.194 -7.395 1.00 1.18 H new ATOM 0 HB3 PRO A 1 -20.994 -4.365 -7.897 1.00 1.18 H new ATOM 0 HG2 PRO A 1 -21.372 -1.602 -6.853 1.00 1.26 H new ATOM 0 HG3 PRO A 1 -22.374 -2.514 -7.964 1.00 1.26 H new ATOM 0 HD2 PRO A 1 -22.834 -2.157 -5.169 1.00 1.24 H new ATOM 0 HD3 PRO A 1 -23.732 -3.210 -6.245 1.00 1.24 H new ATOM 26 N ILE A 2 -18.456 -3.511 -5.254 1.00 0.68 N ATOM 27 CA ILE A 2 -17.419 -2.836 -4.486 1.00 0.61 C ATOM 28 C ILE A 2 -16.226 -2.482 -5.368 1.00 0.57 C ATOM 29 O ILE A 2 -15.828 -3.263 -6.232 1.00 0.63 O ATOM 30 CB ILE A 2 -16.936 -3.707 -3.309 1.00 0.62 C ATOM 31 CG1 ILE A 2 -15.990 -2.900 -2.408 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.259 -4.967 -3.837 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.141 -3.740 -1.469 1.00 0.56 C ATOM 0 H ILE A 2 -18.126 -3.952 -6.112 1.00 0.68 H new ATOM 0 HA ILE A 2 -17.860 -1.920 -4.092 1.00 0.61 H new ATOM 0 HB ILE A 2 -17.794 -4.010 -2.708 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.330 -2.304 -3.038 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.581 -2.202 -1.816 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -15.921 -5.577 -2.999 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -16.968 -5.537 -4.437 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.403 -4.690 -4.453 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.504 -3.087 -0.872 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -15.790 -4.316 -0.809 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -14.519 -4.420 -2.051 1.00 0.56 H new ATOM 45 N ASP A 3 -15.659 -1.302 -5.144 1.00 0.55 N ATOM 46 CA ASP A 3 -14.510 -0.848 -5.920 1.00 0.54 C ATOM 47 C ASP A 3 -13.331 -0.536 -4.997 1.00 0.47 C ATOM 48 O ASP A 3 -13.501 0.105 -3.961 1.00 0.49 O ATOM 49 CB ASP A 3 -14.882 0.390 -6.738 1.00 0.61 C ATOM 50 CG ASP A 3 -15.586 0.039 -8.036 1.00 1.15 C ATOM 51 OD1 ASP A 3 -15.550 -1.146 -8.429 1.00 1.64 O ATOM 52 OD2 ASP A 3 -16.172 0.950 -8.658 1.00 2.00 O ATOM 0 H ASP A 3 -15.975 -0.643 -4.433 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.215 -1.645 -6.602 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -15.527 1.035 -6.142 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -13.979 0.959 -6.960 1.00 0.61 H new ATOM 57 N PRO A 4 -12.117 -0.991 -5.357 1.00 0.44 N ATOM 58 CA PRO A 4 -10.920 -0.761 -4.552 1.00 0.41 C ATOM 59 C PRO A 4 -10.250 0.580 -4.847 1.00 0.38 C ATOM 60 O PRO A 4 -10.478 1.186 -5.894 1.00 0.43 O ATOM 61 CB PRO A 4 -10.014 -1.911 -4.973 1.00 0.45 C ATOM 62 CG PRO A 4 -10.359 -2.150 -6.407 1.00 0.50 C ATOM 63 CD PRO A 4 -11.814 -1.773 -6.570 1.00 0.50 C ATOM 0 HA PRO A 4 -11.143 -0.725 -3.486 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -8.962 -1.652 -4.855 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.193 -2.800 -4.368 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -9.728 -1.550 -7.063 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.197 -3.194 -6.676 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -11.976 -1.186 -7.474 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.449 -2.656 -6.645 1.00 0.50 H new ATOM 71 N PRO A 5 -9.407 1.060 -3.915 1.00 0.37 N ATOM 72 CA PRO A 5 -8.693 2.336 -4.061 1.00 0.39 C ATOM 73 C PRO A 5 -7.926 2.445 -5.370 1.00 0.38 C ATOM 74 O PRO A 5 -7.739 1.460 -6.085 1.00 0.47 O ATOM 75 CB PRO A 5 -7.714 2.331 -2.889 1.00 0.46 C ATOM 76 CG PRO A 5 -8.365 1.473 -1.871 1.00 0.71 C ATOM 77 CD PRO A 5 -9.083 0.399 -2.637 1.00 0.43 C ATOM 0 HA PRO A 5 -9.386 3.177 -4.068 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -6.743 1.932 -3.183 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -7.543 3.338 -2.509 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -7.628 1.043 -1.193 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -9.061 2.049 -1.261 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.455 -0.479 -2.785 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -9.981 0.064 -2.117 1.00 0.43 H new ATOM 85 N GLY A 6 -7.480 3.658 -5.668 1.00 0.37 N ATOM 86 CA GLY A 6 -6.725 3.896 -6.886 1.00 0.39 C ATOM 87 C GLY A 6 -5.315 3.341 -6.805 1.00 0.42 C ATOM 88 O GLY A 6 -4.926 2.765 -5.789 1.00 0.66 O ATOM 0 H GLY A 6 -7.627 4.484 -5.088 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.245 3.440 -7.729 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.681 4.968 -7.081 1.00 0.39 H new ATOM 92 N LYS A 7 -4.545 3.514 -7.876 1.00 0.41 N ATOM 93 CA LYS A 7 -3.169 3.026 -7.920 1.00 0.44 C ATOM 94 C LYS A 7 -2.293 3.790 -6.927 1.00 0.37 C ATOM 95 O LYS A 7 -2.221 5.018 -6.983 1.00 0.42 O ATOM 96 CB LYS A 7 -2.606 3.176 -9.333 1.00 0.54 C ATOM 97 CG LYS A 7 -1.195 2.635 -9.489 1.00 0.64 C ATOM 98 CD LYS A 7 -0.322 3.579 -10.298 1.00 1.01 C ATOM 99 CE LYS A 7 1.012 3.823 -9.613 1.00 0.95 C ATOM 100 NZ LYS A 7 1.837 4.824 -10.343 1.00 1.52 N ATOM 0 H LYS A 7 -4.850 3.989 -8.726 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.168 1.972 -7.643 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.263 2.660 -10.033 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.614 4.231 -9.607 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -0.752 2.482 -8.505 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -1.230 1.661 -9.978 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.152 3.160 -11.290 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.840 4.528 -10.437 1.00 1.01 H new ATOM 0 HE2 LYS A 7 0.839 4.169 -8.594 1.00 0.95 H new ATOM 0 HE3 LYS A 7 1.560 2.884 -9.541 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 2.739 4.962 -9.843 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 2.024 4.483 -11.307 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 1.325 5.728 -10.389 1.00 1.52 H new ATOM 114 N PRO A 8 -1.609 3.087 -6.000 1.00 0.34 N ATOM 115 CA PRO A 8 -0.742 3.733 -5.005 1.00 0.32 C ATOM 116 C PRO A 8 0.526 4.308 -5.632 1.00 0.33 C ATOM 117 O PRO A 8 1.168 3.662 -6.460 1.00 0.44 O ATOM 118 CB PRO A 8 -0.395 2.591 -4.031 1.00 0.39 C ATOM 119 CG PRO A 8 -1.372 1.508 -4.349 1.00 0.44 C ATOM 120 CD PRO A 8 -1.609 1.625 -5.826 1.00 0.41 C ATOM 0 HA PRO A 8 -1.232 4.580 -4.525 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.631 2.251 -4.170 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.486 2.914 -2.994 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -0.974 0.527 -4.089 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.298 1.634 -3.789 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -0.825 1.141 -6.408 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.554 1.174 -6.128 1.00 0.41 H new ATOM 128 N VAL A 9 0.878 5.529 -5.236 1.00 0.34 N ATOM 129 CA VAL A 9 2.067 6.195 -5.762 1.00 0.38 C ATOM 130 C VAL A 9 2.933 6.752 -4.634 1.00 0.34 C ATOM 131 O VAL A 9 2.505 7.646 -3.905 1.00 0.35 O ATOM 132 CB VAL A 9 1.685 7.355 -6.699 1.00 0.43 C ATOM 133 CG1 VAL A 9 2.903 7.845 -7.467 1.00 0.53 C ATOM 134 CG2 VAL A 9 0.574 6.936 -7.647 1.00 1.09 C ATOM 0 H VAL A 9 0.356 6.078 -4.552 1.00 0.34 H new ATOM 0 HA VAL A 9 2.628 5.444 -6.318 1.00 0.38 H new ATOM 0 HB VAL A 9 1.314 8.181 -6.092 1.00 0.43 H new ATOM 0 HG11 VAL A 9 2.613 8.665 -8.124 1.00 0.53 H new ATOM 0 HG12 VAL A 9 3.660 8.193 -6.765 1.00 0.53 H new ATOM 0 HG13 VAL A 9 3.310 7.028 -8.064 1.00 0.53 H new ATOM 0 HG21 VAL A 9 0.319 7.770 -8.300 1.00 1.09 H new ATOM 0 HG22 VAL A 9 0.909 6.092 -8.250 1.00 1.09 H new ATOM 0 HG23 VAL A 9 -0.305 6.644 -7.072 1.00 1.09 H new ATOM 144 N PRO A 10 4.164 6.235 -4.464 1.00 0.34 N ATOM 145 CA PRO A 10 5.062 6.696 -3.412 1.00 0.32 C ATOM 146 C PRO A 10 5.606 8.099 -3.647 1.00 0.37 C ATOM 147 O PRO A 10 6.376 8.331 -4.578 1.00 0.64 O ATOM 148 CB PRO A 10 6.215 5.690 -3.415 1.00 0.38 C ATOM 149 CG PRO A 10 5.814 4.595 -4.345 1.00 0.39 C ATOM 150 CD PRO A 10 4.769 5.166 -5.264 1.00 0.42 C ATOM 0 HA PRO A 10 4.528 6.753 -2.464 1.00 0.32 H new ATOM 0 HB2 PRO A 10 7.141 6.161 -3.745 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.395 5.302 -2.412 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.673 4.236 -4.912 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.418 3.743 -3.792 1.00 0.39 H new ATOM 0 HD2 PRO A 10 5.209 5.552 -6.183 1.00 0.42 H new ATOM 0 HD3 PRO A 10 4.034 4.415 -5.553 1.00 0.42 H new ATOM 158 N LEU A 11 5.223 9.027 -2.775 1.00 0.34 N ATOM 159 CA LEU A 11 5.700 10.400 -2.867 1.00 0.43 C ATOM 160 C LEU A 11 7.126 10.452 -2.339 1.00 0.43 C ATOM 161 O LEU A 11 7.965 11.218 -2.817 1.00 0.57 O ATOM 162 CB LEU A 11 4.805 11.348 -2.059 1.00 0.56 C ATOM 163 CG LEU A 11 3.295 11.209 -2.297 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.995 10.928 -3.762 1.00 1.64 C ATOM 165 CD2 LEU A 11 2.715 10.116 -1.410 1.00 1.12 C ATOM 0 H LEU A 11 4.585 8.852 -1.999 1.00 0.34 H new ATOM 0 HA LEU A 11 5.671 10.723 -3.908 1.00 0.43 H new ATOM 0 HB2 LEU A 11 5.003 11.188 -0.999 1.00 0.56 H new ATOM 0 HB3 LEU A 11 5.096 12.373 -2.286 1.00 0.56 H new ATOM 0 HG LEU A 11 2.822 12.155 -2.035 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.918 10.834 -3.901 1.00 1.64 H new ATOM 0 HD12 LEU A 11 3.370 11.748 -4.374 1.00 1.64 H new ATOM 0 HD13 LEU A 11 3.482 10.000 -4.062 1.00 1.64 H new ATOM 0 HD21 LEU A 11 1.644 10.031 -1.591 1.00 1.12 H new ATOM 0 HD22 LEU A 11 3.199 9.166 -1.639 1.00 1.12 H new ATOM 0 HD23 LEU A 11 2.887 10.367 -0.363 1.00 1.12 H new ATOM 177 N ASN A 12 7.384 9.604 -1.348 1.00 0.34 N ATOM 178 CA ASN A 12 8.692 9.492 -0.726 1.00 0.36 C ATOM 179 C ASN A 12 8.984 8.026 -0.445 1.00 0.37 C ATOM 180 O ASN A 12 8.061 7.234 -0.243 1.00 0.58 O ATOM 181 CB ASN A 12 8.745 10.305 0.568 1.00 0.42 C ATOM 182 CG ASN A 12 10.166 10.551 1.034 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.710 11.642 0.858 1.00 0.72 O ATOM 184 ND2 ASN A 12 10.776 9.534 1.629 1.00 0.71 N ATOM 0 H ASN A 12 6.685 8.973 -0.954 1.00 0.34 H new ATOM 0 HA ASN A 12 9.448 9.890 -1.402 1.00 0.36 H new ATOM 0 HB2 ASN A 12 8.244 11.261 0.415 1.00 0.42 H new ATOM 0 HB3 ASN A 12 8.195 9.779 1.348 1.00 0.42 H new ATOM 0 HD21 ASN A 12 11.734 9.638 1.962 1.00 0.71 H new ATOM 0 HD22 ASN A 12 10.286 8.648 1.754 1.00 0.71 H new ATOM 191 N ILE A 13 10.255 7.653 -0.444 1.00 0.38 N ATOM 192 CA ILE A 13 10.622 6.266 -0.205 1.00 0.43 C ATOM 193 C ILE A 13 11.871 6.134 0.657 1.00 0.53 C ATOM 194 O ILE A 13 12.994 6.214 0.160 1.00 0.75 O ATOM 195 CB ILE A 13 10.848 5.540 -1.534 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.776 6.366 -2.424 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.512 5.292 -2.223 1.00 0.53 C ATOM 198 CD1 ILE A 13 11.865 5.861 -3.842 1.00 0.96 C ATOM 0 H ILE A 13 11.041 8.283 -0.604 1.00 0.38 H new ATOM 0 HA ILE A 13 9.793 5.810 0.336 1.00 0.43 H new ATOM 0 HB ILE A 13 11.320 4.576 -1.345 1.00 0.48 H new ATOM 0 HG12 ILE A 13 11.428 7.399 -2.437 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.774 6.372 -1.986 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.680 4.775 -3.168 1.00 0.53 H new ATOM 0 HG22 ILE A 13 8.880 4.678 -1.581 1.00 0.53 H new ATOM 0 HG23 ILE A 13 9.018 6.245 -2.414 1.00 0.53 H new ATOM 0 HD11 ILE A 13 12.541 6.497 -4.413 1.00 0.96 H new ATOM 0 HD12 ILE A 13 12.243 4.839 -3.841 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.875 5.882 -4.298 1.00 0.96 H new ATOM 210 N THR A 14 11.668 5.916 1.952 1.00 0.59 N ATOM 211 CA THR A 14 12.778 5.755 2.881 1.00 0.71 C ATOM 212 C THR A 14 13.240 4.302 2.895 1.00 0.79 C ATOM 213 O THR A 14 12.428 3.380 2.837 1.00 1.46 O ATOM 214 CB THR A 14 12.375 6.193 4.290 1.00 0.75 C ATOM 215 OG1 THR A 14 11.269 7.077 4.244 1.00 0.69 O ATOM 216 CG2 THR A 14 13.490 6.893 5.036 1.00 0.94 C ATOM 0 H THR A 14 10.745 5.847 2.381 1.00 0.59 H new ATOM 0 HA THR A 14 13.601 6.388 2.548 1.00 0.71 H new ATOM 0 HB THR A 14 12.123 5.274 4.819 1.00 0.75 H new ATOM 0 HG1 THR A 14 10.440 6.560 4.163 1.00 0.69 H new ATOM 0 HG21 THR A 14 13.141 7.178 6.028 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.343 6.220 5.131 1.00 0.94 H new ATOM 0 HG23 THR A 14 13.791 7.785 4.487 1.00 0.94 H new ATOM 224 N ARG A 15 14.548 4.107 2.958 1.00 0.66 N ATOM 225 CA ARG A 15 15.128 2.770 2.963 1.00 0.67 C ATOM 226 C ARG A 15 14.438 1.842 3.965 1.00 0.71 C ATOM 227 O ARG A 15 14.476 0.621 3.809 1.00 1.19 O ATOM 228 CB ARG A 15 16.622 2.849 3.268 1.00 0.80 C ATOM 229 CG ARG A 15 16.972 3.877 4.330 1.00 0.96 C ATOM 230 CD ARG A 15 17.826 4.996 3.758 1.00 1.13 C ATOM 231 NE ARG A 15 19.126 4.515 3.302 1.00 1.43 N ATOM 232 CZ ARG A 15 20.086 4.102 4.123 1.00 1.67 C ATOM 233 NH1 ARG A 15 19.887 4.115 5.434 1.00 1.90 N ATOM 234 NH2 ARG A 15 21.242 3.676 3.633 1.00 2.42 N ATOM 0 H ARG A 15 15.233 4.861 3.007 1.00 0.66 H new ATOM 0 HA ARG A 15 14.977 2.347 1.970 1.00 0.67 H new ATOM 0 HB2 ARG A 15 16.970 1.869 3.594 1.00 0.80 H new ATOM 0 HB3 ARG A 15 17.159 3.089 2.351 1.00 0.80 H new ATOM 0 HG2 ARG A 15 16.057 4.294 4.750 1.00 0.96 H new ATOM 0 HG3 ARG A 15 17.506 3.391 5.147 1.00 0.96 H new ATOM 0 HD2 ARG A 15 17.300 5.463 2.925 1.00 1.13 H new ATOM 0 HD3 ARG A 15 17.970 5.766 4.516 1.00 1.13 H new ATOM 0 HE ARG A 15 19.308 4.495 2.299 1.00 1.43 H new ATOM 0 HH11 ARG A 15 18.998 4.442 5.812 1.00 1.90 H new ATOM 0 HH12 ARG A 15 20.623 3.798 6.065 1.00 1.90 H new ATOM 0 HH21 ARG A 15 21.395 3.665 2.625 1.00 2.42 H new ATOM 0 HH22 ARG A 15 21.978 3.359 4.264 1.00 2.42 H new ATOM 248 N HIS A 16 13.819 2.412 4.995 1.00 0.50 N ATOM 249 CA HIS A 16 13.141 1.605 6.009 1.00 0.54 C ATOM 250 C HIS A 16 11.650 1.932 6.113 1.00 0.57 C ATOM 251 O HIS A 16 10.931 1.317 6.900 1.00 0.97 O ATOM 252 CB HIS A 16 13.802 1.802 7.373 1.00 0.67 C ATOM 253 CG HIS A 16 15.190 1.242 7.458 1.00 0.68 C ATOM 254 ND1 HIS A 16 15.657 0.507 8.524 1.00 0.97 N ATOM 255 CD2 HIS A 16 16.222 1.324 6.578 1.00 0.78 C ATOM 256 CE1 HIS A 16 16.928 0.171 8.266 1.00 1.02 C ATOM 257 NE2 HIS A 16 17.319 0.642 7.098 1.00 0.86 N ATOM 0 H HIS A 16 13.772 3.419 5.150 1.00 0.50 H new ATOM 0 HA HIS A 16 13.232 0.564 5.698 1.00 0.54 H new ATOM 0 HB2 HIS A 16 13.835 2.868 7.600 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.183 1.333 8.138 1.00 0.67 H new ATOM 0 HD2 HIS A 16 16.196 1.836 5.627 1.00 0.78 H new ATOM 0 HE1 HIS A 16 17.552 -0.410 8.929 1.00 1.02 H new ATOM 0 HE2 HIS A 16 18.236 0.530 6.665 1.00 0.86 H new ATOM 265 N THR A 17 11.185 2.896 5.326 1.00 0.43 N ATOM 266 CA THR A 17 9.778 3.283 5.352 1.00 0.42 C ATOM 267 C THR A 17 9.402 4.028 4.079 1.00 0.38 C ATOM 268 O THR A 17 9.967 5.077 3.778 1.00 0.56 O ATOM 269 CB THR A 17 9.494 4.155 6.576 1.00 0.56 C ATOM 270 OG1 THR A 17 10.477 5.168 6.711 1.00 0.65 O ATOM 271 CG2 THR A 17 9.463 3.372 7.870 1.00 0.68 C ATOM 0 H THR A 17 11.758 3.422 4.665 1.00 0.43 H new ATOM 0 HA THR A 17 9.173 2.378 5.413 1.00 0.42 H new ATOM 0 HB THR A 17 8.507 4.584 6.403 1.00 0.56 H new ATOM 0 HG1 THR A 17 10.276 5.716 7.499 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.257 4.048 8.700 1.00 0.68 H new ATOM 0 HG22 THR A 17 8.682 2.613 7.818 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.428 2.889 8.026 1.00 0.68 H new ATOM 279 N VAL A 18 8.450 3.481 3.330 1.00 0.27 N ATOM 280 CA VAL A 18 8.016 4.105 2.085 1.00 0.33 C ATOM 281 C VAL A 18 6.681 4.828 2.252 1.00 0.32 C ATOM 282 O VAL A 18 5.760 4.322 2.892 1.00 0.51 O ATOM 283 CB VAL A 18 7.901 3.071 0.951 1.00 0.44 C ATOM 284 CG1 VAL A 18 7.529 3.758 -0.350 1.00 0.80 C ATOM 285 CG2 VAL A 18 9.202 2.289 0.799 1.00 0.46 C ATOM 0 H VAL A 18 7.967 2.613 3.561 1.00 0.27 H new ATOM 0 HA VAL A 18 8.778 4.838 1.821 1.00 0.33 H new ATOM 0 HB VAL A 18 7.112 2.363 1.205 1.00 0.44 H new ATOM 0 HG11 VAL A 18 7.451 3.015 -1.144 1.00 0.80 H new ATOM 0 HG12 VAL A 18 6.572 4.266 -0.233 1.00 0.80 H new ATOM 0 HG13 VAL A 18 8.297 4.487 -0.609 1.00 0.80 H new ATOM 0 HG21 VAL A 18 9.098 1.564 -0.008 1.00 0.46 H new ATOM 0 HG22 VAL A 18 10.015 2.977 0.567 1.00 0.46 H new ATOM 0 HG23 VAL A 18 9.424 1.767 1.730 1.00 0.46 H new ATOM 295 N THR A 19 6.592 6.024 1.671 1.00 0.27 N ATOM 296 CA THR A 19 5.383 6.842 1.753 1.00 0.24 C ATOM 297 C THR A 19 4.670 6.920 0.404 1.00 0.22 C ATOM 298 O THR A 19 5.256 7.373 -0.577 1.00 0.34 O ATOM 299 CB THR A 19 5.756 8.255 2.212 1.00 0.28 C ATOM 300 OG1 THR A 19 6.180 8.249 3.563 1.00 0.35 O ATOM 301 CG2 THR A 19 4.622 9.252 2.085 1.00 0.32 C ATOM 0 H THR A 19 7.348 6.450 1.135 1.00 0.27 H new ATOM 0 HA THR A 19 4.706 6.378 2.470 1.00 0.24 H new ATOM 0 HB THR A 19 6.562 8.568 1.548 1.00 0.28 H new ATOM 0 HG1 THR A 19 6.414 9.160 3.836 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.958 10.231 2.428 1.00 0.32 H new ATOM 0 HG22 THR A 19 4.312 9.320 1.042 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.779 8.924 2.693 1.00 0.32 H new ATOM 309 N LEU A 20 3.403 6.493 0.363 1.00 0.28 N ATOM 310 CA LEU A 20 2.631 6.539 -0.873 1.00 0.26 C ATOM 311 C LEU A 20 1.209 7.039 -0.644 1.00 0.28 C ATOM 312 O LEU A 20 0.698 7.048 0.480 1.00 0.40 O ATOM 313 CB LEU A 20 2.596 5.172 -1.567 1.00 0.33 C ATOM 314 CG LEU A 20 2.784 3.951 -0.664 1.00 0.39 C ATOM 315 CD1 LEU A 20 4.202 3.908 -0.132 1.00 0.50 C ATOM 316 CD2 LEU A 20 1.780 3.949 0.477 1.00 0.52 C ATOM 0 H LEU A 20 2.899 6.116 1.166 1.00 0.28 H new ATOM 0 HA LEU A 20 3.140 7.250 -1.524 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.640 5.073 -2.082 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.373 5.156 -2.331 1.00 0.33 H new ATOM 0 HG LEU A 20 2.606 3.056 -1.260 1.00 0.39 H new ATOM 0 HD11 LEU A 20 4.324 3.035 0.509 1.00 0.50 H new ATOM 0 HD12 LEU A 20 4.902 3.846 -0.966 1.00 0.50 H new ATOM 0 HD13 LEU A 20 4.402 4.812 0.444 1.00 0.50 H new ATOM 0 HD21 LEU A 20 1.939 3.069 1.100 1.00 0.52 H new ATOM 0 HD22 LEU A 20 1.911 4.849 1.078 1.00 0.52 H new ATOM 0 HD23 LEU A 20 0.768 3.928 0.072 1.00 0.52 H new ATOM 328 N LYS A 21 0.588 7.461 -1.741 1.00 0.25 N ATOM 329 CA LYS A 21 -0.773 7.981 -1.722 1.00 0.31 C ATOM 330 C LYS A 21 -1.559 7.455 -2.925 1.00 0.31 C ATOM 331 O LYS A 21 -0.980 7.163 -3.971 1.00 0.51 O ATOM 332 CB LYS A 21 -0.739 9.515 -1.731 1.00 0.40 C ATOM 333 CG LYS A 21 -2.075 10.166 -2.046 1.00 0.81 C ATOM 334 CD LYS A 21 -3.125 9.801 -1.013 1.00 0.95 C ATOM 335 CE LYS A 21 -3.252 10.880 0.046 1.00 1.26 C ATOM 336 NZ LYS A 21 -3.901 12.107 -0.491 1.00 1.84 N ATOM 0 H LYS A 21 1.015 7.452 -2.667 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.272 7.644 -0.814 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -0.398 9.865 -0.757 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -0.004 9.847 -2.465 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -1.955 11.249 -2.079 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -2.410 9.852 -3.035 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -4.087 9.655 -1.504 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -2.861 8.854 -0.541 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -3.833 10.499 0.885 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -2.263 11.130 0.431 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -4.290 12.666 0.295 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -3.198 12.675 -1.005 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -4.669 11.838 -1.139 1.00 1.84 H new ATOM 350 N TRP A 22 -2.876 7.333 -2.770 1.00 0.25 N ATOM 351 CA TRP A 22 -3.720 6.834 -3.850 1.00 0.24 C ATOM 352 C TRP A 22 -5.003 7.645 -3.996 1.00 0.24 C ATOM 353 O TRP A 22 -5.228 8.617 -3.279 1.00 0.40 O ATOM 354 CB TRP A 22 -4.067 5.368 -3.609 1.00 0.27 C ATOM 355 CG TRP A 22 -4.525 5.071 -2.213 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.814 4.976 -1.775 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.695 4.822 -1.072 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.836 4.685 -0.432 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.548 4.584 0.025 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.315 4.776 -0.871 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.061 4.306 1.303 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -1.834 4.499 0.395 1.00 0.31 C ATOM 363 CH2 TRP A 22 -2.706 4.268 1.467 1.00 0.32 C ATOM 0 H TRP A 22 -3.377 7.571 -1.914 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.154 6.934 -4.776 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.849 5.071 -4.308 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -3.192 4.757 -3.831 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.689 5.110 -2.394 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.676 4.564 0.134 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.634 4.954 -1.690 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -4.731 4.128 2.131 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -0.767 4.460 0.561 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.298 4.055 2.444 1.00 0.32 H new ATOM 374 N ALA A 23 -5.843 7.221 -4.938 1.00 0.31 N ATOM 375 CA ALA A 23 -7.115 7.882 -5.198 1.00 0.33 C ATOM 376 C ALA A 23 -8.229 7.228 -4.388 1.00 0.36 C ATOM 377 O ALA A 23 -7.972 6.642 -3.337 1.00 0.83 O ATOM 378 CB ALA A 23 -7.431 7.838 -6.686 1.00 0.36 C ATOM 0 H ALA A 23 -5.661 6.416 -5.537 1.00 0.31 H new ATOM 0 HA ALA A 23 -7.040 8.925 -4.891 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.384 8.335 -6.870 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.643 8.347 -7.241 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.493 6.800 -7.014 1.00 0.36 H new ATOM 384 N LYS A 24 -9.468 7.322 -4.867 1.00 0.59 N ATOM 385 CA LYS A 24 -10.589 6.726 -4.154 1.00 0.61 C ATOM 386 C LYS A 24 -11.753 6.403 -5.096 1.00 0.59 C ATOM 387 O LYS A 24 -12.213 7.273 -5.836 1.00 0.69 O ATOM 388 CB LYS A 24 -11.063 7.673 -3.050 1.00 0.74 C ATOM 389 CG LYS A 24 -12.023 7.029 -2.065 1.00 1.21 C ATOM 390 CD LYS A 24 -13.384 6.781 -2.692 1.00 1.22 C ATOM 391 CE LYS A 24 -14.492 6.820 -1.652 1.00 1.55 C ATOM 392 NZ LYS A 24 -15.769 7.338 -2.217 1.00 2.11 N ATOM 0 H LYS A 24 -9.716 7.799 -5.734 1.00 0.59 H new ATOM 0 HA LYS A 24 -10.245 5.789 -3.715 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -10.195 8.047 -2.507 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -11.549 8.535 -3.507 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -11.606 6.085 -1.714 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -12.136 7.672 -1.192 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.576 7.533 -3.458 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.385 5.811 -3.190 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -14.652 5.818 -1.254 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -14.183 7.449 -0.817 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -16.498 7.348 -1.475 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -15.624 8.304 -2.574 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -16.078 6.724 -2.997 1.00 2.11 H new ATOM 406 N PRO A 25 -12.249 5.146 -5.080 1.00 0.56 N ATOM 407 CA PRO A 25 -13.365 4.711 -5.931 1.00 0.63 C ATOM 408 C PRO A 25 -14.529 5.697 -5.928 1.00 0.75 C ATOM 409 O PRO A 25 -14.485 6.727 -5.257 1.00 0.89 O ATOM 410 CB PRO A 25 -13.802 3.373 -5.307 1.00 0.63 C ATOM 411 CG PRO A 25 -13.032 3.254 -4.031 1.00 0.71 C ATOM 412 CD PRO A 25 -11.775 4.038 -4.245 1.00 0.58 C ATOM 0 HA PRO A 25 -13.061 4.633 -6.975 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.876 3.360 -5.120 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.585 2.539 -5.975 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -13.602 3.650 -3.191 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -12.810 2.212 -3.803 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -11.347 4.388 -3.306 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -11.006 3.449 -4.745 1.00 0.58 H new ATOM 420 N GLU A 26 -15.571 5.371 -6.688 1.00 0.85 N ATOM 421 CA GLU A 26 -16.746 6.230 -6.778 1.00 1.05 C ATOM 422 C GLU A 26 -18.023 5.497 -6.368 1.00 0.95 C ATOM 423 O GLU A 26 -19.072 6.121 -6.214 1.00 1.12 O ATOM 424 CB GLU A 26 -16.896 6.761 -8.204 1.00 1.29 C ATOM 425 CG GLU A 26 -15.639 7.425 -8.741 1.00 1.83 C ATOM 426 CD GLU A 26 -14.848 6.516 -9.659 1.00 2.18 C ATOM 427 OE1 GLU A 26 -14.214 5.566 -9.153 1.00 2.77 O ATOM 428 OE2 GLU A 26 -14.861 6.753 -10.885 1.00 2.53 O ATOM 0 H GLU A 26 -15.625 4.521 -7.249 1.00 0.85 H new ATOM 0 HA GLU A 26 -16.599 7.059 -6.086 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -17.171 5.937 -8.862 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -17.716 7.479 -8.231 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -15.913 8.331 -9.281 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -15.008 7.730 -7.906 1.00 1.83 H new ATOM 435 N TYR A 27 -17.943 4.178 -6.196 1.00 0.85 N ATOM 436 CA TYR A 27 -19.120 3.406 -5.812 1.00 0.84 C ATOM 437 C TYR A 27 -18.953 2.745 -4.446 1.00 0.86 C ATOM 438 O TYR A 27 -19.578 3.162 -3.471 1.00 1.37 O ATOM 439 CB TYR A 27 -19.446 2.348 -6.871 1.00 0.86 C ATOM 440 CG TYR A 27 -20.916 1.995 -6.919 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.846 2.866 -7.473 1.00 1.15 C ATOM 442 CD2 TYR A 27 -21.373 0.785 -6.413 1.00 0.93 C ATOM 443 CE1 TYR A 27 -23.186 2.544 -7.521 1.00 1.28 C ATOM 444 CE2 TYR A 27 -22.714 0.453 -6.458 1.00 1.04 C ATOM 445 CZ TYR A 27 -23.621 1.355 -7.001 1.00 1.19 C ATOM 446 OH TYR A 27 -24.953 1.011 -7.059 1.00 1.35 O ATOM 0 H TYR A 27 -17.090 3.631 -6.314 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.951 4.108 -5.742 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -19.133 2.712 -7.849 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.868 1.447 -6.667 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -21.513 3.812 -7.873 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -20.669 0.092 -5.977 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -23.891 3.229 -7.968 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -23.054 -0.498 -6.075 1.00 1.04 H new ATOM 0 HH TYR A 27 -25.083 0.133 -6.643 1.00 1.35 H new ATOM 456 N THR A 28 -18.124 1.707 -4.378 1.00 0.65 N ATOM 457 CA THR A 28 -17.904 0.992 -3.123 1.00 0.61 C ATOM 458 C THR A 28 -19.237 0.630 -2.478 1.00 0.66 C ATOM 459 O THR A 28 -19.444 0.843 -1.283 1.00 0.81 O ATOM 460 CB THR A 28 -17.067 1.833 -2.160 1.00 0.64 C ATOM 461 OG1 THR A 28 -17.762 3.008 -1.784 1.00 0.91 O ATOM 462 CG2 THR A 28 -15.731 2.252 -2.737 1.00 0.79 C ATOM 0 H THR A 28 -17.596 1.343 -5.171 1.00 0.65 H new ATOM 0 HA THR A 28 -17.358 0.075 -3.345 1.00 0.61 H new ATOM 0 HB THR A 28 -16.886 1.190 -1.298 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.706 2.924 -2.033 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.187 2.846 -2.002 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.149 1.365 -2.989 1.00 0.79 H new ATOM 0 HG23 THR A 28 -15.893 2.847 -3.636 1.00 0.79 H new ATOM 470 N GLY A 29 -20.140 0.085 -3.290 1.00 0.75 N ATOM 471 CA GLY A 29 -21.452 -0.301 -2.803 1.00 0.80 C ATOM 472 C GLY A 29 -22.098 0.787 -1.962 1.00 0.85 C ATOM 473 O GLY A 29 -22.747 1.687 -2.493 1.00 1.01 O ATOM 0 H GLY A 29 -19.984 -0.096 -4.282 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.097 -0.534 -3.650 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.364 -1.211 -2.210 1.00 0.80 H new ATOM 477 N GLY A 30 -21.907 0.708 -0.651 1.00 0.83 N ATOM 478 CA GLY A 30 -22.465 1.698 0.249 1.00 0.89 C ATOM 479 C GLY A 30 -21.542 1.917 1.422 1.00 0.85 C ATOM 480 O GLY A 30 -21.980 2.166 2.545 1.00 0.98 O ATOM 0 H GLY A 30 -21.372 -0.030 -0.193 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -22.618 2.637 -0.282 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -23.442 1.369 0.603 1.00 0.89 H new ATOM 484 N PHE A 31 -20.251 1.791 1.144 1.00 0.73 N ATOM 485 CA PHE A 31 -19.219 1.938 2.153 1.00 0.69 C ATOM 486 C PHE A 31 -18.249 3.056 1.794 1.00 0.67 C ATOM 487 O PHE A 31 -18.456 3.791 0.829 1.00 0.74 O ATOM 488 CB PHE A 31 -18.446 0.622 2.304 1.00 0.63 C ATOM 489 CG PHE A 31 -19.107 -0.573 1.664 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.168 -1.201 2.293 1.00 0.79 C ATOM 491 CD2 PHE A 31 -18.672 -1.062 0.439 1.00 0.64 C ATOM 492 CE1 PHE A 31 -20.785 -2.295 1.718 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.286 -2.155 -0.142 1.00 0.73 C ATOM 494 CZ PHE A 31 -20.344 -2.772 0.499 1.00 0.83 C ATOM 0 H PHE A 31 -19.893 1.584 0.211 1.00 0.73 H new ATOM 0 HA PHE A 31 -19.705 2.193 3.095 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -17.454 0.747 1.870 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -18.306 0.418 3.366 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -20.518 -0.831 3.245 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -17.845 -0.583 -0.065 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -21.611 -2.777 2.221 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -18.940 -2.527 -1.095 1.00 0.73 H new ATOM 0 HZ PHE A 31 -20.826 -3.627 0.047 1.00 0.83 H new ATOM 504 N LYS A 32 -17.184 3.171 2.579 1.00 0.68 N ATOM 505 CA LYS A 32 -16.171 4.195 2.353 1.00 0.72 C ATOM 506 C LYS A 32 -14.781 3.681 2.715 1.00 0.66 C ATOM 507 O LYS A 32 -13.972 4.412 3.287 1.00 0.74 O ATOM 508 CB LYS A 32 -16.484 5.450 3.168 1.00 0.86 C ATOM 509 CG LYS A 32 -17.156 5.163 4.502 1.00 1.38 C ATOM 510 CD LYS A 32 -17.229 6.407 5.371 1.00 1.38 C ATOM 511 CE LYS A 32 -15.864 7.053 5.538 1.00 1.50 C ATOM 512 NZ LYS A 32 -15.861 8.083 6.613 1.00 2.26 N ATOM 0 H LYS A 32 -16.999 2.566 3.379 1.00 0.68 H new ATOM 0 HA LYS A 32 -16.184 4.445 1.292 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -15.558 5.995 3.348 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -17.129 6.103 2.580 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -18.162 4.780 4.328 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -16.605 4.383 5.027 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -17.919 7.123 4.925 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -17.630 6.145 6.350 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -15.126 6.285 5.770 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -15.562 7.511 4.596 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -14.911 8.498 6.693 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -16.547 8.830 6.380 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -16.123 7.642 7.517 1.00 2.26 H new ATOM 526 N ILE A 33 -14.508 2.424 2.382 1.00 0.67 N ATOM 527 CA ILE A 33 -13.213 1.823 2.676 1.00 0.66 C ATOM 528 C ILE A 33 -12.975 1.776 4.186 1.00 0.80 C ATOM 529 O ILE A 33 -13.191 0.747 4.828 1.00 1.71 O ATOM 530 CB ILE A 33 -12.065 2.592 1.982 1.00 0.59 C ATOM 531 CG1 ILE A 33 -12.174 2.450 0.461 1.00 0.79 C ATOM 532 CG2 ILE A 33 -10.711 2.080 2.453 1.00 0.58 C ATOM 533 CD1 ILE A 33 -13.471 2.973 -0.112 1.00 0.91 C ATOM 0 H ILE A 33 -15.165 1.803 1.909 1.00 0.67 H new ATOM 0 HA ILE A 33 -13.224 0.805 2.286 1.00 0.66 H new ATOM 0 HB ILE A 33 -12.151 3.645 2.249 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -11.343 2.980 -0.004 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -12.069 1.398 0.196 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -9.918 2.635 1.952 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -10.625 2.217 3.531 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -10.619 1.021 2.214 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.472 2.837 -1.193 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -14.308 2.426 0.323 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -13.570 4.033 0.120 1.00 0.91 H new ATOM 545 N THR A 34 -12.536 2.899 4.746 1.00 0.72 N ATOM 546 CA THR A 34 -12.273 2.996 6.180 1.00 0.73 C ATOM 547 C THR A 34 -11.215 1.989 6.624 1.00 0.59 C ATOM 548 O THR A 34 -11.224 1.531 7.767 1.00 0.76 O ATOM 549 CB THR A 34 -13.565 2.770 6.967 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.816 1.386 7.133 1.00 1.09 O ATOM 551 CG2 THR A 34 -14.783 3.381 6.308 1.00 1.15 C ATOM 0 H THR A 34 -12.354 3.758 4.227 1.00 0.72 H new ATOM 0 HA THR A 34 -11.893 3.997 6.382 1.00 0.73 H new ATOM 0 HB THR A 34 -13.407 3.261 7.927 1.00 0.99 H new ATOM 0 HG1 THR A 34 -13.875 0.956 6.254 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.664 3.184 6.918 1.00 1.15 H new ATOM 0 HG22 THR A 34 -14.643 4.458 6.211 1.00 1.15 H new ATOM 0 HG23 THR A 34 -14.920 2.942 5.320 1.00 1.15 H new ATOM 559 N SER A 35 -10.300 1.651 5.720 1.00 0.49 N ATOM 560 CA SER A 35 -9.230 0.702 6.025 1.00 0.47 C ATOM 561 C SER A 35 -8.433 0.341 4.775 1.00 0.45 C ATOM 562 O SER A 35 -8.806 -0.561 4.026 1.00 0.72 O ATOM 563 CB SER A 35 -9.792 -0.574 6.657 1.00 0.64 C ATOM 564 OG SER A 35 -11.196 -0.665 6.492 1.00 1.58 O ATOM 0 H SER A 35 -10.277 2.020 4.769 1.00 0.49 H new ATOM 0 HA SER A 35 -8.563 1.189 6.736 1.00 0.47 H new ATOM 0 HB2 SER A 35 -9.315 -1.444 6.206 1.00 0.64 H new ATOM 0 HB3 SER A 35 -9.548 -0.592 7.719 1.00 0.64 H new ATOM 0 HG SER A 35 -11.642 -0.147 7.194 1.00 1.58 H new ATOM 570 N TYR A 36 -7.328 1.046 4.566 1.00 0.27 N ATOM 571 CA TYR A 36 -6.466 0.794 3.412 1.00 0.28 C ATOM 572 C TYR A 36 -5.224 0.007 3.814 1.00 0.33 C ATOM 573 O TYR A 36 -4.156 0.584 3.994 1.00 0.68 O ATOM 574 CB TYR A 36 -6.004 2.098 2.749 1.00 0.29 C ATOM 575 CG TYR A 36 -7.103 3.067 2.380 1.00 0.33 C ATOM 576 CD1 TYR A 36 -7.905 2.836 1.273 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.346 4.202 3.142 1.00 0.57 C ATOM 578 CE1 TYR A 36 -8.920 3.709 0.930 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.360 5.081 2.809 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.107 4.870 1.700 1.00 0.60 C ATOM 581 OH TYR A 36 -10.150 5.705 1.364 1.00 0.76 O ATOM 0 H TYR A 36 -7.006 1.796 5.178 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.065 0.218 2.706 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.311 2.602 3.423 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.446 1.848 1.847 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -7.734 1.958 0.668 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -6.733 4.401 4.009 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -9.559 3.503 0.084 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.557 5.938 3.436 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.167 6.470 1.977 1.00 0.76 H new ATOM 591 N ILE A 37 -5.352 -1.306 3.943 1.00 0.24 N ATOM 592 CA ILE A 37 -4.204 -2.129 4.317 1.00 0.26 C ATOM 593 C ILE A 37 -3.225 -2.237 3.150 1.00 0.33 C ATOM 594 O ILE A 37 -3.522 -2.868 2.137 1.00 0.70 O ATOM 595 CB ILE A 37 -4.603 -3.552 4.770 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.041 -3.591 5.299 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.636 -4.030 5.839 1.00 0.46 C ATOM 598 CD1 ILE A 37 -7.060 -4.002 4.255 1.00 1.14 C ATOM 0 H ILE A 37 -6.221 -1.820 3.798 1.00 0.24 H new ATOM 0 HA ILE A 37 -3.735 -1.630 5.165 1.00 0.26 H new ATOM 0 HB ILE A 37 -4.553 -4.215 3.906 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.092 -4.285 6.138 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.305 -2.606 5.684 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -3.915 -5.033 6.160 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -2.625 -4.047 5.433 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.673 -3.353 6.692 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -8.055 -4.008 4.700 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -7.037 -3.295 3.426 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -6.822 -5.000 3.887 1.00 1.14 H new ATOM 610 N VAL A 38 -2.059 -1.609 3.295 1.00 0.36 N ATOM 611 CA VAL A 38 -1.046 -1.633 2.243 1.00 0.42 C ATOM 612 C VAL A 38 -0.164 -2.871 2.329 1.00 0.35 C ATOM 613 O VAL A 38 0.950 -2.814 2.849 1.00 0.48 O ATOM 614 CB VAL A 38 -0.140 -0.387 2.284 1.00 0.63 C ATOM 615 CG1 VAL A 38 0.648 -0.256 0.986 1.00 0.51 C ATOM 616 CG2 VAL A 38 -0.953 0.865 2.550 1.00 0.46 C ATOM 0 H VAL A 38 -1.794 -1.080 4.126 1.00 0.36 H new ATOM 0 HA VAL A 38 -1.600 -1.647 1.304 1.00 0.42 H new ATOM 0 HB VAL A 38 0.568 -0.507 3.104 1.00 0.63 H new ATOM 0 HG11 VAL A 38 1.282 0.629 1.033 1.00 0.51 H new ATOM 0 HG12 VAL A 38 1.270 -1.141 0.847 1.00 0.51 H new ATOM 0 HG13 VAL A 38 -0.043 -0.163 0.148 1.00 0.51 H new ATOM 0 HG21 VAL A 38 -0.291 1.730 2.574 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -1.691 0.995 1.758 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -1.463 0.771 3.509 1.00 0.46 H new ATOM 626 N GLU A 39 -0.657 -3.985 1.798 1.00 0.30 N ATOM 627 CA GLU A 39 0.103 -5.226 1.796 1.00 0.33 C ATOM 628 C GLU A 39 1.482 -4.977 1.189 1.00 0.32 C ATOM 629 O GLU A 39 1.606 -4.249 0.203 1.00 0.43 O ATOM 630 CB GLU A 39 -0.647 -6.296 1.001 1.00 0.42 C ATOM 631 CG GLU A 39 -2.110 -6.428 1.386 1.00 0.51 C ATOM 632 CD GLU A 39 -2.431 -7.776 2.000 1.00 0.92 C ATOM 633 OE1 GLU A 39 -2.764 -8.711 1.240 1.00 1.52 O ATOM 634 OE2 GLU A 39 -2.348 -7.899 3.240 1.00 1.67 O ATOM 0 H GLU A 39 -1.578 -4.052 1.365 1.00 0.30 H new ATOM 0 HA GLU A 39 0.226 -5.580 2.820 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.580 -6.061 -0.061 1.00 0.42 H new ATOM 0 HB3 GLU A 39 -0.154 -7.257 1.147 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -2.368 -5.640 2.093 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.730 -6.279 0.502 1.00 0.51 H new ATOM 641 N LYS A 40 2.518 -5.563 1.779 1.00 0.28 N ATOM 642 CA LYS A 40 3.876 -5.364 1.281 1.00 0.31 C ATOM 643 C LYS A 40 4.456 -6.633 0.673 1.00 0.29 C ATOM 644 O LYS A 40 4.076 -7.747 1.032 1.00 0.35 O ATOM 645 CB LYS A 40 4.795 -4.866 2.398 1.00 0.43 C ATOM 646 CG LYS A 40 4.849 -5.786 3.607 1.00 0.92 C ATOM 647 CD LYS A 40 6.276 -6.217 3.909 1.00 1.14 C ATOM 648 CE LYS A 40 6.593 -6.101 5.390 1.00 1.65 C ATOM 649 NZ LYS A 40 7.473 -4.935 5.679 1.00 1.97 N ATOM 0 H LYS A 40 2.447 -6.173 2.593 1.00 0.28 H new ATOM 0 HA LYS A 40 3.816 -4.611 0.496 1.00 0.31 H new ATOM 0 HB2 LYS A 40 5.803 -4.746 2.000 1.00 0.43 H new ATOM 0 HB3 LYS A 40 4.459 -3.880 2.719 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.430 -5.276 4.474 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.232 -6.666 3.425 1.00 0.92 H new ATOM 0 HD2 LYS A 40 6.422 -7.247 3.585 1.00 1.14 H new ATOM 0 HD3 LYS A 40 6.971 -5.602 3.338 1.00 1.14 H new ATOM 0 HE2 LYS A 40 5.665 -6.004 5.954 1.00 1.65 H new ATOM 0 HE3 LYS A 40 7.079 -7.016 5.730 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 7.666 -4.890 6.700 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 8.369 -5.040 5.161 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 6.999 -4.059 5.378 1.00 1.97 H new ATOM 663 N ARG A 41 5.390 -6.438 -0.251 1.00 0.36 N ATOM 664 CA ARG A 41 6.054 -7.540 -0.930 1.00 0.40 C ATOM 665 C ARG A 41 7.568 -7.373 -0.849 1.00 0.41 C ATOM 666 O ARG A 41 8.161 -6.616 -1.623 1.00 0.43 O ATOM 667 CB ARG A 41 5.603 -7.589 -2.388 1.00 0.46 C ATOM 668 CG ARG A 41 5.794 -8.942 -3.065 1.00 0.58 C ATOM 669 CD ARG A 41 4.453 -9.605 -3.339 1.00 0.88 C ATOM 670 NE ARG A 41 4.212 -9.911 -4.756 1.00 0.95 N ATOM 671 CZ ARG A 41 4.371 -9.061 -5.783 1.00 1.13 C ATOM 672 NH1 ARG A 41 4.812 -7.837 -5.544 1.00 1.44 N ATOM 673 NH2 ARG A 41 4.119 -9.413 -7.040 1.00 1.44 N ATOM 0 H ARG A 41 5.706 -5.515 -0.548 1.00 0.36 H new ATOM 0 HA ARG A 41 5.784 -8.477 -0.442 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.548 -7.318 -2.438 1.00 0.46 H new ATOM 0 HB3 ARG A 41 6.153 -6.835 -2.951 1.00 0.46 H new ATOM 0 HG2 ARG A 41 6.338 -8.812 -4.001 1.00 0.58 H new ATOM 0 HG3 ARG A 41 6.401 -9.588 -2.431 1.00 0.58 H new ATOM 0 HD2 ARG A 41 4.393 -10.529 -2.764 1.00 0.88 H new ATOM 0 HD3 ARG A 41 3.657 -8.953 -2.979 1.00 0.88 H new ATOM 0 HE ARG A 41 3.895 -10.854 -4.979 1.00 0.95 H new ATOM 0 HH11 ARG A 41 5.027 -7.550 -4.589 1.00 1.44 H new ATOM 0 HH12 ARG A 41 4.938 -7.181 -6.315 1.00 1.44 H new ATOM 0 HH21 ARG A 41 3.793 -10.356 -7.250 1.00 1.44 H new ATOM 0 HH22 ARG A 41 4.251 -8.740 -7.795 1.00 1.44 H new ATOM 687 N ASP A 42 8.179 -8.076 0.103 1.00 0.50 N ATOM 688 CA ASP A 42 9.624 -8.013 0.309 1.00 0.57 C ATOM 689 C ASP A 42 10.361 -8.797 -0.770 1.00 0.62 C ATOM 690 O ASP A 42 10.830 -9.906 -0.529 1.00 0.91 O ATOM 691 CB ASP A 42 10.000 -8.574 1.688 1.00 0.71 C ATOM 692 CG ASP A 42 8.933 -8.343 2.743 1.00 0.93 C ATOM 693 OD1 ASP A 42 7.766 -8.717 2.501 1.00 1.59 O ATOM 694 OD2 ASP A 42 9.267 -7.793 3.813 1.00 1.49 O ATOM 0 H ASP A 42 7.692 -8.699 0.747 1.00 0.50 H new ATOM 0 HA ASP A 42 9.920 -6.965 0.253 1.00 0.57 H new ATOM 0 HB2 ASP A 42 10.186 -9.644 1.598 1.00 0.71 H new ATOM 0 HB3 ASP A 42 10.932 -8.115 2.017 1.00 0.71 H new ATOM 699 N LEU A 43 10.459 -8.214 -1.957 1.00 0.63 N ATOM 700 CA LEU A 43 11.141 -8.864 -3.070 1.00 0.68 C ATOM 701 C LEU A 43 12.586 -9.208 -2.706 1.00 0.81 C ATOM 702 O LEU A 43 13.276 -8.410 -2.072 1.00 0.90 O ATOM 703 CB LEU A 43 11.108 -7.963 -4.305 1.00 0.62 C ATOM 704 CG LEU A 43 9.758 -7.292 -4.565 1.00 0.64 C ATOM 705 CD1 LEU A 43 9.754 -6.579 -5.908 1.00 0.80 C ATOM 706 CD2 LEU A 43 8.642 -8.323 -4.500 1.00 0.70 C ATOM 0 H LEU A 43 10.076 -7.294 -2.175 1.00 0.63 H new ATOM 0 HA LEU A 43 10.618 -9.794 -3.292 1.00 0.68 H new ATOM 0 HB2 LEU A 43 11.869 -7.190 -4.196 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.379 -8.556 -5.179 1.00 0.62 H new ATOM 0 HG LEU A 43 9.589 -6.544 -3.790 1.00 0.64 H new ATOM 0 HD11 LEU A 43 8.783 -6.111 -6.068 1.00 0.80 H new ATOM 0 HD12 LEU A 43 10.531 -5.815 -5.917 1.00 0.80 H new ATOM 0 HD13 LEU A 43 9.945 -7.300 -6.703 1.00 0.80 H new ATOM 0 HD21 LEU A 43 7.685 -7.836 -4.686 1.00 0.70 H new ATOM 0 HD22 LEU A 43 8.811 -9.091 -5.255 1.00 0.70 H new ATOM 0 HD23 LEU A 43 8.629 -8.783 -3.512 1.00 0.70 H new ATOM 718 N PRO A 44 13.070 -10.407 -3.096 1.00 0.92 N ATOM 719 CA PRO A 44 12.299 -11.394 -3.849 1.00 0.99 C ATOM 720 C PRO A 44 11.584 -12.399 -2.947 1.00 1.15 C ATOM 721 O PRO A 44 11.165 -13.464 -3.402 1.00 1.43 O ATOM 722 CB PRO A 44 13.384 -12.085 -4.664 1.00 1.15 C ATOM 723 CG PRO A 44 14.591 -12.067 -3.779 1.00 1.25 C ATOM 724 CD PRO A 44 14.433 -10.894 -2.833 1.00 1.08 C ATOM 0 HA PRO A 44 11.501 -10.943 -4.439 1.00 0.99 H new ATOM 0 HB2 PRO A 44 13.097 -13.104 -4.922 1.00 1.15 H new ATOM 0 HB3 PRO A 44 13.571 -11.560 -5.601 1.00 1.15 H new ATOM 0 HG2 PRO A 44 14.675 -13.001 -3.224 1.00 1.25 H new ATOM 0 HG3 PRO A 44 15.501 -11.965 -4.371 1.00 1.25 H new ATOM 0 HD2 PRO A 44 14.554 -11.200 -1.794 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.177 -10.122 -3.027 1.00 1.08 H new ATOM 732 N ASN A 45 11.449 -12.058 -1.668 1.00 1.14 N ATOM 733 CA ASN A 45 10.787 -12.938 -0.708 1.00 1.33 C ATOM 734 C ASN A 45 9.595 -12.248 -0.050 1.00 1.43 C ATOM 735 O ASN A 45 9.491 -12.205 1.177 1.00 2.42 O ATOM 736 CB ASN A 45 11.773 -13.390 0.370 1.00 1.66 C ATOM 737 CG ASN A 45 12.537 -12.231 0.978 1.00 1.93 C ATOM 738 OD1 ASN A 45 12.041 -11.548 1.875 1.00 2.66 O ATOM 739 ND2 ASN A 45 13.748 -12.001 0.488 1.00 1.89 N ATOM 0 H ASN A 45 11.788 -11.181 -1.273 1.00 1.14 H new ATOM 0 HA ASN A 45 10.424 -13.807 -1.256 1.00 1.33 H new ATOM 0 HB2 ASN A 45 11.231 -13.917 1.156 1.00 1.66 H new ATOM 0 HB3 ASN A 45 12.479 -14.100 -0.062 1.00 1.66 H new ATOM 0 HD21 ASN A 45 14.309 -11.232 0.855 1.00 1.89 H new ATOM 0 HD22 ASN A 45 14.118 -12.593 -0.255 1.00 1.89 H new ATOM 746 N GLY A 46 8.694 -11.715 -0.867 1.00 0.90 N ATOM 747 CA GLY A 46 7.524 -11.043 -0.335 1.00 1.12 C ATOM 748 C GLY A 46 6.268 -11.885 -0.462 1.00 0.76 C ATOM 749 O GLY A 46 6.290 -12.956 -1.066 1.00 0.96 O ATOM 0 H GLY A 46 8.752 -11.736 -1.885 1.00 0.90 H new ATOM 0 HA2 GLY A 46 7.692 -10.802 0.715 1.00 1.12 H new ATOM 0 HA3 GLY A 46 7.380 -10.099 -0.860 1.00 1.12 H new ATOM 753 N ARG A 47 5.169 -11.403 0.112 1.00 0.80 N ATOM 754 CA ARG A 47 3.906 -12.127 0.062 1.00 0.76 C ATOM 755 C ARG A 47 2.743 -11.228 0.477 1.00 0.85 C ATOM 756 O ARG A 47 1.857 -11.644 1.223 1.00 1.71 O ATOM 757 CB ARG A 47 3.972 -13.352 0.972 1.00 0.99 C ATOM 758 CG ARG A 47 4.060 -13.004 2.449 1.00 1.31 C ATOM 759 CD ARG A 47 5.487 -12.696 2.875 1.00 1.11 C ATOM 760 NE ARG A 47 6.180 -13.879 3.385 1.00 1.41 N ATOM 761 CZ ARG A 47 6.003 -14.372 4.608 1.00 1.71 C ATOM 762 NH1 ARG A 47 5.157 -13.786 5.445 1.00 2.03 N ATOM 763 NH2 ARG A 47 6.672 -15.449 4.997 1.00 2.41 N ATOM 0 H ARG A 47 5.129 -10.517 0.615 1.00 0.80 H new ATOM 0 HA ARG A 47 3.736 -12.450 -0.965 1.00 0.76 H new ATOM 0 HB2 ARG A 47 3.089 -13.968 0.804 1.00 0.99 H new ATOM 0 HB3 ARG A 47 4.838 -13.954 0.696 1.00 0.99 H new ATOM 0 HG2 ARG A 47 3.425 -12.143 2.658 1.00 1.31 H new ATOM 0 HG3 ARG A 47 3.676 -13.834 3.041 1.00 1.31 H new ATOM 0 HD2 ARG A 47 6.038 -12.292 2.026 1.00 1.11 H new ATOM 0 HD3 ARG A 47 5.476 -11.924 3.644 1.00 1.11 H new ATOM 0 HE ARG A 47 6.838 -14.354 2.767 1.00 1.41 H new ATOM 0 HH11 ARG A 47 4.641 -12.956 5.151 1.00 2.03 H new ATOM 0 HH12 ARG A 47 5.022 -14.165 6.382 1.00 2.03 H new ATOM 0 HH21 ARG A 47 7.325 -15.902 4.358 1.00 2.41 H new ATOM 0 HH22 ARG A 47 6.534 -15.824 5.935 1.00 2.41 H new ATOM 777 N TRP A 48 2.760 -9.991 -0.012 1.00 0.50 N ATOM 778 CA TRP A 48 1.718 -9.010 0.299 1.00 0.43 C ATOM 779 C TRP A 48 1.301 -9.070 1.765 1.00 0.45 C ATOM 780 O TRP A 48 0.184 -9.479 2.084 1.00 0.65 O ATOM 781 CB TRP A 48 0.493 -9.217 -0.589 1.00 0.47 C ATOM 782 CG TRP A 48 0.799 -9.057 -2.041 1.00 0.45 C ATOM 783 CD1 TRP A 48 0.479 -9.922 -3.045 1.00 0.52 C ATOM 784 CD2 TRP A 48 1.499 -7.969 -2.652 1.00 0.39 C ATOM 785 NE1 TRP A 48 0.939 -9.437 -4.243 1.00 0.50 N ATOM 786 CE2 TRP A 48 1.567 -8.240 -4.026 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.077 -6.791 -2.174 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.191 -7.374 -4.918 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.693 -5.939 -3.056 1.00 0.36 C ATOM 790 CH2 TRP A 48 2.748 -6.232 -4.410 1.00 0.38 C ATOM 0 H TRP A 48 3.490 -9.640 -0.631 1.00 0.50 H new ATOM 0 HA TRP A 48 2.142 -8.025 0.104 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.088 -10.214 -0.415 1.00 0.47 H new ATOM 0 HB3 TRP A 48 -0.281 -8.504 -0.305 1.00 0.47 H new ATOM 0 HD1 TRP A 48 -0.057 -10.851 -2.916 1.00 0.52 H new ATOM 0 HE1 TRP A 48 0.831 -9.894 -5.148 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.040 -6.553 -1.121 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 2.234 -7.595 -5.974 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.141 -5.027 -2.690 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.242 -5.543 -5.079 1.00 0.38 H new ATOM 801 N LEU A 49 2.195 -8.655 2.652 1.00 0.38 N ATOM 802 CA LEU A 49 1.900 -8.658 4.076 1.00 0.42 C ATOM 803 C LEU A 49 1.544 -7.257 4.546 1.00 0.36 C ATOM 804 O LEU A 49 2.335 -6.325 4.403 1.00 0.39 O ATOM 805 CB LEU A 49 3.088 -9.199 4.877 1.00 0.52 C ATOM 806 CG LEU A 49 2.846 -10.548 5.555 1.00 0.67 C ATOM 807 CD1 LEU A 49 2.011 -10.372 6.814 1.00 1.28 C ATOM 808 CD2 LEU A 49 2.168 -11.513 4.595 1.00 0.84 C ATOM 0 H LEU A 49 3.126 -8.314 2.411 1.00 0.38 H new ATOM 0 HA LEU A 49 1.045 -9.313 4.245 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.945 -9.293 4.210 1.00 0.52 H new ATOM 0 HB3 LEU A 49 3.356 -8.468 5.640 1.00 0.52 H new ATOM 0 HG LEU A 49 3.811 -10.967 5.840 1.00 0.67 H new ATOM 0 HD11 LEU A 49 1.850 -11.343 7.282 1.00 1.28 H new ATOM 0 HD12 LEU A 49 2.535 -9.716 7.509 1.00 1.28 H new ATOM 0 HD13 LEU A 49 1.049 -9.930 6.554 1.00 1.28 H new ATOM 0 HD21 LEU A 49 2.004 -12.468 5.094 1.00 0.84 H new ATOM 0 HD22 LEU A 49 1.210 -11.099 4.279 1.00 0.84 H new ATOM 0 HD23 LEU A 49 2.803 -11.665 3.722 1.00 0.84 H new ATOM 820 N LYS A 50 0.346 -7.113 5.099 1.00 0.40 N ATOM 821 CA LYS A 50 -0.128 -5.822 5.588 1.00 0.40 C ATOM 822 C LYS A 50 0.958 -5.089 6.373 1.00 0.47 C ATOM 823 O LYS A 50 1.103 -5.282 7.580 1.00 0.85 O ATOM 824 CB LYS A 50 -1.362 -6.020 6.464 1.00 0.59 C ATOM 825 CG LYS A 50 -1.175 -7.057 7.557 1.00 0.72 C ATOM 826 CD LYS A 50 -1.552 -6.503 8.920 1.00 1.03 C ATOM 827 CE LYS A 50 -3.056 -6.548 9.145 1.00 0.86 C ATOM 828 NZ LYS A 50 -3.558 -7.944 9.274 1.00 1.30 N ATOM 0 H LYS A 50 -0.318 -7.877 5.221 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.388 -5.209 4.725 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.629 -5.067 6.921 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.200 -6.317 5.834 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -1.786 -7.933 7.337 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -0.137 -7.388 7.572 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -1.049 -7.077 9.699 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -1.201 -5.475 9.005 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -3.305 -5.988 10.047 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -3.562 -6.056 8.314 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -4.483 -7.938 9.750 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -3.658 -8.366 8.329 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -2.884 -8.505 9.833 1.00 1.30 H new ATOM 842 N ALA A 51 1.714 -4.245 5.678 1.00 0.45 N ATOM 843 CA ALA A 51 2.781 -3.481 6.308 1.00 0.63 C ATOM 844 C ALA A 51 2.212 -2.544 7.363 1.00 0.55 C ATOM 845 O ALA A 51 2.725 -2.461 8.479 1.00 0.72 O ATOM 846 CB ALA A 51 3.560 -2.697 5.264 1.00 0.86 C ATOM 0 H ALA A 51 1.606 -4.074 4.678 1.00 0.45 H new ATOM 0 HA ALA A 51 3.463 -4.177 6.797 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.354 -2.131 5.751 1.00 0.86 H new ATOM 0 HB2 ALA A 51 3.997 -3.387 4.542 1.00 0.86 H new ATOM 0 HB3 ALA A 51 2.889 -2.010 4.749 1.00 0.86 H new ATOM 852 N ASN A 52 1.146 -1.841 6.999 1.00 0.42 N ATOM 853 CA ASN A 52 0.498 -0.908 7.911 1.00 0.43 C ATOM 854 C ASN A 52 -0.059 -1.631 9.130 1.00 0.59 C ATOM 855 O ASN A 52 -0.811 -2.599 9.004 1.00 1.60 O ATOM 856 CB ASN A 52 -0.626 -0.160 7.193 1.00 0.38 C ATOM 857 CG ASN A 52 -1.779 -1.068 6.815 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.637 -1.953 5.970 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.931 -0.852 7.439 1.00 0.62 N ATOM 0 H ASN A 52 0.712 -1.900 6.078 1.00 0.42 H new ATOM 0 HA ASN A 52 1.248 -0.192 8.248 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.994 0.640 7.835 1.00 0.38 H new ATOM 0 HB3 ASN A 52 -0.228 0.310 6.294 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.743 -1.431 7.225 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -3.004 -0.107 8.132 1.00 0.62 H new ATOM 866 N PHE A 53 0.313 -1.151 10.311 1.00 0.81 N ATOM 867 CA PHE A 53 -0.149 -1.745 11.559 1.00 0.82 C ATOM 868 C PHE A 53 -1.354 -0.988 12.116 1.00 0.84 C ATOM 869 O PHE A 53 -2.077 -1.502 12.970 1.00 1.20 O ATOM 870 CB PHE A 53 0.981 -1.759 12.593 1.00 0.96 C ATOM 871 CG PHE A 53 0.945 -2.943 13.526 1.00 1.15 C ATOM 872 CD1 PHE A 53 -0.198 -3.720 13.651 1.00 1.32 C ATOM 873 CD2 PHE A 53 2.060 -3.277 14.278 1.00 1.68 C ATOM 874 CE1 PHE A 53 -0.229 -4.803 14.505 1.00 1.66 C ATOM 875 CE2 PHE A 53 2.035 -4.361 15.135 1.00 2.08 C ATOM 876 CZ PHE A 53 0.890 -5.125 15.249 1.00 1.96 C ATOM 0 H PHE A 53 0.934 -0.351 10.430 1.00 0.81 H new ATOM 0 HA PHE A 53 -0.454 -2.770 11.349 1.00 0.82 H new ATOM 0 HB2 PHE A 53 1.938 -1.750 12.071 1.00 0.96 H new ATOM 0 HB3 PHE A 53 0.931 -0.843 13.182 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -1.075 -3.473 13.072 1.00 1.32 H new ATOM 0 HD2 PHE A 53 2.958 -2.684 14.193 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -1.126 -5.398 14.592 1.00 1.66 H new ATOM 0 HE2 PHE A 53 2.911 -4.611 15.716 1.00 2.08 H new ATOM 0 HZ PHE A 53 0.869 -5.972 15.918 1.00 1.96 H new ATOM 886 N SER A 54 -1.566 0.234 11.632 1.00 0.79 N ATOM 887 CA SER A 54 -2.683 1.052 12.088 1.00 0.89 C ATOM 888 C SER A 54 -3.725 1.210 10.985 1.00 0.95 C ATOM 889 O SER A 54 -3.389 1.271 9.802 1.00 1.89 O ATOM 890 CB SER A 54 -2.187 2.428 12.538 1.00 1.00 C ATOM 891 OG SER A 54 -1.807 2.412 13.903 1.00 1.71 O ATOM 0 H SER A 54 -0.979 0.677 10.925 1.00 0.79 H new ATOM 0 HA SER A 54 -3.148 0.548 12.935 1.00 0.89 H new ATOM 0 HB2 SER A 54 -1.338 2.731 11.925 1.00 1.00 H new ATOM 0 HB3 SER A 54 -2.972 3.169 12.384 1.00 1.00 H new ATOM 0 HG SER A 54 -1.492 3.302 14.165 1.00 1.71 H new ATOM 897 N ASN A 55 -4.991 1.276 11.382 1.00 0.75 N ATOM 898 CA ASN A 55 -6.086 1.427 10.432 1.00 0.69 C ATOM 899 C ASN A 55 -5.882 2.661 9.557 1.00 0.66 C ATOM 900 O ASN A 55 -5.963 3.792 10.035 1.00 1.05 O ATOM 901 CB ASN A 55 -7.418 1.531 11.179 1.00 0.84 C ATOM 902 CG ASN A 55 -8.572 0.950 10.388 1.00 1.11 C ATOM 903 OD1 ASN A 55 -9.263 0.042 10.849 1.00 1.87 O ATOM 904 ND2 ASN A 55 -8.784 1.473 9.188 1.00 0.83 N ATOM 0 H ASN A 55 -5.284 1.227 12.358 1.00 0.75 H new ATOM 0 HA ASN A 55 -6.103 0.548 9.788 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -7.337 1.011 12.134 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -7.625 2.578 11.403 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -9.546 1.123 8.607 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -8.185 2.225 8.846 1.00 0.83 H new ATOM 911 N ILE A 56 -5.620 2.436 8.271 1.00 0.40 N ATOM 912 CA ILE A 56 -5.409 3.536 7.334 1.00 0.33 C ATOM 913 C ILE A 56 -6.732 4.199 6.968 1.00 0.31 C ATOM 914 O ILE A 56 -7.388 3.802 6.006 1.00 0.53 O ATOM 915 CB ILE A 56 -4.721 3.066 6.033 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.542 2.147 6.333 1.00 0.43 C ATOM 917 CG2 ILE A 56 -4.259 4.259 5.213 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.451 2.815 7.118 1.00 0.69 C ATOM 0 H ILE A 56 -5.549 1.507 7.856 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.759 4.250 7.839 1.00 0.33 H new ATOM 0 HB ILE A 56 -5.453 2.502 5.455 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -3.899 1.279 6.887 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.130 1.778 5.394 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.777 3.908 4.300 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -5.118 4.878 4.955 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.550 4.848 5.795 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.644 2.105 7.296 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.067 3.667 6.556 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -2.848 3.160 8.073 1.00 0.69 H new ATOM 930 N LEU A 57 -7.122 5.211 7.738 1.00 0.44 N ATOM 931 CA LEU A 57 -8.367 5.921 7.478 1.00 0.45 C ATOM 932 C LEU A 57 -8.224 6.816 6.252 1.00 0.42 C ATOM 933 O LEU A 57 -9.145 6.937 5.446 1.00 0.60 O ATOM 934 CB LEU A 57 -8.780 6.753 8.696 1.00 0.48 C ATOM 935 CG LEU A 57 -10.196 7.341 8.641 1.00 0.85 C ATOM 936 CD1 LEU A 57 -10.194 8.660 7.883 1.00 1.60 C ATOM 937 CD2 LEU A 57 -11.172 6.358 8.006 1.00 0.72 C ATOM 0 H LEU A 57 -6.597 5.555 8.542 1.00 0.44 H new ATOM 0 HA LEU A 57 -9.146 5.184 7.284 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -8.698 6.129 9.586 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.069 7.571 8.814 1.00 0.48 H new ATOM 0 HG LEU A 57 -10.526 7.528 9.663 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.206 9.064 7.853 1.00 1.60 H new ATOM 0 HD12 LEU A 57 -9.535 9.368 8.386 1.00 1.60 H new ATOM 0 HD13 LEU A 57 -9.839 8.495 6.866 1.00 1.60 H new ATOM 0 HD21 LEU A 57 -12.168 6.800 7.980 1.00 0.72 H new ATOM 0 HD22 LEU A 57 -10.849 6.130 6.990 1.00 0.72 H new ATOM 0 HD23 LEU A 57 -11.198 5.440 8.593 1.00 0.72 H new ATOM 949 N GLU A 58 -7.054 7.430 6.114 1.00 0.39 N ATOM 950 CA GLU A 58 -6.776 8.298 4.981 1.00 0.43 C ATOM 951 C GLU A 58 -5.962 7.539 3.945 1.00 0.51 C ATOM 952 O GLU A 58 -5.256 6.587 4.276 1.00 1.09 O ATOM 953 CB GLU A 58 -6.021 9.550 5.434 1.00 0.44 C ATOM 954 CG GLU A 58 -4.627 9.261 5.967 1.00 0.44 C ATOM 955 CD GLU A 58 -4.398 9.839 7.350 1.00 0.75 C ATOM 956 OE1 GLU A 58 -4.345 11.082 7.473 1.00 1.29 O ATOM 957 OE2 GLU A 58 -4.272 9.051 8.310 1.00 1.54 O ATOM 0 H GLU A 58 -6.283 7.341 6.776 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.721 8.612 4.537 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -5.944 10.241 4.595 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.600 10.053 6.209 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.471 8.183 5.998 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -3.887 9.671 5.279 1.00 0.44 H new ATOM 964 N ASN A 59 -6.064 7.952 2.691 1.00 0.31 N ATOM 965 CA ASN A 59 -5.333 7.289 1.621 1.00 0.28 C ATOM 966 C ASN A 59 -3.842 7.650 1.631 1.00 0.28 C ATOM 967 O ASN A 59 -3.076 7.154 0.805 1.00 0.49 O ATOM 968 CB ASN A 59 -5.950 7.622 0.267 1.00 0.32 C ATOM 969 CG ASN A 59 -6.080 9.116 0.037 1.00 0.86 C ATOM 970 OD1 ASN A 59 -5.940 9.912 0.965 1.00 1.75 O ATOM 971 ND2 ASN A 59 -6.352 9.503 -1.203 1.00 0.91 N ATOM 0 H ASN A 59 -6.641 8.737 2.390 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.410 6.216 1.794 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.338 7.188 -0.524 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -6.935 7.160 0.197 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -6.453 10.495 -1.417 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -6.460 8.808 -1.942 1.00 0.91 H new ATOM 978 N GLU A 60 -3.430 8.502 2.572 1.00 0.29 N ATOM 979 CA GLU A 60 -2.033 8.901 2.685 1.00 0.29 C ATOM 980 C GLU A 60 -1.372 8.116 3.805 1.00 0.27 C ATOM 981 O GLU A 60 -1.616 8.374 4.983 1.00 0.35 O ATOM 982 CB GLU A 60 -1.916 10.400 2.967 1.00 0.34 C ATOM 983 CG GLU A 60 -0.562 10.986 2.597 1.00 0.49 C ATOM 984 CD GLU A 60 -0.100 10.563 1.217 1.00 1.26 C ATOM 985 OE1 GLU A 60 0.102 9.348 1.004 1.00 2.05 O ATOM 986 OE2 GLU A 60 0.062 11.446 0.348 1.00 1.91 O ATOM 0 H GLU A 60 -4.047 8.927 3.265 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.533 8.689 1.740 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.694 10.927 2.414 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.102 10.577 4.026 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.617 12.074 2.640 1.00 0.49 H new ATOM 0 HG3 GLU A 60 0.178 10.675 3.335 1.00 0.49 H new ATOM 993 N PHE A 61 -0.550 7.146 3.437 1.00 0.24 N ATOM 994 CA PHE A 61 0.118 6.319 4.432 1.00 0.24 C ATOM 995 C PHE A 61 1.585 6.079 4.082 1.00 0.24 C ATOM 996 O PHE A 61 2.023 6.323 2.959 1.00 0.25 O ATOM 997 CB PHE A 61 -0.624 4.982 4.562 1.00 0.28 C ATOM 998 CG PHE A 61 0.123 3.938 5.334 1.00 0.33 C ATOM 999 CD1 PHE A 61 0.167 3.975 6.717 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.789 2.926 4.671 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.860 3.014 7.425 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.477 1.967 5.370 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.517 2.007 6.748 1.00 0.48 C ATOM 0 H PHE A 61 -0.330 6.913 2.469 1.00 0.24 H new ATOM 0 HA PHE A 61 0.097 6.849 5.384 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.585 5.158 5.046 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.836 4.598 3.564 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.346 4.764 7.247 1.00 0.41 H new ATOM 0 HD2 PHE A 61 0.768 2.889 3.592 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.888 3.050 8.504 1.00 0.48 H new ATOM 0 HE2 PHE A 61 1.989 1.178 4.839 1.00 0.44 H new ATOM 0 HZ PHE A 61 2.061 1.252 7.296 1.00 0.48 H new ATOM 1013 N THR A 62 2.330 5.588 5.069 1.00 0.25 N ATOM 1014 CA THR A 62 3.741 5.293 4.904 1.00 0.27 C ATOM 1015 C THR A 62 4.076 3.917 5.464 1.00 0.29 C ATOM 1016 O THR A 62 4.232 3.746 6.673 1.00 0.35 O ATOM 1017 CB THR A 62 4.590 6.362 5.593 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.351 7.635 5.021 1.00 0.42 O ATOM 1019 CG2 THR A 62 6.078 6.094 5.518 1.00 0.37 C ATOM 0 H THR A 62 1.969 5.386 6.001 1.00 0.25 H new ATOM 0 HA THR A 62 3.967 5.294 3.838 1.00 0.27 H new ATOM 0 HB THR A 62 4.290 6.335 6.641 1.00 0.33 H new ATOM 0 HG1 THR A 62 5.160 7.945 4.564 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.618 6.893 6.027 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.301 5.141 5.999 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.388 6.055 4.474 1.00 0.37 H new ATOM 1027 N VAL A 63 4.187 2.938 4.572 1.00 0.31 N ATOM 1028 CA VAL A 63 4.506 1.575 4.968 1.00 0.36 C ATOM 1029 C VAL A 63 5.819 1.522 5.734 1.00 0.38 C ATOM 1030 O VAL A 63 6.767 2.240 5.409 1.00 0.50 O ATOM 1031 CB VAL A 63 4.606 0.641 3.744 1.00 0.44 C ATOM 1032 CG1 VAL A 63 3.343 0.723 2.901 1.00 0.58 C ATOM 1033 CG2 VAL A 63 5.831 0.983 2.911 1.00 1.08 C ATOM 0 H VAL A 63 4.060 3.066 3.568 1.00 0.31 H new ATOM 0 HA VAL A 63 3.694 1.235 5.611 1.00 0.36 H new ATOM 0 HB VAL A 63 4.710 -0.383 4.102 1.00 0.44 H new ATOM 0 HG11 VAL A 63 3.434 0.057 2.043 1.00 0.58 H new ATOM 0 HG12 VAL A 63 2.484 0.425 3.502 1.00 0.58 H new ATOM 0 HG13 VAL A 63 3.204 1.746 2.553 1.00 0.58 H new ATOM 0 HG21 VAL A 63 5.885 0.314 2.052 1.00 1.08 H new ATOM 0 HG22 VAL A 63 5.759 2.014 2.564 1.00 1.08 H new ATOM 0 HG23 VAL A 63 6.728 0.867 3.519 1.00 1.08 H new ATOM 1043 N SER A 64 5.877 0.664 6.741 1.00 0.49 N ATOM 1044 CA SER A 64 7.087 0.520 7.529 1.00 0.55 C ATOM 1045 C SER A 64 7.401 -0.938 7.785 1.00 0.63 C ATOM 1046 O SER A 64 6.521 -1.799 7.787 1.00 0.99 O ATOM 1047 CB SER A 64 6.980 1.257 8.858 1.00 0.63 C ATOM 1048 OG SER A 64 8.257 1.431 9.447 1.00 1.33 O ATOM 0 H SER A 64 5.106 0.062 7.029 1.00 0.49 H new ATOM 0 HA SER A 64 7.897 0.962 6.949 1.00 0.55 H new ATOM 0 HB2 SER A 64 6.512 2.229 8.702 1.00 0.63 H new ATOM 0 HB3 SER A 64 6.336 0.698 9.537 1.00 0.63 H new ATOM 0 HG SER A 64 8.163 1.908 10.298 1.00 1.33 H new ATOM 1054 N GLY A 65 8.672 -1.192 7.996 1.00 0.71 N ATOM 1055 CA GLY A 65 9.143 -2.539 8.252 1.00 0.78 C ATOM 1056 C GLY A 65 10.079 -3.037 7.168 1.00 0.72 C ATOM 1057 O GLY A 65 10.653 -4.120 7.282 1.00 0.90 O ATOM 0 H GLY A 65 9.404 -0.481 7.996 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.657 -2.565 9.213 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.289 -3.212 8.329 1.00 0.78 H new ATOM 1061 N LEU A 66 10.231 -2.244 6.110 1.00 0.64 N ATOM 1062 CA LEU A 66 11.091 -2.597 4.998 1.00 0.65 C ATOM 1063 C LEU A 66 12.544 -2.711 5.451 1.00 0.59 C ATOM 1064 O LEU A 66 12.846 -2.592 6.639 1.00 0.65 O ATOM 1065 CB LEU A 66 10.955 -1.535 3.900 1.00 0.74 C ATOM 1066 CG LEU A 66 9.568 -1.402 3.229 1.00 0.89 C ATOM 1067 CD1 LEU A 66 8.445 -2.016 4.058 1.00 1.47 C ATOM 1068 CD2 LEU A 66 9.260 0.061 2.941 1.00 0.89 C ATOM 0 H LEU A 66 9.761 -1.345 6.005 1.00 0.64 H new ATOM 0 HA LEU A 66 10.787 -3.567 4.606 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.220 -0.568 4.327 1.00 0.74 H new ATOM 0 HB3 LEU A 66 11.689 -1.752 3.124 1.00 0.74 H new ATOM 0 HG LEU A 66 9.618 -1.962 2.295 1.00 0.89 H new ATOM 0 HD11 LEU A 66 7.497 -1.891 3.535 1.00 1.47 H new ATOM 0 HD12 LEU A 66 8.641 -3.078 4.206 1.00 1.47 H new ATOM 0 HD13 LEU A 66 8.394 -1.518 5.026 1.00 1.47 H new ATOM 0 HD21 LEU A 66 8.281 0.141 2.469 1.00 0.89 H new ATOM 0 HD22 LEU A 66 9.259 0.623 3.875 1.00 0.89 H new ATOM 0 HD23 LEU A 66 10.019 0.468 2.273 1.00 0.89 H new ATOM 1080 N THR A 67 13.439 -2.940 4.499 1.00 0.65 N ATOM 1081 CA THR A 67 14.859 -3.068 4.800 1.00 0.69 C ATOM 1082 C THR A 67 15.703 -2.581 3.627 1.00 0.72 C ATOM 1083 O THR A 67 15.475 -2.968 2.482 1.00 1.06 O ATOM 1084 CB THR A 67 15.204 -4.520 5.128 1.00 0.75 C ATOM 1085 OG1 THR A 67 14.314 -5.039 6.099 1.00 0.96 O ATOM 1086 CG2 THR A 67 16.611 -4.693 5.656 1.00 0.99 C ATOM 0 H THR A 67 13.207 -3.041 3.511 1.00 0.65 H new ATOM 0 HA THR A 67 15.082 -2.448 5.669 1.00 0.69 H new ATOM 0 HB THR A 67 15.117 -5.060 4.185 1.00 0.75 H new ATOM 0 HG1 THR A 67 14.550 -5.970 6.295 1.00 0.96 H new ATOM 0 HG21 THR A 67 16.793 -5.746 5.869 1.00 0.99 H new ATOM 0 HG22 THR A 67 17.325 -4.346 4.909 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.731 -4.112 6.570 1.00 0.99 H new ATOM 1094 N GLU A 68 16.676 -1.725 3.922 1.00 0.66 N ATOM 1095 CA GLU A 68 17.553 -1.180 2.893 1.00 0.67 C ATOM 1096 C GLU A 68 18.142 -2.291 2.029 1.00 0.60 C ATOM 1097 O GLU A 68 18.352 -3.410 2.496 1.00 0.69 O ATOM 1098 CB GLU A 68 18.675 -0.364 3.536 1.00 0.76 C ATOM 1099 CG GLU A 68 19.441 0.506 2.553 1.00 0.96 C ATOM 1100 CD GLU A 68 20.910 0.633 2.908 1.00 1.32 C ATOM 1101 OE1 GLU A 68 21.220 0.770 4.110 1.00 1.91 O ATOM 1102 OE2 GLU A 68 21.749 0.595 1.985 1.00 1.89 O ATOM 0 H GLU A 68 16.877 -1.394 4.866 1.00 0.66 H new ATOM 0 HA GLU A 68 16.959 -0.529 2.251 1.00 0.67 H new ATOM 0 HB2 GLU A 68 18.250 0.270 4.314 1.00 0.76 H new ATOM 0 HB3 GLU A 68 19.372 -1.044 4.025 1.00 0.76 H new ATOM 0 HG2 GLU A 68 19.348 0.085 1.552 1.00 0.96 H new ATOM 0 HG3 GLU A 68 18.991 1.498 2.524 1.00 0.96 H new ATOM 1109 N ASP A 69 18.404 -1.973 0.765 1.00 0.52 N ATOM 1110 CA ASP A 69 18.968 -2.942 -0.168 1.00 0.49 C ATOM 1111 C ASP A 69 17.962 -4.050 -0.473 1.00 0.44 C ATOM 1112 O ASP A 69 18.288 -5.236 -0.410 1.00 0.54 O ATOM 1113 CB ASP A 69 20.258 -3.540 0.403 1.00 0.59 C ATOM 1114 CG ASP A 69 21.501 -2.978 -0.259 1.00 1.06 C ATOM 1115 OD1 ASP A 69 21.391 -2.467 -1.393 1.00 1.87 O ATOM 1116 OD2 ASP A 69 22.585 -3.050 0.358 1.00 1.66 O ATOM 0 H ASP A 69 18.235 -1.051 0.363 1.00 0.52 H new ATOM 0 HA ASP A 69 19.201 -2.425 -1.099 1.00 0.49 H new ATOM 0 HB2 ASP A 69 20.302 -3.346 1.475 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.240 -4.622 0.276 1.00 0.59 H new ATOM 1121 N ALA A 70 16.736 -3.658 -0.802 1.00 0.40 N ATOM 1122 CA ALA A 70 15.687 -4.620 -1.113 1.00 0.40 C ATOM 1123 C ALA A 70 14.491 -3.951 -1.778 1.00 0.35 C ATOM 1124 O ALA A 70 13.982 -2.942 -1.290 1.00 0.36 O ATOM 1125 CB ALA A 70 15.240 -5.335 0.153 1.00 0.49 C ATOM 0 H ALA A 70 16.445 -2.682 -0.860 1.00 0.40 H new ATOM 0 HA ALA A 70 16.100 -5.345 -1.814 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.456 -6.052 -0.091 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.088 -5.861 0.593 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.856 -4.606 0.866 1.00 0.49 H new ATOM 1131 N ALA A 71 14.038 -4.523 -2.889 1.00 0.33 N ATOM 1132 CA ALA A 71 12.893 -3.982 -3.606 1.00 0.30 C ATOM 1133 C ALA A 71 11.607 -4.303 -2.862 1.00 0.27 C ATOM 1134 O ALA A 71 11.413 -5.428 -2.399 1.00 0.36 O ATOM 1135 CB ALA A 71 12.842 -4.531 -5.023 1.00 0.34 C ATOM 0 H ALA A 71 14.446 -5.358 -3.310 1.00 0.33 H new ATOM 0 HA ALA A 71 12.999 -2.899 -3.664 1.00 0.30 H new ATOM 0 HB1 ALA A 71 11.979 -4.115 -5.543 1.00 0.34 H new ATOM 0 HB2 ALA A 71 13.753 -4.255 -5.553 1.00 0.34 H new ATOM 0 HB3 ALA A 71 12.757 -5.617 -4.990 1.00 0.34 H new ATOM 1141 N TYR A 72 10.734 -3.312 -2.738 1.00 0.24 N ATOM 1142 CA TYR A 72 9.476 -3.505 -2.031 1.00 0.24 C ATOM 1143 C TYR A 72 8.287 -2.978 -2.827 1.00 0.21 C ATOM 1144 O TYR A 72 8.223 -1.794 -3.160 1.00 0.23 O ATOM 1145 CB TYR A 72 9.529 -2.813 -0.670 1.00 0.30 C ATOM 1146 CG TYR A 72 10.289 -3.590 0.377 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.655 -4.540 1.172 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.647 -3.375 0.571 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.354 -5.249 2.129 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.353 -4.080 1.523 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.678 -5.028 2.310 1.00 0.46 C ATOM 1152 OH TYR A 72 12.403 -5.720 3.252 1.00 0.56 O ATOM 0 H TYR A 72 10.872 -2.374 -3.114 1.00 0.24 H new ATOM 0 HA TYR A 72 9.339 -4.578 -1.896 1.00 0.24 H new ATOM 0 HB2 TYR A 72 9.991 -1.833 -0.789 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.511 -2.645 -0.318 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.600 -4.726 1.038 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.160 -2.642 -0.035 1.00 0.36 H new ATOM 0 HE1 TYR A 72 9.843 -5.982 2.735 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.410 -3.906 1.662 1.00 0.42 H new ATOM 0 HH TYR A 72 13.331 -5.809 2.950 1.00 0.56 H new ATOM 1162 N GLU A 73 7.338 -3.866 -3.108 1.00 0.21 N ATOM 1163 CA GLU A 73 6.131 -3.492 -3.842 1.00 0.21 C ATOM 1164 C GLU A 73 5.011 -3.230 -2.846 1.00 0.23 C ATOM 1165 O GLU A 73 4.868 -3.974 -1.874 1.00 0.32 O ATOM 1166 CB GLU A 73 5.719 -4.602 -4.811 1.00 0.25 C ATOM 1167 CG GLU A 73 6.744 -4.875 -5.896 1.00 0.65 C ATOM 1168 CD GLU A 73 6.141 -4.861 -7.287 1.00 0.68 C ATOM 1169 OE1 GLU A 73 5.300 -5.737 -7.578 1.00 1.32 O ATOM 1170 OE2 GLU A 73 6.507 -3.973 -8.085 1.00 1.50 O ATOM 0 H GLU A 73 7.380 -4.849 -2.839 1.00 0.21 H new ATOM 0 HA GLU A 73 6.330 -2.592 -4.424 1.00 0.21 H new ATOM 0 HB2 GLU A 73 5.546 -5.519 -4.247 1.00 0.25 H new ATOM 0 HB3 GLU A 73 4.772 -4.332 -5.278 1.00 0.25 H new ATOM 0 HG2 GLU A 73 7.535 -4.127 -5.840 1.00 0.65 H new ATOM 0 HG3 GLU A 73 7.209 -5.844 -5.716 1.00 0.65 H new ATOM 1177 N PHE A 74 4.225 -2.178 -3.057 1.00 0.22 N ATOM 1178 CA PHE A 74 3.143 -1.887 -2.099 1.00 0.28 C ATOM 1179 C PHE A 74 1.748 -1.847 -2.716 1.00 0.25 C ATOM 1180 O PHE A 74 1.380 -0.886 -3.390 1.00 0.30 O ATOM 1181 CB PHE A 74 3.381 -0.574 -1.339 1.00 0.39 C ATOM 1182 CG PHE A 74 4.794 -0.073 -1.370 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.802 -0.765 -0.727 1.00 0.42 C ATOM 1184 CD2 PHE A 74 5.106 1.093 -2.043 1.00 0.52 C ATOM 1185 CE1 PHE A 74 7.104 -0.300 -0.754 1.00 0.49 C ATOM 1186 CE2 PHE A 74 6.402 1.565 -2.076 1.00 0.60 C ATOM 1187 CZ PHE A 74 7.404 0.867 -1.430 1.00 0.53 C ATOM 0 H PHE A 74 4.303 -1.533 -3.844 1.00 0.22 H new ATOM 0 HA PHE A 74 3.174 -2.730 -1.409 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.730 0.194 -1.757 1.00 0.39 H new ATOM 0 HB3 PHE A 74 3.083 -0.714 -0.300 1.00 0.39 H new ATOM 0 HD1 PHE A 74 5.571 -1.678 -0.198 1.00 0.42 H new ATOM 0 HD2 PHE A 74 4.326 1.642 -2.549 1.00 0.52 H new ATOM 0 HE1 PHE A 74 7.885 -0.848 -0.248 1.00 0.49 H new ATOM 0 HE2 PHE A 74 6.633 2.478 -2.605 1.00 0.60 H new ATOM 0 HZ PHE A 74 8.420 1.233 -1.453 1.00 0.53 H new ATOM 1197 N ARG A 75 0.971 -2.892 -2.428 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.410 -3.014 -2.893 1.00 0.34 C ATOM 1199 C ARG A 75 -1.352 -2.724 -1.728 1.00 0.31 C ATOM 1200 O ARG A 75 -1.052 -3.089 -0.596 1.00 0.45 O ATOM 1201 CB ARG A 75 -0.662 -4.432 -3.418 1.00 0.46 C ATOM 1202 CG ARG A 75 -2.059 -4.664 -3.965 1.00 0.94 C ATOM 1203 CD ARG A 75 -2.042 -4.998 -5.451 1.00 1.08 C ATOM 1204 NE ARG A 75 -1.256 -6.203 -5.766 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.459 -6.954 -6.848 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.415 -6.628 -7.709 1.00 1.87 N ATOM 1207 NH2 ARG A 75 -0.711 -8.027 -7.073 1.00 2.11 N ATOM 0 H ARG A 75 1.284 -3.681 -1.863 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.588 -2.303 -3.700 1.00 0.34 H new ATOM 0 HB2 ARG A 75 0.062 -4.649 -4.203 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.479 -5.142 -2.611 1.00 0.46 H new ATOM 0 HG2 ARG A 75 -2.533 -5.478 -3.416 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -2.665 -3.773 -3.801 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -3.066 -5.139 -5.797 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -1.633 -4.151 -6.002 1.00 1.08 H new ATOM 0 HE ARG A 75 -0.516 -6.478 -5.121 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.993 -5.804 -7.542 1.00 1.87 H new ATOM 0 HH12 ARG A 75 -2.572 -7.201 -8.538 1.00 1.87 H new ATOM 0 HH21 ARG A 75 0.026 -8.282 -6.415 1.00 2.11 H new ATOM 0 HH22 ARG A 75 -0.873 -8.597 -7.904 1.00 2.11 H new ATOM 1221 N VAL A 76 -2.482 -2.073 -1.983 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.414 -1.774 -0.896 1.00 0.39 C ATOM 1223 C VAL A 76 -4.758 -2.478 -1.084 1.00 0.31 C ATOM 1224 O VAL A 76 -5.325 -2.502 -2.175 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.607 -0.233 -0.682 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -3.384 0.545 -1.966 1.00 0.54 C ATOM 1227 CG2 VAL A 76 -4.969 0.118 -0.079 1.00 0.47 C ATOM 0 H VAL A 76 -2.772 -1.749 -2.906 1.00 0.32 H new ATOM 0 HA VAL A 76 -2.960 -2.170 0.012 1.00 0.39 H new ATOM 0 HB VAL A 76 -2.846 0.063 0.040 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -3.527 1.609 -1.776 1.00 0.54 H new ATOM 0 HG12 VAL A 76 -2.369 0.373 -2.324 1.00 0.54 H new ATOM 0 HG13 VAL A 76 -4.096 0.212 -2.721 1.00 0.54 H new ATOM 0 HG21 VAL A 76 -5.044 1.198 0.046 1.00 0.47 H new ATOM 0 HG22 VAL A 76 -5.761 -0.226 -0.744 1.00 0.47 H new ATOM 0 HG23 VAL A 76 -5.073 -0.367 0.891 1.00 0.47 H new ATOM 1237 N ILE A 77 -5.254 -3.037 0.012 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.521 -3.735 0.036 1.00 0.31 C ATOM 1239 C ILE A 77 -7.468 -2.991 0.981 1.00 0.30 C ATOM 1240 O ILE A 77 -7.016 -2.316 1.906 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.311 -5.197 0.502 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.700 -6.031 -0.622 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.608 -5.825 0.968 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.423 -7.463 -0.222 1.00 0.42 C ATOM 0 H ILE A 77 -4.780 -3.015 0.915 1.00 0.33 H new ATOM 0 HA ILE A 77 -6.956 -3.762 -0.963 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.624 -5.178 1.348 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.375 -6.024 -1.478 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.769 -5.565 -0.946 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.422 -6.850 1.287 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -8.010 -5.252 1.804 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.327 -5.825 0.149 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.990 -7.999 -1.066 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.725 -7.478 0.615 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -6.355 -7.945 0.074 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.773 -3.102 0.754 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.736 -2.411 1.615 1.00 0.30 C ATOM 1258 C ALA A 78 -11.019 -3.209 1.778 1.00 0.34 C ATOM 1259 O ALA A 78 -11.730 -3.450 0.810 1.00 0.60 O ATOM 1260 CB ALA A 78 -10.044 -1.028 1.060 1.00 0.39 C ATOM 0 H ALA A 78 -9.185 -3.650 -0.001 1.00 0.27 H new ATOM 0 HA ALA A 78 -9.282 -2.308 2.601 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -10.761 -0.526 1.710 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -9.126 -0.442 1.012 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -10.466 -1.123 0.060 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.318 -3.614 3.010 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.527 -4.392 3.275 1.00 0.43 C ATOM 1268 C LYS A 79 -13.757 -3.523 3.526 1.00 0.59 C ATOM 1269 O LYS A 79 -14.782 -4.006 4.000 1.00 1.31 O ATOM 1270 CB LYS A 79 -12.317 -5.329 4.446 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.115 -4.615 5.773 1.00 1.07 C ATOM 1272 CD LYS A 79 -11.959 -5.598 6.921 1.00 1.50 C ATOM 1273 CE LYS A 79 -13.251 -6.353 7.188 1.00 1.71 C ATOM 1274 NZ LYS A 79 -13.142 -7.239 8.380 1.00 1.98 N ATOM 0 H LYS A 79 -10.747 -3.420 3.833 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.718 -4.969 2.370 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -13.178 -5.992 4.528 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -11.449 -5.957 4.246 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -11.231 -3.981 5.714 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -12.965 -3.960 5.967 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -11.164 -6.306 6.689 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -11.657 -5.063 7.821 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -14.063 -5.641 7.338 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -13.509 -6.951 6.314 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -14.044 -7.735 8.527 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -12.385 -7.935 8.227 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -12.921 -6.666 9.219 1.00 1.98 H new ATOM 1288 N ASN A 80 -13.644 -2.261 3.180 1.00 0.65 N ATOM 1289 CA ASN A 80 -14.731 -1.294 3.323 1.00 0.70 C ATOM 1290 C ASN A 80 -15.480 -1.391 4.649 1.00 0.87 C ATOM 1291 O ASN A 80 -15.175 -2.208 5.516 1.00 1.55 O ATOM 1292 CB ASN A 80 -15.710 -1.457 2.167 1.00 0.67 C ATOM 1293 CG ASN A 80 -15.192 -0.821 0.891 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -15.815 0.084 0.335 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -14.041 -1.289 0.423 1.00 2.05 N ATOM 0 H ASN A 80 -12.791 -1.864 2.787 1.00 0.65 H new ATOM 0 HA ASN A 80 -14.269 -0.307 3.308 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -15.895 -2.517 1.995 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -16.666 -1.006 2.435 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -13.640 -0.897 -0.429 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -13.558 -2.040 0.916 1.00 2.05 H new ATOM 1302 N ALA A 81 -16.468 -0.513 4.776 1.00 0.76 N ATOM 1303 CA ALA A 81 -17.312 -0.421 5.963 1.00 0.82 C ATOM 1304 C ALA A 81 -18.021 -1.736 6.275 1.00 0.88 C ATOM 1305 O ALA A 81 -17.995 -2.209 7.411 1.00 1.08 O ATOM 1306 CB ALA A 81 -18.346 0.682 5.767 1.00 0.83 C ATOM 0 H ALA A 81 -16.709 0.162 4.051 1.00 0.76 H new ATOM 0 HA ALA A 81 -16.665 -0.190 6.809 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -18.977 0.751 6.653 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -17.838 1.633 5.608 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -18.964 0.451 4.899 1.00 0.83 H new ATOM 1312 N ALA A 82 -18.672 -2.311 5.269 1.00 0.81 N ATOM 1313 CA ALA A 82 -19.407 -3.560 5.447 1.00 0.90 C ATOM 1314 C ALA A 82 -18.535 -4.792 5.214 1.00 0.88 C ATOM 1315 O ALA A 82 -19.013 -5.810 4.712 1.00 1.06 O ATOM 1316 CB ALA A 82 -20.615 -3.589 4.524 1.00 0.94 C ATOM 0 H ALA A 82 -18.706 -1.933 4.322 1.00 0.81 H new ATOM 0 HA ALA A 82 -19.737 -3.595 6.485 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.157 -4.524 4.664 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.271 -2.751 4.757 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.284 -3.513 3.488 1.00 0.94 H new ATOM 1322 N GLY A 83 -17.264 -4.707 5.587 1.00 0.82 N ATOM 1323 CA GLY A 83 -16.368 -5.833 5.412 1.00 0.86 C ATOM 1324 C GLY A 83 -16.244 -6.274 3.966 1.00 0.78 C ATOM 1325 O GLY A 83 -15.791 -7.386 3.691 1.00 0.93 O ATOM 0 H GLY A 83 -16.839 -3.880 6.007 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -15.381 -5.567 5.791 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -16.724 -6.670 6.012 1.00 0.86 H new ATOM 1329 N ALA A 84 -16.631 -5.403 3.038 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.536 -5.722 1.619 1.00 0.78 C ATOM 1331 C ALA A 84 -15.071 -5.776 1.214 1.00 0.76 C ATOM 1332 O ALA A 84 -14.462 -4.748 0.920 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.293 -4.693 0.788 1.00 0.92 C ATOM 0 H ALA A 84 -17.010 -4.478 3.242 1.00 0.72 H new ATOM 0 HA ALA A 84 -16.991 -6.695 1.435 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.211 -4.947 -0.269 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.343 -4.691 1.080 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -16.867 -3.704 0.957 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.500 -6.975 1.227 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.096 -7.144 0.889 1.00 0.40 C ATOM 1341 C ILE A 85 -12.762 -6.705 -0.525 1.00 0.38 C ATOM 1342 O ILE A 85 -13.090 -7.377 -1.503 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.606 -8.593 1.099 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -11.075 -8.631 1.051 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -13.205 -9.528 0.056 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.430 -8.571 2.418 1.00 0.79 C ATOM 0 H ILE A 85 -14.986 -7.839 1.467 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.569 -6.488 1.582 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.938 -8.938 2.078 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.757 -9.544 0.547 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.717 -7.794 0.451 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -12.844 -10.542 0.226 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -14.292 -9.512 0.134 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.908 -9.200 -0.940 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.346 -8.602 2.310 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.719 -7.646 2.916 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.760 -9.422 3.014 1.00 0.79 H new ATOM 1358 N SER A 86 -12.074 -5.579 -0.611 1.00 0.39 N ATOM 1359 CA SER A 86 -11.643 -5.043 -1.894 1.00 0.45 C ATOM 1360 C SER A 86 -10.294 -5.666 -2.235 1.00 0.44 C ATOM 1361 O SER A 86 -9.290 -5.350 -1.589 1.00 0.43 O ATOM 1362 CB SER A 86 -11.522 -3.519 -1.847 1.00 0.54 C ATOM 1363 OG SER A 86 -10.290 -3.122 -1.272 1.00 0.59 O ATOM 0 H SER A 86 -11.801 -5.016 0.194 1.00 0.39 H new ATOM 0 HA SER A 86 -12.383 -5.286 -2.657 1.00 0.45 H new ATOM 0 HB2 SER A 86 -11.603 -3.114 -2.856 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.347 -3.103 -1.269 1.00 0.54 H new ATOM 0 HG SER A 86 -9.554 -3.592 -1.718 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.252 -6.579 -3.234 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.026 -7.271 -3.634 1.00 0.61 C ATOM 1371 C PRO A 87 -7.796 -6.368 -3.688 1.00 0.54 C ATOM 1372 O PRO A 87 -7.896 -5.149 -3.553 1.00 0.63 O ATOM 1373 CB PRO A 87 -9.346 -7.836 -5.026 1.00 0.85 C ATOM 1374 CG PRO A 87 -10.745 -7.414 -5.343 1.00 0.74 C ATOM 1375 CD PRO A 87 -11.393 -7.029 -4.043 1.00 0.59 C ATOM 0 HA PRO A 87 -8.763 -8.034 -2.902 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -8.647 -7.454 -5.770 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.257 -8.922 -5.034 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -10.746 -6.574 -6.038 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.293 -8.225 -5.822 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.131 -6.238 -4.177 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -11.909 -7.872 -3.582 1.00 0.59 H new ATOM 1383 N PRO A 88 -6.609 -6.974 -3.887 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.341 -6.239 -3.959 1.00 0.56 C ATOM 1385 C PRO A 88 -5.391 -5.090 -4.954 1.00 0.48 C ATOM 1386 O PRO A 88 -5.780 -5.272 -6.108 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.340 -7.298 -4.428 1.00 0.69 C ATOM 1388 CG PRO A 88 -4.923 -8.595 -3.987 1.00 0.76 C ATOM 1389 CD PRO A 88 -6.414 -8.427 -4.058 1.00 0.72 C ATOM 0 HA PRO A 88 -5.086 -5.781 -3.003 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -4.212 -7.269 -5.510 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -3.357 -7.136 -3.986 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -4.592 -9.410 -4.630 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -4.606 -8.840 -2.973 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -6.812 -8.775 -5.011 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -6.919 -8.994 -3.276 1.00 0.72 H new ATOM 1397 N SER A 89 -4.990 -3.906 -4.507 1.00 0.43 N ATOM 1398 CA SER A 89 -4.988 -2.735 -5.377 1.00 0.42 C ATOM 1399 C SER A 89 -3.583 -2.467 -5.905 1.00 0.35 C ATOM 1400 O SER A 89 -2.729 -1.997 -5.153 1.00 0.51 O ATOM 1401 CB SER A 89 -5.507 -1.503 -4.630 1.00 0.56 C ATOM 1402 OG SER A 89 -6.750 -1.769 -4.002 1.00 1.28 O ATOM 0 H SER A 89 -4.665 -3.731 -3.556 1.00 0.43 H new ATOM 0 HA SER A 89 -5.651 -2.937 -6.218 1.00 0.42 H new ATOM 0 HB2 SER A 89 -4.777 -1.194 -3.881 1.00 0.56 H new ATOM 0 HB3 SER A 89 -5.619 -0.673 -5.327 1.00 0.56 H new ATOM 0 HG SER A 89 -6.597 -2.265 -3.171 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.376 -2.782 -7.201 1.00 0.38 N ATOM 1409 CA GLU A 90 -2.089 -2.609 -7.919 1.00 0.37 C ATOM 1410 C GLU A 90 -0.966 -2.069 -7.030 1.00 0.34 C ATOM 1411 O GLU A 90 -1.064 -0.961 -6.507 1.00 0.44 O ATOM 1412 CB GLU A 90 -2.281 -1.679 -9.118 1.00 0.49 C ATOM 1413 CG GLU A 90 -1.873 -2.307 -10.440 1.00 0.90 C ATOM 1414 CD GLU A 90 -2.890 -2.068 -11.539 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -2.820 -1.005 -12.189 1.00 1.76 O ATOM 1416 OE2 GLU A 90 -3.754 -2.944 -11.748 1.00 1.77 O ATOM 0 H GLU A 90 -4.111 -3.171 -7.792 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.784 -3.602 -8.249 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -3.328 -1.381 -9.173 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.699 -0.771 -8.961 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -0.909 -1.902 -10.748 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -1.738 -3.380 -10.302 1.00 0.90 H new ATOM 1423 N PRO A 91 0.117 -2.838 -6.837 1.00 0.30 N ATOM 1424 CA PRO A 91 1.227 -2.406 -5.992 1.00 0.29 C ATOM 1425 C PRO A 91 2.032 -1.256 -6.573 1.00 0.31 C ATOM 1426 O PRO A 91 2.014 -1.011 -7.779 1.00 0.55 O ATOM 1427 CB PRO A 91 2.132 -3.633 -5.886 1.00 0.36 C ATOM 1428 CG PRO A 91 1.373 -4.771 -6.476 1.00 0.36 C ATOM 1429 CD PRO A 91 0.349 -4.177 -7.404 1.00 0.39 C ATOM 0 HA PRO A 91 0.841 -2.041 -5.040 1.00 0.29 H new ATOM 0 HB2 PRO A 91 3.068 -3.472 -6.421 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.390 -3.836 -4.847 1.00 0.36 H new ATOM 0 HG2 PRO A 91 2.041 -5.442 -7.016 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.892 -5.360 -5.696 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.718 -4.122 -8.428 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -0.566 -4.769 -7.426 1.00 0.39 H new ATOM 1437 N SER A 92 2.767 -0.580 -5.699 1.00 0.27 N ATOM 1438 CA SER A 92 3.623 0.519 -6.108 1.00 0.31 C ATOM 1439 C SER A 92 4.968 -0.064 -6.506 1.00 0.27 C ATOM 1440 O SER A 92 5.441 -1.005 -5.858 1.00 0.24 O ATOM 1441 CB SER A 92 3.785 1.540 -4.971 1.00 0.39 C ATOM 1442 OG SER A 92 5.150 1.801 -4.681 1.00 1.23 O ATOM 0 H SER A 92 2.785 -0.777 -4.698 1.00 0.27 H new ATOM 0 HA SER A 92 3.178 1.048 -6.951 1.00 0.31 H new ATOM 0 HB2 SER A 92 3.288 2.471 -5.246 1.00 0.39 H new ATOM 0 HB3 SER A 92 3.289 1.167 -4.075 1.00 0.39 H new ATOM 0 HG SER A 92 5.394 1.368 -3.836 1.00 1.23 H new ATOM 1448 N ASP A 93 5.565 0.489 -7.568 1.00 0.33 N ATOM 1449 CA ASP A 93 6.862 0.030 -8.082 1.00 0.36 C ATOM 1450 C ASP A 93 7.769 -0.493 -6.973 1.00 0.32 C ATOM 1451 O ASP A 93 7.845 0.089 -5.895 1.00 0.56 O ATOM 1452 CB ASP A 93 7.563 1.163 -8.830 1.00 0.45 C ATOM 1453 CG ASP A 93 7.931 0.779 -10.249 1.00 0.89 C ATOM 1454 OD1 ASP A 93 8.932 0.055 -10.428 1.00 1.63 O ATOM 1455 OD2 ASP A 93 7.217 1.202 -11.182 1.00 1.55 O ATOM 0 H ASP A 93 5.165 1.265 -8.095 1.00 0.33 H new ATOM 0 HA ASP A 93 6.664 -0.796 -8.765 1.00 0.36 H new ATOM 0 HB2 ASP A 93 6.913 2.038 -8.850 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.465 1.449 -8.288 1.00 0.45 H new ATOM 1460 N ALA A 94 8.446 -1.598 -7.245 1.00 0.33 N ATOM 1461 CA ALA A 94 9.339 -2.201 -6.267 1.00 0.28 C ATOM 1462 C ALA A 94 10.549 -1.310 -6.007 1.00 0.29 C ATOM 1463 O ALA A 94 11.491 -1.285 -6.799 1.00 0.41 O ATOM 1464 CB ALA A 94 9.795 -3.568 -6.749 1.00 0.34 C ATOM 0 H ALA A 94 8.394 -2.095 -8.134 1.00 0.33 H new ATOM 0 HA ALA A 94 8.791 -2.314 -5.332 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.463 -4.010 -6.010 1.00 0.34 H new ATOM 0 HB2 ALA A 94 8.927 -4.213 -6.886 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.322 -3.462 -7.697 1.00 0.34 H new ATOM 1470 N ILE A 95 10.526 -0.582 -4.897 1.00 0.25 N ATOM 1471 CA ILE A 95 11.630 0.301 -4.550 1.00 0.28 C ATOM 1472 C ILE A 95 12.738 -0.463 -3.833 1.00 0.26 C ATOM 1473 O ILE A 95 12.547 -0.962 -2.724 1.00 0.25 O ATOM 1474 CB ILE A 95 11.158 1.481 -3.673 1.00 0.33 C ATOM 1475 CG1 ILE A 95 10.206 2.364 -4.469 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.339 2.304 -3.172 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.758 1.994 -4.295 1.00 0.44 C ATOM 0 H ILE A 95 9.758 -0.586 -4.225 1.00 0.25 H new ATOM 0 HA ILE A 95 12.024 0.702 -5.484 1.00 0.28 H new ATOM 0 HB ILE A 95 10.639 1.076 -2.804 1.00 0.33 H new ATOM 0 HG12 ILE A 95 10.347 3.402 -4.166 1.00 0.41 H new ATOM 0 HG13 ILE A 95 10.464 2.303 -5.526 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.974 3.127 -2.558 1.00 0.41 H new ATOM 0 HG22 ILE A 95 12.997 1.671 -2.577 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.891 2.703 -4.023 1.00 0.41 H new ATOM 0 HD11 ILE A 95 8.137 2.664 -4.890 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.603 0.967 -4.625 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.483 2.083 -3.244 1.00 0.44 H new ATOM 1489 N THR A 96 13.898 -0.540 -4.475 1.00 0.29 N ATOM 1490 CA THR A 96 15.044 -1.231 -3.900 1.00 0.32 C ATOM 1491 C THR A 96 15.330 -0.717 -2.494 1.00 0.32 C ATOM 1492 O THR A 96 15.946 -1.410 -1.685 1.00 0.38 O ATOM 1493 CB THR A 96 16.279 -1.034 -4.782 1.00 0.37 C ATOM 1494 OG1 THR A 96 15.989 -1.348 -6.133 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.458 -1.882 -4.358 1.00 0.43 C ATOM 0 H THR A 96 14.069 -0.132 -5.394 1.00 0.29 H new ATOM 0 HA THR A 96 14.809 -2.294 -3.845 1.00 0.32 H new ATOM 0 HB THR A 96 16.547 0.017 -4.670 1.00 0.37 H new ATOM 0 HG1 THR A 96 16.791 -1.214 -6.680 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.300 -1.694 -5.025 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.740 -1.628 -3.336 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.184 -2.936 -4.407 1.00 0.43 H new ATOM 1503 N CYS A 97 14.889 0.509 -2.208 1.00 0.32 N ATOM 1504 CA CYS A 97 15.112 1.114 -0.900 1.00 0.36 C ATOM 1505 C CYS A 97 16.583 0.997 -0.519 1.00 0.43 C ATOM 1506 O CYS A 97 16.987 0.066 0.176 1.00 0.64 O ATOM 1507 CB CYS A 97 14.233 0.451 0.161 1.00 0.38 C ATOM 1508 SG CYS A 97 12.559 1.130 0.262 1.00 1.10 S ATOM 0 H CYS A 97 14.377 1.099 -2.864 1.00 0.32 H new ATOM 0 HA CYS A 97 14.841 2.169 -0.954 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.169 -0.616 -0.051 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.715 0.554 1.133 1.00 0.38 H new ATOM 0 HG CYS A 97 12.496 1.986 1.239 1.00 1.10 H new ATOM 1514 N ARG A 98 17.377 1.942 -0.997 1.00 0.53 N ATOM 1515 CA ARG A 98 18.811 1.946 -0.726 1.00 0.63 C ATOM 1516 C ARG A 98 19.277 3.324 -0.277 1.00 0.80 C ATOM 1517 O ARG A 98 19.323 3.617 0.917 1.00 1.04 O ATOM 1518 CB ARG A 98 19.613 1.488 -1.961 1.00 0.68 C ATOM 1519 CG ARG A 98 18.852 1.545 -3.286 1.00 0.74 C ATOM 1520 CD ARG A 98 19.649 2.261 -4.367 1.00 0.92 C ATOM 1521 NE ARG A 98 20.326 1.327 -5.265 1.00 1.64 N ATOM 1522 CZ ARG A 98 21.566 0.874 -5.084 1.00 2.31 C ATOM 1523 NH1 ARG A 98 22.282 1.260 -4.035 1.00 3.00 N ATOM 1524 NH2 ARG A 98 22.092 0.028 -5.959 1.00 2.68 N ATOM 0 H ARG A 98 17.055 2.718 -1.575 1.00 0.53 H new ATOM 0 HA ARG A 98 18.994 1.238 0.083 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.506 2.108 -2.046 1.00 0.68 H new ATOM 0 HB3 ARG A 98 19.950 0.464 -1.797 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.621 0.532 -3.616 1.00 0.74 H new ATOM 0 HG3 ARG A 98 17.901 2.056 -3.137 1.00 0.74 H new ATOM 0 HD2 ARG A 98 18.981 2.899 -4.946 1.00 0.92 H new ATOM 0 HD3 ARG A 98 20.387 2.913 -3.900 1.00 0.92 H new ATOM 0 HE ARG A 98 19.815 1.000 -6.085 1.00 1.64 H new ATOM 0 HH11 ARG A 98 21.884 1.910 -3.357 1.00 3.00 H new ATOM 0 HH12 ARG A 98 23.230 0.907 -3.907 1.00 3.00 H new ATOM 0 HH21 ARG A 98 21.548 -0.274 -6.767 1.00 2.68 H new ATOM 0 HH22 ARG A 98 23.041 -0.321 -5.824 1.00 2.68 H new ATOM 1538 N ASP A 99 19.617 4.167 -1.240 1.00 0.92 N ATOM 1539 CA ASP A 99 20.075 5.518 -0.946 1.00 1.20 C ATOM 1540 C ASP A 99 18.908 6.501 -0.981 1.00 1.03 C ATOM 1541 O ASP A 99 19.103 7.702 -1.164 1.00 1.20 O ATOM 1542 CB ASP A 99 21.143 5.944 -1.955 1.00 1.61 C ATOM 1543 CG ASP A 99 20.560 6.279 -3.315 1.00 1.71 C ATOM 1544 OD1 ASP A 99 19.332 6.133 -3.487 1.00 2.08 O ATOM 1545 OD2 ASP A 99 21.334 6.686 -4.206 1.00 2.14 O ATOM 0 H ASP A 99 19.585 3.940 -2.234 1.00 0.92 H new ATOM 0 HA ASP A 99 20.506 5.524 0.055 1.00 1.20 H new ATOM 0 HB2 ASP A 99 21.677 6.812 -1.569 1.00 1.61 H new ATOM 0 HB3 ASP A 99 21.874 5.143 -2.064 1.00 1.61 H new ATOM 1550 N ASP A 100 17.690 5.982 -0.809 1.00 0.85 N ATOM 1551 CA ASP A 100 16.484 6.803 -0.822 1.00 0.92 C ATOM 1552 C ASP A 100 16.519 7.828 -1.943 1.00 1.22 C ATOM 1553 O ASP A 100 15.946 8.911 -1.836 1.00 1.38 O ATOM 1554 CB ASP A 100 16.298 7.497 0.521 1.00 0.87 C ATOM 1555 CG ASP A 100 14.866 7.456 1.017 1.00 1.32 C ATOM 1556 OD1 ASP A 100 14.494 6.463 1.676 1.00 2.03 O ATOM 1557 OD2 ASP A 100 14.116 8.418 0.747 1.00 2.06 O ATOM 0 H ASP A 100 17.516 4.988 -0.658 1.00 0.85 H new ATOM 0 HA ASP A 100 15.636 6.142 -1.000 1.00 0.92 H new ATOM 0 HB2 ASP A 100 16.946 7.026 1.260 1.00 0.87 H new ATOM 0 HB3 ASP A 100 16.617 8.536 0.434 1.00 0.87 H new ATOM 1562 N VAL A 101 17.198 7.466 -3.013 1.00 1.43 N ATOM 1563 CA VAL A 101 17.328 8.332 -4.168 1.00 1.90 C ATOM 1564 C VAL A 101 17.821 7.541 -5.381 1.00 2.23 C ATOM 1565 O VAL A 101 18.432 8.102 -6.291 1.00 2.80 O ATOM 1566 CB VAL A 101 18.299 9.482 -3.860 1.00 2.20 C ATOM 1567 CG1 VAL A 101 19.657 8.924 -3.477 1.00 2.22 C ATOM 1568 CG2 VAL A 101 18.405 10.446 -5.031 1.00 2.67 C ATOM 0 H VAL A 101 17.673 6.568 -3.107 1.00 1.43 H new ATOM 0 HA VAL A 101 16.347 8.747 -4.400 1.00 1.90 H new ATOM 0 HB VAL A 101 17.908 10.049 -3.015 1.00 2.20 H new ATOM 0 HG11 VAL A 101 20.340 9.745 -3.260 1.00 2.22 H new ATOM 0 HG12 VAL A 101 19.555 8.294 -2.594 1.00 2.22 H new ATOM 0 HG13 VAL A 101 20.053 8.331 -4.302 1.00 2.22 H new ATOM 0 HG21 VAL A 101 19.100 11.248 -4.781 1.00 2.67 H new ATOM 0 HG22 VAL A 101 18.768 9.913 -5.910 1.00 2.67 H new ATOM 0 HG23 VAL A 101 17.423 10.870 -5.244 1.00 2.67 H new ATOM 1578 N GLU A 102 17.536 6.230 -5.379 1.00 1.99 N ATOM 1579 CA GLU A 102 17.920 5.320 -6.461 1.00 2.40 C ATOM 1580 C GLU A 102 19.196 5.750 -7.184 1.00 2.00 C ATOM 1581 O GLU A 102 19.146 6.251 -8.307 1.00 2.49 O ATOM 1582 CB GLU A 102 16.775 5.225 -7.454 1.00 3.22 C ATOM 1583 CG GLU A 102 15.856 4.040 -7.211 1.00 3.87 C ATOM 1584 CD GLU A 102 16.617 2.743 -7.017 1.00 4.18 C ATOM 1585 OE1 GLU A 102 17.458 2.681 -6.095 1.00 4.47 O ATOM 1586 OE2 GLU A 102 16.372 1.790 -7.785 1.00 4.58 O ATOM 0 H GLU A 102 17.030 5.772 -4.621 1.00 1.99 H new ATOM 0 HA GLU A 102 18.129 4.349 -6.012 1.00 2.40 H new ATOM 0 HB2 GLU A 102 16.189 6.143 -7.410 1.00 3.22 H new ATOM 0 HB3 GLU A 102 17.184 5.156 -8.462 1.00 3.22 H new ATOM 0 HG2 GLU A 102 15.245 4.234 -6.330 1.00 3.87 H new ATOM 0 HG3 GLU A 102 15.174 3.934 -8.055 1.00 3.87 H new ATOM 1593 N ALA A 103 20.334 5.551 -6.534 1.00 1.84 N ATOM 1594 CA ALA A 103 21.619 5.916 -7.115 1.00 2.56 C ATOM 1595 C ALA A 103 22.738 5.039 -6.567 1.00 3.21 C ATOM 1596 O ALA A 103 23.431 5.485 -5.628 1.00 3.72 O ATOM 1597 CB ALA A 103 21.919 7.384 -6.855 1.00 3.26 C ATOM 1598 OXT ALA A 103 22.914 3.915 -7.082 1.00 3.79 O ATOM 0 H ALA A 103 20.394 5.138 -5.603 1.00 1.84 H new ATOM 0 HA ALA A 103 21.562 5.755 -8.191 1.00 2.56 H new ATOM 0 HB1 ALA A 103 22.882 7.642 -7.295 1.00 3.26 H new ATOM 0 HB2 ALA A 103 21.139 8.000 -7.303 1.00 3.26 H new ATOM 0 HB3 ALA A 103 21.951 7.564 -5.780 1.00 3.26 H new TER 1604 ALA A 103