USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 747 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 78 THR OG1 : rot 21:sc= -1.16 USER MOD Set 1.2: A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 75 THR OG1 : rot 180:sc= 0.0189 USER MOD Set 2.2: A 79 TYR OH : rot 39:sc= 0.554 USER MOD Set 3.1: A 40 MET CE :methyl 138:sc= -0.259 (180deg=-2.52!) USER MOD Set 3.2: A 48 HIS : no HD1:sc= -0.413 X(o=-0.67,f=-1.1) USER MOD Set 4.1: A 24 HIS : no HD1:sc= -2.49 K(o=-2.5,f=-4.2!) USER MOD Set 4.2: A 65 THR OG1 : rot -63:sc= 0.0263 USER MOD Single : A 1 HIS :FLIP no HD1:sc= -2.03 F(o=-4!,f=-2) USER MOD Single : A 1 HIS N :NH3+ -112:sc= 0.0952 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= -0.615 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0613 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.247 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -4.45! C(o=-4.4!,f=-4.7!) USER MOD Single : A 31 THR OG1 : rot -58:sc= 0.86 USER MOD Single : A 32 GLN : amide:sc= -1.13! X(o=-1.1!,f=-0.79) USER MOD Single : A 34 SER OG : rot 57:sc= -1.3! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -70:sc= 1.15 USER MOD Single : A 43 MET CE :methyl -176:sc= 0 (180deg=-0.0136) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 165:sc= -4.13 (180deg=-4.97!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -107:sc= 0.179 USER MOD Single : A 98 THR OG1 : rot 18:sc= 0.182 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 16.188 5.374 -4.768 1.00 6.39 N ATOM 2 CA HIS A 1 15.214 5.819 -5.751 1.00 5.54 C ATOM 3 C HIS A 1 14.061 6.535 -5.042 1.00 4.03 C ATOM 4 O HIS A 1 13.843 6.335 -3.848 1.00 3.94 O ATOM 5 CB HIS A 1 14.744 4.651 -6.618 1.00 6.80 C ATOM 6 CG HIS A 1 13.731 3.755 -5.945 1.00 7.88 C ATOM 7 ND1 HIS A 1 12.586 4.055 -5.268 1.00 9.36 N flip ATOM 8 CD2 HIS A 1 13.845 2.376 -5.926 1.00 8.36 C flip ATOM 9 CE1 HIS A 1 12.031 2.922 -4.858 1.00 10.60 C flip ATOM 10 NE2 HIS A 1 12.811 1.879 -5.265 1.00 10.04 N flip ATOM 0 H1 HIS A 1 17.068 5.916 -4.882 1.00 6.39 H new ATOM 0 H2 HIS A 1 15.809 5.525 -3.811 1.00 6.39 H new ATOM 0 H3 HIS A 1 16.384 4.362 -4.907 1.00 6.39 H new ATOM 0 HA HIS A 1 15.677 6.534 -6.430 1.00 5.54 H new ATOM 0 HB2 HIS A 1 14.311 5.045 -7.537 1.00 6.80 H new ATOM 0 HB3 HIS A 1 15.609 4.053 -6.904 1.00 6.80 H new ATOM 0 HD2 HIS A 1 14.643 1.802 -6.374 1.00 8.36 H new ATOM 0 HE1 HIS A 1 11.113 2.839 -4.295 1.00 10.60 H new ATOM 0 HE2 HIS A 1 12.629 0.891 -5.091 1.00 10.04 H new ATOM 20 N PRO A 2 13.337 7.374 -5.828 1.00 4.07 N ATOM 21 CA PRO A 2 12.211 8.119 -5.290 1.00 3.87 C ATOM 22 C PRO A 2 10.999 7.209 -5.084 1.00 3.13 C ATOM 23 O PRO A 2 10.457 7.131 -3.983 1.00 3.04 O ATOM 24 CB PRO A 2 11.957 9.229 -6.297 1.00 5.59 C ATOM 25 CG PRO A 2 12.639 8.790 -7.583 1.00 6.42 C ATOM 26 CD PRO A 2 13.567 7.635 -7.247 1.00 5.63 C ATOM 0 HA PRO A 2 12.414 8.534 -4.303 1.00 3.87 H new ATOM 0 HB2 PRO A 2 10.889 9.378 -6.453 1.00 5.59 H new ATOM 0 HB3 PRO A 2 12.363 10.177 -5.944 1.00 5.59 H new ATOM 0 HG2 PRO A 2 11.899 8.483 -8.322 1.00 6.42 H new ATOM 0 HG3 PRO A 2 13.200 9.616 -8.019 1.00 6.42 H new ATOM 0 HD2 PRO A 2 13.342 6.757 -7.853 1.00 5.63 H new ATOM 0 HD3 PRO A 2 14.608 7.895 -7.438 1.00 5.63 H new ATOM 34 N LYS A 3 10.608 6.543 -6.161 1.00 2.78 N ATOM 35 CA LYS A 3 9.471 5.642 -6.112 1.00 2.21 C ATOM 36 C LYS A 3 9.814 4.352 -6.860 1.00 1.71 C ATOM 37 O LYS A 3 10.631 4.362 -7.779 1.00 1.92 O ATOM 38 CB LYS A 3 8.212 6.339 -6.633 1.00 2.63 C ATOM 39 CG LYS A 3 7.492 7.084 -5.508 1.00 2.93 C ATOM 40 CD LYS A 3 7.647 8.598 -5.666 1.00 3.06 C ATOM 41 CE LYS A 3 6.693 9.347 -4.733 1.00 4.15 C ATOM 42 NZ LYS A 3 6.572 10.763 -5.145 1.00 4.73 N ATOM 0 H LYS A 3 11.060 6.610 -7.073 1.00 2.78 H new ATOM 0 HA LYS A 3 9.250 5.364 -5.081 1.00 2.21 H new ATOM 0 HB2 LYS A 3 8.481 7.039 -7.424 1.00 2.63 H new ATOM 0 HB3 LYS A 3 7.540 5.602 -7.074 1.00 2.63 H new ATOM 0 HG2 LYS A 3 6.434 6.821 -5.511 1.00 2.93 H new ATOM 0 HG3 LYS A 3 7.895 6.772 -4.544 1.00 2.93 H new ATOM 0 HD2 LYS A 3 8.675 8.887 -5.448 1.00 3.06 H new ATOM 0 HD3 LYS A 3 7.448 8.882 -6.699 1.00 3.06 H new ATOM 0 HE2 LYS A 3 5.712 8.872 -4.749 1.00 4.15 H new ATOM 0 HE3 LYS A 3 7.058 9.290 -3.708 1.00 4.15 H new ATOM 0 HZ1 LYS A 3 5.921 11.257 -4.502 1.00 4.73 H new ATOM 0 HZ2 LYS A 3 7.507 11.217 -5.107 1.00 4.73 H new ATOM 0 HZ3 LYS A 3 6.203 10.812 -6.116 1.00 4.73 H new ATOM 56 N LEU A 4 9.172 3.272 -6.438 1.00 1.25 N ATOM 57 CA LEU A 4 9.400 1.978 -7.057 1.00 1.06 C ATOM 58 C LEU A 4 9.188 2.095 -8.569 1.00 1.07 C ATOM 59 O LEU A 4 8.792 3.149 -9.063 1.00 1.15 O ATOM 60 CB LEU A 4 8.529 0.907 -6.397 1.00 1.21 C ATOM 61 CG LEU A 4 7.027 0.997 -6.677 1.00 0.83 C ATOM 62 CD1 LEU A 4 6.585 2.452 -6.839 1.00 0.82 C ATOM 63 CD2 LEU A 4 6.644 0.144 -7.888 1.00 0.86 C ATOM 0 H LEU A 4 8.495 3.267 -5.675 1.00 1.25 H new ATOM 0 HA LEU A 4 10.431 1.659 -6.902 1.00 1.06 H new ATOM 0 HB2 LEU A 4 8.881 -0.071 -6.724 1.00 1.21 H new ATOM 0 HB3 LEU A 4 8.681 0.957 -5.319 1.00 1.21 H new ATOM 0 HG LEU A 4 6.494 0.593 -5.816 1.00 0.83 H new ATOM 0 HD11 LEU A 4 5.514 2.487 -7.037 1.00 0.82 H new ATOM 0 HD12 LEU A 4 6.803 3.003 -5.924 1.00 0.82 H new ATOM 0 HD13 LEU A 4 7.123 2.905 -7.672 1.00 0.82 H new ATOM 0 HD21 LEU A 4 5.572 0.225 -8.066 1.00 0.86 H new ATOM 0 HD22 LEU A 4 7.185 0.496 -8.766 1.00 0.86 H new ATOM 0 HD23 LEU A 4 6.902 -0.897 -7.696 1.00 0.86 H new ATOM 75 N VAL A 5 9.463 0.998 -9.260 1.00 1.02 N ATOM 76 CA VAL A 5 9.308 0.965 -10.704 1.00 1.08 C ATOM 77 C VAL A 5 7.907 1.457 -11.074 1.00 0.99 C ATOM 78 O VAL A 5 7.743 2.588 -11.528 1.00 1.12 O ATOM 79 CB VAL A 5 9.607 -0.441 -11.229 1.00 1.10 C ATOM 80 CG1 VAL A 5 8.974 -0.656 -12.606 1.00 1.40 C ATOM 81 CG2 VAL A 5 11.113 -0.702 -11.272 1.00 1.40 C ATOM 0 H VAL A 5 9.792 0.126 -8.846 1.00 1.02 H new ATOM 0 HA VAL A 5 10.023 1.635 -11.181 1.00 1.08 H new ATOM 0 HB VAL A 5 9.163 -1.158 -10.539 1.00 1.10 H new ATOM 0 HG11 VAL A 5 9.201 -1.663 -12.958 1.00 1.40 H new ATOM 0 HG12 VAL A 5 7.894 -0.532 -12.533 1.00 1.40 H new ATOM 0 HG13 VAL A 5 9.376 0.073 -13.309 1.00 1.40 H new ATOM 0 HG21 VAL A 5 11.297 -1.708 -11.649 1.00 1.40 H new ATOM 0 HG22 VAL A 5 11.590 0.025 -11.930 1.00 1.40 H new ATOM 0 HG23 VAL A 5 11.527 -0.609 -10.268 1.00 1.40 H new ATOM 91 N SER A 6 6.934 0.583 -10.865 1.00 0.81 N ATOM 92 CA SER A 6 5.553 0.914 -11.171 1.00 0.73 C ATOM 93 C SER A 6 4.611 0.098 -10.284 1.00 0.65 C ATOM 94 O SER A 6 4.944 -1.012 -9.875 1.00 0.67 O ATOM 95 CB SER A 6 5.241 0.664 -12.648 1.00 0.78 C ATOM 96 OG SER A 6 6.343 0.991 -13.490 1.00 0.91 O ATOM 0 H SER A 6 7.075 -0.354 -10.487 1.00 0.81 H new ATOM 0 HA SER A 6 5.403 1.975 -10.970 1.00 0.73 H new ATOM 0 HB2 SER A 6 4.975 -0.383 -12.790 1.00 0.78 H new ATOM 0 HB3 SER A 6 4.374 1.256 -12.940 1.00 0.78 H new ATOM 0 HG SER A 6 6.104 0.816 -14.424 1.00 0.91 H new ATOM 102 N SER A 7 3.451 0.680 -10.015 1.00 0.59 N ATOM 103 CA SER A 7 2.458 0.021 -9.184 1.00 0.52 C ATOM 104 C SER A 7 1.067 0.583 -9.486 1.00 0.47 C ATOM 105 O SER A 7 0.939 1.619 -10.136 1.00 0.49 O ATOM 106 CB SER A 7 2.786 0.186 -7.698 1.00 0.49 C ATOM 107 OG SER A 7 2.853 1.557 -7.315 1.00 0.51 O ATOM 0 H SER A 7 3.177 1.601 -10.358 1.00 0.59 H new ATOM 0 HA SER A 7 2.471 -1.044 -9.415 1.00 0.52 H new ATOM 0 HB2 SER A 7 2.028 -0.321 -7.101 1.00 0.49 H new ATOM 0 HB3 SER A 7 3.738 -0.298 -7.481 1.00 0.49 H new ATOM 0 HG SER A 7 3.063 1.620 -6.360 1.00 0.51 H new ATOM 113 N THR A 8 0.059 -0.127 -8.999 1.00 0.43 N ATOM 114 CA THR A 8 -1.317 0.288 -9.209 1.00 0.41 C ATOM 115 C THR A 8 -2.126 0.126 -7.920 1.00 0.35 C ATOM 116 O THR A 8 -3.124 -0.591 -7.896 1.00 0.37 O ATOM 117 CB THR A 8 -1.879 -0.516 -10.384 1.00 0.49 C ATOM 118 OG1 THR A 8 -0.774 -0.648 -11.274 1.00 0.81 O ATOM 119 CG2 THR A 8 -2.914 0.272 -11.190 1.00 0.65 C ATOM 0 H THR A 8 0.168 -0.986 -8.460 1.00 0.43 H new ATOM 0 HA THR A 8 -1.377 1.347 -9.462 1.00 0.41 H new ATOM 0 HB THR A 8 -2.331 -1.435 -10.012 1.00 0.49 H new ATOM 0 HG1 THR A 8 -1.049 -1.158 -12.064 1.00 0.81 H new ATOM 0 HG21 THR A 8 -3.281 -0.343 -12.011 1.00 0.65 H new ATOM 0 HG22 THR A 8 -3.747 0.547 -10.543 1.00 0.65 H new ATOM 0 HG23 THR A 8 -2.453 1.174 -11.591 1.00 0.65 H new ATOM 127 N PRO A 9 -1.651 0.821 -6.852 1.00 0.30 N ATOM 128 CA PRO A 9 -2.318 0.762 -5.563 1.00 0.28 C ATOM 129 C PRO A 9 -3.605 1.588 -5.574 1.00 0.31 C ATOM 130 O PRO A 9 -4.703 1.035 -5.611 1.00 0.37 O ATOM 131 CB PRO A 9 -1.292 1.272 -4.566 1.00 0.30 C ATOM 132 CG PRO A 9 -0.259 2.032 -5.381 1.00 0.34 C ATOM 133 CD PRO A 9 -0.470 1.681 -6.844 1.00 0.33 C ATOM 0 HA PRO A 9 -2.640 -0.246 -5.301 1.00 0.28 H new ATOM 0 HB2 PRO A 9 -1.758 1.920 -3.824 1.00 0.30 H new ATOM 0 HB3 PRO A 9 -0.831 0.447 -4.024 1.00 0.30 H new ATOM 0 HG2 PRO A 9 -0.366 3.106 -5.227 1.00 0.34 H new ATOM 0 HG3 PRO A 9 0.749 1.763 -5.065 1.00 0.34 H new ATOM 0 HD2 PRO A 9 -0.627 2.575 -7.447 1.00 0.33 H new ATOM 0 HD3 PRO A 9 0.398 1.166 -7.257 1.00 0.33 H new ATOM 141 N ALA A 10 -3.428 2.901 -5.539 1.00 0.34 N ATOM 142 CA ALA A 10 -4.562 3.809 -5.543 1.00 0.40 C ATOM 143 C ALA A 10 -4.055 5.253 -5.514 1.00 0.37 C ATOM 144 O ALA A 10 -4.580 6.085 -4.776 1.00 0.40 O ATOM 145 CB ALA A 10 -5.478 3.490 -4.360 1.00 0.48 C ATOM 0 H ALA A 10 -2.516 3.357 -5.508 1.00 0.34 H new ATOM 0 HA ALA A 10 -5.149 3.683 -6.453 1.00 0.40 H new ATOM 0 HB1 ALA A 10 -6.328 4.172 -4.364 1.00 0.48 H new ATOM 0 HB2 ALA A 10 -5.835 2.464 -4.443 1.00 0.48 H new ATOM 0 HB3 ALA A 10 -4.924 3.607 -3.429 1.00 0.48 H new ATOM 151 N GLU A 11 -3.038 5.505 -6.326 1.00 0.36 N ATOM 152 CA GLU A 11 -2.453 6.833 -6.403 1.00 0.41 C ATOM 153 C GLU A 11 -3.552 7.898 -6.392 1.00 0.45 C ATOM 154 O GLU A 11 -4.262 8.072 -7.382 1.00 0.50 O ATOM 155 CB GLU A 11 -1.567 6.971 -7.643 1.00 0.49 C ATOM 156 CG GLU A 11 -0.102 7.170 -7.249 1.00 0.56 C ATOM 157 CD GLU A 11 0.831 6.490 -8.253 1.00 1.09 C ATOM 158 OE1 GLU A 11 0.700 5.209 -8.338 1.00 2.26 O ATOM 159 OE2 GLU A 11 1.637 7.167 -8.908 1.00 2.07 O ATOM 0 H GLU A 11 -2.605 4.812 -6.936 1.00 0.36 H new ATOM 0 HA GLU A 11 -1.821 6.982 -5.528 1.00 0.41 H new ATOM 0 HB2 GLU A 11 -1.663 6.080 -8.264 1.00 0.49 H new ATOM 0 HB3 GLU A 11 -1.904 7.816 -8.243 1.00 0.49 H new ATOM 0 HG2 GLU A 11 0.124 8.235 -7.200 1.00 0.56 H new ATOM 0 HG3 GLU A 11 0.069 6.762 -6.253 1.00 0.56 H new ATOM 166 N GLY A 12 -3.657 8.583 -5.263 1.00 0.47 N ATOM 167 CA GLY A 12 -4.656 9.626 -5.111 1.00 0.54 C ATOM 168 C GLY A 12 -5.962 9.241 -5.811 1.00 0.59 C ATOM 169 O GLY A 12 -6.660 10.101 -6.346 1.00 0.76 O ATOM 0 H GLY A 12 -3.066 8.436 -4.445 1.00 0.47 H new ATOM 0 HA2 GLY A 12 -4.845 9.802 -4.052 1.00 0.54 H new ATOM 0 HA3 GLY A 12 -4.278 10.560 -5.527 1.00 0.54 H new ATOM 173 N SER A 13 -6.251 7.948 -5.785 1.00 0.55 N ATOM 174 CA SER A 13 -7.460 7.439 -6.410 1.00 0.62 C ATOM 175 C SER A 13 -8.687 7.865 -5.601 1.00 0.57 C ATOM 176 O SER A 13 -9.001 7.259 -4.578 1.00 0.56 O ATOM 177 CB SER A 13 -7.412 5.917 -6.540 1.00 0.75 C ATOM 178 OG SER A 13 -6.957 5.504 -7.826 1.00 1.24 O ATOM 0 H SER A 13 -5.669 7.238 -5.341 1.00 0.55 H new ATOM 0 HA SER A 13 -7.531 7.860 -7.413 1.00 0.62 H new ATOM 0 HB2 SER A 13 -6.753 5.509 -5.774 1.00 0.75 H new ATOM 0 HB3 SER A 13 -8.405 5.506 -6.358 1.00 0.75 H new ATOM 0 HG SER A 13 -6.939 4.525 -7.868 1.00 1.24 H new ATOM 184 N GLU A 14 -9.346 8.905 -6.089 1.00 0.64 N ATOM 185 CA GLU A 14 -10.531 9.419 -5.425 1.00 0.73 C ATOM 186 C GLU A 14 -11.789 9.024 -6.201 1.00 0.83 C ATOM 187 O GLU A 14 -11.953 9.404 -7.359 1.00 0.97 O ATOM 188 CB GLU A 14 -10.449 10.937 -5.251 1.00 0.92 C ATOM 189 CG GLU A 14 -9.109 11.347 -4.637 1.00 0.96 C ATOM 190 CD GLU A 14 -8.800 12.818 -4.923 1.00 1.21 C ATOM 191 OE1 GLU A 14 -9.688 13.561 -5.369 1.00 1.24 O ATOM 192 OE2 GLU A 14 -7.590 13.182 -4.665 1.00 1.99 O ATOM 0 H GLU A 14 -9.081 9.406 -6.937 1.00 0.64 H new ATOM 0 HA GLU A 14 -10.586 8.975 -4.431 1.00 0.73 H new ATOM 0 HB2 GLU A 14 -10.575 11.425 -6.218 1.00 0.92 H new ATOM 0 HB3 GLU A 14 -11.265 11.278 -4.614 1.00 0.92 H new ATOM 0 HG2 GLU A 14 -9.132 11.180 -3.560 1.00 0.96 H new ATOM 0 HG3 GLU A 14 -8.314 10.720 -5.040 1.00 0.96 H new ATOM 199 N GLY A 15 -12.644 8.265 -5.531 1.00 0.83 N ATOM 200 CA GLY A 15 -13.882 7.813 -6.144 1.00 1.00 C ATOM 201 C GLY A 15 -14.492 6.651 -5.357 1.00 0.80 C ATOM 202 O GLY A 15 -15.674 6.678 -5.021 1.00 0.74 O ATOM 0 H GLY A 15 -12.504 7.952 -4.570 1.00 0.83 H new ATOM 0 HA2 GLY A 15 -14.592 8.639 -6.189 1.00 1.00 H new ATOM 0 HA3 GLY A 15 -13.691 7.501 -7.171 1.00 1.00 H new ATOM 206 N ALA A 16 -13.656 5.660 -5.086 1.00 0.92 N ATOM 207 CA ALA A 16 -14.098 4.490 -4.345 1.00 0.96 C ATOM 208 C ALA A 16 -12.888 3.617 -4.010 1.00 1.27 C ATOM 209 O ALA A 16 -11.776 3.891 -4.460 1.00 1.91 O ATOM 210 CB ALA A 16 -15.153 3.738 -5.159 1.00 1.09 C ATOM 0 H ALA A 16 -12.675 5.643 -5.366 1.00 0.92 H new ATOM 0 HA ALA A 16 -14.562 4.785 -3.404 1.00 0.96 H new ATOM 0 HB1 ALA A 16 -15.484 2.861 -4.603 1.00 1.09 H new ATOM 0 HB2 ALA A 16 -16.004 4.393 -5.344 1.00 1.09 H new ATOM 0 HB3 ALA A 16 -14.723 3.424 -6.110 1.00 1.09 H new ATOM 216 N ALA A 17 -13.145 2.583 -3.222 1.00 0.95 N ATOM 217 CA ALA A 17 -12.090 1.667 -2.821 1.00 1.20 C ATOM 218 C ALA A 17 -11.842 0.659 -3.946 1.00 1.01 C ATOM 219 O ALA A 17 -12.785 0.107 -4.509 1.00 0.97 O ATOM 220 CB ALA A 17 -12.474 0.989 -1.505 1.00 1.55 C ATOM 0 H ALA A 17 -14.068 2.359 -2.851 1.00 0.95 H new ATOM 0 HA ALA A 17 -11.158 2.206 -2.649 1.00 1.20 H new ATOM 0 HB1 ALA A 17 -11.682 0.302 -1.205 1.00 1.55 H new ATOM 0 HB2 ALA A 17 -12.610 1.745 -0.732 1.00 1.55 H new ATOM 0 HB3 ALA A 17 -13.403 0.435 -1.639 1.00 1.55 H new ATOM 226 N PRO A 18 -10.533 0.443 -4.244 1.00 0.95 N ATOM 227 CA PRO A 18 -10.148 -0.489 -5.291 1.00 0.84 C ATOM 228 C PRO A 18 -10.315 -1.936 -4.825 1.00 0.80 C ATOM 229 O PRO A 18 -10.439 -2.197 -3.629 1.00 1.23 O ATOM 230 CB PRO A 18 -8.708 -0.135 -5.623 1.00 0.92 C ATOM 231 CG PRO A 18 -8.192 0.666 -4.439 1.00 1.05 C ATOM 232 CD PRO A 18 -9.388 1.078 -3.598 1.00 1.08 C ATOM 0 HA PRO A 18 -10.778 -0.410 -6.177 1.00 0.84 H new ATOM 0 HB2 PRO A 18 -8.110 -1.034 -5.777 1.00 0.92 H new ATOM 0 HB3 PRO A 18 -8.651 0.447 -6.543 1.00 0.92 H new ATOM 0 HG2 PRO A 18 -7.497 0.069 -3.848 1.00 1.05 H new ATOM 0 HG3 PRO A 18 -7.646 1.545 -4.782 1.00 1.05 H new ATOM 0 HD2 PRO A 18 -9.280 0.744 -2.566 1.00 1.08 H new ATOM 0 HD3 PRO A 18 -9.499 2.162 -3.572 1.00 1.08 H new ATOM 240 N ALA A 19 -10.314 -2.840 -5.793 1.00 0.58 N ATOM 241 CA ALA A 19 -10.465 -4.254 -5.497 1.00 0.63 C ATOM 242 C ALA A 19 -9.207 -4.759 -4.785 1.00 0.52 C ATOM 243 O ALA A 19 -9.296 -5.377 -3.726 1.00 0.51 O ATOM 244 CB ALA A 19 -10.749 -5.020 -6.791 1.00 0.81 C ATOM 0 H ALA A 19 -10.211 -2.620 -6.784 1.00 0.58 H new ATOM 0 HA ALA A 19 -11.311 -4.418 -4.829 1.00 0.63 H new ATOM 0 HB1 ALA A 19 -10.862 -6.081 -6.568 1.00 0.81 H new ATOM 0 HB2 ALA A 19 -11.667 -4.644 -7.242 1.00 0.81 H new ATOM 0 HB3 ALA A 19 -9.920 -4.881 -7.485 1.00 0.81 H new ATOM 250 N LYS A 20 -8.067 -4.475 -5.396 1.00 0.48 N ATOM 251 CA LYS A 20 -6.793 -4.892 -4.835 1.00 0.43 C ATOM 252 C LYS A 20 -5.688 -3.962 -5.341 1.00 0.41 C ATOM 253 O LYS A 20 -5.772 -3.440 -6.451 1.00 0.50 O ATOM 254 CB LYS A 20 -6.536 -6.371 -5.130 1.00 0.50 C ATOM 255 CG LYS A 20 -6.701 -6.669 -6.622 1.00 0.76 C ATOM 256 CD LYS A 20 -5.489 -7.426 -7.168 1.00 1.53 C ATOM 257 CE LYS A 20 -5.716 -8.939 -7.109 1.00 2.40 C ATOM 258 NZ LYS A 20 -5.411 -9.560 -8.417 1.00 2.91 N ATOM 0 H LYS A 20 -7.998 -3.961 -6.274 1.00 0.48 H new ATOM 0 HA LYS A 20 -6.809 -4.806 -3.749 1.00 0.43 H new ATOM 0 HB2 LYS A 20 -5.529 -6.640 -4.811 1.00 0.50 H new ATOM 0 HB3 LYS A 20 -7.227 -6.986 -4.554 1.00 0.50 H new ATOM 0 HG2 LYS A 20 -7.604 -7.258 -6.781 1.00 0.76 H new ATOM 0 HG3 LYS A 20 -6.829 -5.736 -7.171 1.00 0.76 H new ATOM 0 HD2 LYS A 20 -5.300 -7.123 -8.198 1.00 1.53 H new ATOM 0 HD3 LYS A 20 -4.602 -7.165 -6.591 1.00 1.53 H new ATOM 0 HE2 LYS A 20 -5.085 -9.377 -6.336 1.00 2.40 H new ATOM 0 HE3 LYS A 20 -6.750 -9.147 -6.833 1.00 2.40 H new ATOM 0 HZ1 LYS A 20 -5.570 -10.586 -8.360 1.00 2.91 H new ATOM 0 HZ2 LYS A 20 -6.030 -9.154 -9.147 1.00 2.91 H new ATOM 0 HZ3 LYS A 20 -4.418 -9.377 -8.665 1.00 2.91 H new ATOM 272 N ILE A 21 -4.680 -3.782 -4.501 1.00 0.36 N ATOM 273 CA ILE A 21 -3.559 -2.925 -4.850 1.00 0.36 C ATOM 274 C ILE A 21 -2.542 -3.727 -5.663 1.00 0.39 C ATOM 275 O ILE A 21 -2.313 -4.904 -5.390 1.00 0.40 O ATOM 276 CB ILE A 21 -2.970 -2.278 -3.595 1.00 0.36 C ATOM 277 CG1 ILE A 21 -3.634 -0.928 -3.312 1.00 0.36 C ATOM 278 CG2 ILE A 21 -1.449 -2.157 -3.703 1.00 0.41 C ATOM 279 CD1 ILE A 21 -4.402 -0.961 -1.989 1.00 0.40 C ATOM 0 H ILE A 21 -4.616 -4.215 -3.580 1.00 0.36 H new ATOM 0 HA ILE A 21 -3.892 -2.101 -5.481 1.00 0.36 H new ATOM 0 HB ILE A 21 -3.182 -2.926 -2.745 1.00 0.36 H new ATOM 0 HG12 ILE A 21 -2.876 -0.146 -3.277 1.00 0.36 H new ATOM 0 HG13 ILE A 21 -4.314 -0.676 -4.125 1.00 0.36 H new ATOM 0 HG21 ILE A 21 -1.056 -1.694 -2.798 1.00 0.41 H new ATOM 0 HG22 ILE A 21 -1.013 -3.149 -3.822 1.00 0.41 H new ATOM 0 HG23 ILE A 21 -1.193 -1.542 -4.566 1.00 0.41 H new ATOM 0 HD11 ILE A 21 -4.864 0.010 -1.812 1.00 0.40 H new ATOM 0 HD12 ILE A 21 -5.176 -1.727 -2.036 1.00 0.40 H new ATOM 0 HD13 ILE A 21 -3.714 -1.189 -1.175 1.00 0.40 H new ATOM 291 N GLU A 22 -1.958 -3.058 -6.646 1.00 0.42 N ATOM 292 CA GLU A 22 -0.971 -3.693 -7.502 1.00 0.46 C ATOM 293 C GLU A 22 0.400 -3.042 -7.305 1.00 0.46 C ATOM 294 O GLU A 22 0.488 -1.853 -7.004 1.00 0.44 O ATOM 295 CB GLU A 22 -1.399 -3.637 -8.969 1.00 0.50 C ATOM 296 CG GLU A 22 -1.221 -4.999 -9.645 1.00 0.49 C ATOM 297 CD GLU A 22 0.019 -5.009 -10.541 1.00 1.20 C ATOM 298 OE1 GLU A 22 0.165 -4.133 -11.407 1.00 1.67 O ATOM 299 OE2 GLU A 22 0.849 -5.969 -10.312 1.00 2.48 O ATOM 0 H GLU A 22 -2.150 -2.081 -6.869 1.00 0.42 H new ATOM 0 HA GLU A 22 -0.897 -4.743 -7.220 1.00 0.46 H new ATOM 0 HB2 GLU A 22 -2.442 -3.328 -9.036 1.00 0.50 H new ATOM 0 HB3 GLU A 22 -0.810 -2.886 -9.495 1.00 0.50 H new ATOM 0 HG2 GLU A 22 -1.132 -5.777 -8.886 1.00 0.49 H new ATOM 0 HG3 GLU A 22 -2.105 -5.233 -10.239 1.00 0.49 H new ATOM 306 N LEU A 23 1.434 -3.849 -7.484 1.00 0.51 N ATOM 307 CA LEU A 23 2.796 -3.367 -7.331 1.00 0.54 C ATOM 308 C LEU A 23 3.715 -4.133 -8.284 1.00 0.60 C ATOM 309 O LEU A 23 3.506 -5.320 -8.533 1.00 0.63 O ATOM 310 CB LEU A 23 3.229 -3.442 -5.865 1.00 0.54 C ATOM 311 CG LEU A 23 2.341 -2.701 -4.864 1.00 0.50 C ATOM 312 CD1 LEU A 23 2.499 -3.280 -3.457 1.00 0.53 C ATOM 313 CD2 LEU A 23 2.615 -1.196 -4.899 1.00 0.51 C ATOM 0 H LEU A 23 1.356 -4.835 -7.734 1.00 0.51 H new ATOM 0 HA LEU A 23 2.860 -2.314 -7.605 1.00 0.54 H new ATOM 0 HB2 LEU A 23 3.274 -4.491 -5.573 1.00 0.54 H new ATOM 0 HB3 LEU A 23 4.241 -3.046 -5.785 1.00 0.54 H new ATOM 0 HG LEU A 23 1.301 -2.846 -5.156 1.00 0.50 H new ATOM 0 HD11 LEU A 23 1.857 -2.735 -2.765 1.00 0.53 H new ATOM 0 HD12 LEU A 23 2.216 -4.333 -3.463 1.00 0.53 H new ATOM 0 HD13 LEU A 23 3.537 -3.186 -3.139 1.00 0.53 H new ATOM 0 HD21 LEU A 23 1.971 -0.692 -4.178 1.00 0.51 H new ATOM 0 HD22 LEU A 23 3.659 -1.010 -4.645 1.00 0.51 H new ATOM 0 HD23 LEU A 23 2.411 -0.812 -5.899 1.00 0.51 H new ATOM 325 N HIS A 24 4.712 -3.424 -8.791 1.00 0.63 N ATOM 326 CA HIS A 24 5.664 -4.023 -9.712 1.00 0.69 C ATOM 327 C HIS A 24 7.077 -3.542 -9.373 1.00 0.73 C ATOM 328 O HIS A 24 7.256 -2.434 -8.870 1.00 0.75 O ATOM 329 CB HIS A 24 5.272 -3.734 -11.162 1.00 0.72 C ATOM 330 CG HIS A 24 4.187 -4.638 -11.696 1.00 0.73 C ATOM 331 ND1 HIS A 24 4.389 -5.984 -11.948 1.00 0.78 N ATOM 332 CD2 HIS A 24 2.889 -4.376 -12.023 1.00 0.83 C ATOM 333 CE1 HIS A 24 3.256 -6.499 -12.405 1.00 0.79 C ATOM 334 NE2 HIS A 24 2.328 -5.500 -12.452 1.00 0.79 N ATOM 0 H HIS A 24 4.882 -2.440 -8.582 1.00 0.63 H new ATOM 0 HA HIS A 24 5.650 -5.107 -9.602 1.00 0.69 H new ATOM 0 HB2 HIS A 24 4.939 -2.699 -11.238 1.00 0.72 H new ATOM 0 HB3 HIS A 24 6.155 -3.832 -11.793 1.00 0.72 H new ATOM 0 HD2 HIS A 24 2.400 -3.416 -11.946 1.00 0.83 H new ATOM 0 HE1 HIS A 24 3.096 -7.528 -12.690 1.00 0.79 H new ATOM 0 HE2 HIS A 24 1.362 -5.600 -12.765 1.00 0.79 H new ATOM 342 N PHE A 25 8.044 -4.400 -9.664 1.00 0.79 N ATOM 343 CA PHE A 25 9.435 -4.078 -9.396 1.00 0.84 C ATOM 344 C PHE A 25 10.367 -4.863 -10.322 1.00 0.93 C ATOM 345 O PHE A 25 10.328 -6.092 -10.351 1.00 1.17 O ATOM 346 CB PHE A 25 9.717 -4.480 -7.947 1.00 0.80 C ATOM 347 CG PHE A 25 8.809 -3.795 -6.924 1.00 1.07 C ATOM 348 CD1 PHE A 25 7.622 -4.363 -6.581 1.00 2.60 C ATOM 349 CD2 PHE A 25 9.190 -2.620 -6.357 1.00 1.48 C ATOM 350 CE1 PHE A 25 6.779 -3.727 -5.631 1.00 2.93 C ATOM 351 CE2 PHE A 25 8.347 -1.984 -5.406 1.00 1.66 C ATOM 352 CZ PHE A 25 7.159 -2.551 -5.064 1.00 1.87 C ATOM 0 H PHE A 25 7.891 -5.318 -10.083 1.00 0.79 H new ATOM 0 HA PHE A 25 9.610 -3.015 -9.564 1.00 0.84 H new ATOM 0 HB2 PHE A 25 9.605 -5.560 -7.852 1.00 0.80 H new ATOM 0 HB3 PHE A 25 10.755 -4.246 -7.711 1.00 0.80 H new ATOM 0 HD1 PHE A 25 7.320 -5.297 -7.031 1.00 2.60 H new ATOM 0 HD2 PHE A 25 10.133 -2.170 -6.629 1.00 1.48 H new ATOM 0 HE1 PHE A 25 5.836 -4.178 -5.359 1.00 2.93 H new ATOM 0 HE2 PHE A 25 8.650 -1.051 -4.955 1.00 1.66 H new ATOM 0 HZ PHE A 25 6.518 -2.067 -4.342 1.00 1.87 H new ATOM 362 N SER A 26 11.184 -4.120 -11.054 1.00 0.90 N ATOM 363 CA SER A 26 12.125 -4.731 -11.978 1.00 1.02 C ATOM 364 C SER A 26 13.532 -4.719 -11.377 1.00 0.86 C ATOM 365 O SER A 26 14.501 -5.067 -12.048 1.00 0.99 O ATOM 366 CB SER A 26 12.118 -4.011 -13.328 1.00 1.60 C ATOM 367 OG SER A 26 12.085 -4.925 -14.421 1.00 2.45 O ATOM 0 H SER A 26 11.214 -3.101 -11.026 1.00 0.90 H new ATOM 0 HA SER A 26 11.818 -5.763 -12.146 1.00 1.02 H new ATOM 0 HB2 SER A 26 11.253 -3.350 -13.382 1.00 1.60 H new ATOM 0 HB3 SER A 26 13.005 -3.382 -13.408 1.00 1.60 H new ATOM 0 HG SER A 26 12.080 -4.426 -15.265 1.00 2.45 H new ATOM 373 N GLU A 27 13.599 -4.312 -10.118 1.00 0.90 N ATOM 374 CA GLU A 27 14.871 -4.249 -9.418 1.00 1.29 C ATOM 375 C GLU A 27 14.961 -5.366 -8.378 1.00 1.40 C ATOM 376 O GLU A 27 15.646 -5.225 -7.366 1.00 2.00 O ATOM 377 CB GLU A 27 15.073 -2.878 -8.770 1.00 1.76 C ATOM 378 CG GLU A 27 14.035 -2.632 -7.673 1.00 3.73 C ATOM 379 CD GLU A 27 14.400 -1.404 -6.838 1.00 4.89 C ATOM 380 OE1 GLU A 27 14.538 -0.323 -7.450 1.00 5.56 O ATOM 381 OE2 GLU A 27 14.533 -1.573 -5.607 1.00 5.73 O ATOM 0 H GLU A 27 12.793 -4.022 -9.564 1.00 0.90 H new ATOM 0 HA GLU A 27 15.671 -4.392 -10.145 1.00 1.29 H new ATOM 0 HB2 GLU A 27 16.076 -2.816 -8.347 1.00 1.76 H new ATOM 0 HB3 GLU A 27 14.998 -2.099 -9.528 1.00 1.76 H new ATOM 0 HG2 GLU A 27 13.052 -2.491 -8.123 1.00 3.73 H new ATOM 0 HG3 GLU A 27 13.968 -3.508 -7.028 1.00 3.73 H new ATOM 388 N ASN A 28 14.259 -6.454 -8.662 1.00 1.93 N ATOM 389 CA ASN A 28 14.250 -7.595 -7.763 1.00 2.58 C ATOM 390 C ASN A 28 13.733 -7.156 -6.392 1.00 1.70 C ATOM 391 O ASN A 28 14.493 -6.640 -5.573 1.00 2.02 O ATOM 392 CB ASN A 28 15.659 -8.161 -7.577 1.00 4.07 C ATOM 393 CG ASN A 28 15.727 -9.076 -6.353 1.00 4.49 C ATOM 394 OD1 ASN A 28 16.726 -9.152 -5.657 1.00 5.53 O ATOM 395 ND2 ASN A 28 14.610 -9.763 -6.128 1.00 3.81 N ATOM 0 H ASN A 28 13.692 -6.569 -9.502 1.00 1.93 H new ATOM 0 HA ASN A 28 13.608 -8.361 -8.198 1.00 2.58 H new ATOM 0 HB2 ASN A 28 15.951 -8.717 -8.468 1.00 4.07 H new ATOM 0 HB3 ASN A 28 16.371 -7.343 -7.464 1.00 4.07 H new ATOM 0 HD21 ASN A 28 14.554 -10.400 -5.333 1.00 3.81 H new ATOM 0 HD22 ASN A 28 13.809 -9.653 -6.750 1.00 3.81 H new ATOM 402 N LEU A 29 12.443 -7.376 -6.182 1.00 1.75 N ATOM 403 CA LEU A 29 11.816 -7.009 -4.924 1.00 2.81 C ATOM 404 C LEU A 29 11.965 -8.162 -3.929 1.00 2.42 C ATOM 405 O LEU A 29 11.101 -9.034 -3.851 1.00 3.77 O ATOM 406 CB LEU A 29 10.367 -6.578 -5.154 1.00 4.66 C ATOM 407 CG LEU A 29 9.703 -5.815 -4.005 1.00 6.23 C ATOM 408 CD1 LEU A 29 9.292 -6.767 -2.879 1.00 7.20 C ATOM 409 CD2 LEU A 29 10.607 -4.688 -3.502 1.00 6.54 C ATOM 0 H LEU A 29 11.815 -7.804 -6.862 1.00 1.75 H new ATOM 0 HA LEU A 29 12.316 -6.144 -4.487 1.00 2.81 H new ATOM 0 HB2 LEU A 29 10.332 -5.953 -6.047 1.00 4.66 H new ATOM 0 HB3 LEU A 29 9.773 -7.468 -5.364 1.00 4.66 H new ATOM 0 HG LEU A 29 8.791 -5.352 -4.383 1.00 6.23 H new ATOM 0 HD11 LEU A 29 8.823 -6.199 -2.076 1.00 7.20 H new ATOM 0 HD12 LEU A 29 8.586 -7.502 -3.264 1.00 7.20 H new ATOM 0 HD13 LEU A 29 10.175 -7.278 -2.495 1.00 7.20 H new ATOM 0 HD21 LEU A 29 10.112 -4.161 -2.686 1.00 6.54 H new ATOM 0 HD22 LEU A 29 11.548 -5.108 -3.146 1.00 6.54 H new ATOM 0 HD23 LEU A 29 10.806 -3.991 -4.316 1.00 6.54 H new ATOM 421 N VAL A 30 13.067 -8.129 -3.193 1.00 1.77 N ATOM 422 CA VAL A 30 13.340 -9.160 -2.207 1.00 1.84 C ATOM 423 C VAL A 30 12.429 -8.954 -0.995 1.00 1.74 C ATOM 424 O VAL A 30 12.004 -7.834 -0.717 1.00 2.52 O ATOM 425 CB VAL A 30 14.826 -9.157 -1.845 1.00 2.90 C ATOM 426 CG1 VAL A 30 15.049 -9.717 -0.439 1.00 3.22 C ATOM 427 CG2 VAL A 30 15.644 -9.932 -2.881 1.00 4.20 C ATOM 0 H VAL A 30 13.781 -7.404 -3.260 1.00 1.77 H new ATOM 0 HA VAL A 30 13.121 -10.147 -2.615 1.00 1.84 H new ATOM 0 HB VAL A 30 15.171 -8.123 -1.852 1.00 2.90 H new ATOM 0 HG11 VAL A 30 16.114 -9.704 -0.207 1.00 3.22 H new ATOM 0 HG12 VAL A 30 14.512 -9.105 0.286 1.00 3.22 H new ATOM 0 HG13 VAL A 30 14.680 -10.742 -0.393 1.00 3.22 H new ATOM 0 HG21 VAL A 30 16.697 -9.915 -2.600 1.00 4.20 H new ATOM 0 HG22 VAL A 30 15.296 -10.964 -2.921 1.00 4.20 H new ATOM 0 HG23 VAL A 30 15.522 -9.470 -3.861 1.00 4.20 H new ATOM 437 N THR A 31 12.155 -10.053 -0.308 1.00 1.75 N ATOM 438 CA THR A 31 11.302 -10.007 0.867 1.00 2.47 C ATOM 439 C THR A 31 12.150 -9.939 2.140 1.00 2.39 C ATOM 440 O THR A 31 11.986 -10.757 3.043 1.00 3.21 O ATOM 441 CB THR A 31 10.369 -11.219 0.822 1.00 3.26 C ATOM 442 OG1 THR A 31 9.618 -11.124 2.030 1.00 4.08 O ATOM 443 CG2 THR A 31 11.124 -12.544 0.956 1.00 3.39 C ATOM 0 H THR A 31 12.509 -10.981 -0.543 1.00 1.75 H new ATOM 0 HA THR A 31 10.688 -9.106 0.875 1.00 2.47 H new ATOM 0 HB THR A 31 9.810 -11.212 -0.114 1.00 3.26 H new ATOM 0 HG1 THR A 31 10.229 -11.123 2.796 1.00 4.08 H new ATOM 0 HG21 THR A 31 10.416 -13.372 0.918 1.00 3.39 H new ATOM 0 HG22 THR A 31 11.839 -12.640 0.138 1.00 3.39 H new ATOM 0 HG23 THR A 31 11.656 -12.565 1.907 1.00 3.39 H new ATOM 451 N GLN A 32 13.038 -8.957 2.169 1.00 1.87 N ATOM 452 CA GLN A 32 13.912 -8.772 3.314 1.00 2.08 C ATOM 453 C GLN A 32 13.409 -7.621 4.186 1.00 1.87 C ATOM 454 O GLN A 32 13.373 -7.732 5.411 1.00 2.30 O ATOM 455 CB GLN A 32 15.356 -8.532 2.869 1.00 2.61 C ATOM 456 CG GLN A 32 16.238 -9.742 3.191 1.00 3.56 C ATOM 457 CD GLN A 32 16.036 -10.198 4.637 1.00 4.03 C ATOM 458 OE1 GLN A 32 16.539 -9.608 5.578 1.00 4.92 O ATOM 459 NE2 GLN A 32 15.271 -11.280 4.761 1.00 4.41 N ATOM 0 H GLN A 32 13.171 -8.281 1.417 1.00 1.87 H new ATOM 0 HA GLN A 32 13.897 -9.686 3.908 1.00 2.08 H new ATOM 0 HB2 GLN A 32 15.382 -8.334 1.798 1.00 2.61 H new ATOM 0 HB3 GLN A 32 15.751 -7.647 3.367 1.00 2.61 H new ATOM 0 HG2 GLN A 32 16.001 -10.560 2.511 1.00 3.56 H new ATOM 0 HG3 GLN A 32 17.285 -9.487 3.029 1.00 3.56 H new ATOM 0 HE21 GLN A 32 14.880 -11.726 3.931 1.00 4.41 H new ATOM 0 HE22 GLN A 32 15.075 -11.663 5.686 1.00 4.41 H new ATOM 468 N PHE A 33 13.032 -6.538 3.521 1.00 1.96 N ATOM 469 CA PHE A 33 12.531 -5.367 4.219 1.00 2.20 C ATOM 470 C PHE A 33 11.301 -4.791 3.513 1.00 1.78 C ATOM 471 O PHE A 33 10.891 -3.665 3.792 1.00 1.98 O ATOM 472 CB PHE A 33 13.650 -4.323 4.202 1.00 3.04 C ATOM 473 CG PHE A 33 14.759 -4.584 5.222 1.00 3.66 C ATOM 474 CD1 PHE A 33 14.586 -4.223 6.521 1.00 3.87 C ATOM 475 CD2 PHE A 33 15.919 -5.176 4.829 1.00 4.67 C ATOM 476 CE1 PHE A 33 15.616 -4.465 7.469 1.00 4.50 C ATOM 477 CE2 PHE A 33 16.949 -5.417 5.776 1.00 5.25 C ATOM 478 CZ PHE A 33 16.776 -5.056 7.076 1.00 4.91 C ATOM 0 H PHE A 33 13.064 -6.448 2.506 1.00 1.96 H new ATOM 0 HA PHE A 33 12.241 -5.636 5.235 1.00 2.20 H new ATOM 0 HB2 PHE A 33 14.088 -4.291 3.204 1.00 3.04 H new ATOM 0 HB3 PHE A 33 13.219 -3.340 4.393 1.00 3.04 H new ATOM 0 HD1 PHE A 33 13.665 -3.752 6.832 1.00 3.87 H new ATOM 0 HD2 PHE A 33 16.056 -5.463 3.797 1.00 4.67 H new ATOM 0 HE1 PHE A 33 15.478 -4.180 8.501 1.00 4.50 H new ATOM 0 HE2 PHE A 33 17.870 -5.887 5.464 1.00 5.25 H new ATOM 0 HZ PHE A 33 17.560 -5.239 7.796 1.00 4.91 H new ATOM 488 N SER A 34 10.747 -5.590 2.613 1.00 1.39 N ATOM 489 CA SER A 34 9.573 -5.174 1.866 1.00 1.19 C ATOM 490 C SER A 34 8.303 -5.565 2.625 1.00 0.84 C ATOM 491 O SER A 34 8.329 -6.467 3.461 1.00 0.97 O ATOM 492 CB SER A 34 9.565 -5.790 0.465 1.00 1.31 C ATOM 493 OG SER A 34 8.430 -5.379 -0.292 1.00 1.83 O ATOM 0 H SER A 34 11.090 -6.523 2.384 1.00 1.39 H new ATOM 0 HA SER A 34 9.604 -4.090 1.757 1.00 1.19 H new ATOM 0 HB2 SER A 34 10.475 -5.504 -0.062 1.00 1.31 H new ATOM 0 HB3 SER A 34 9.572 -6.877 0.547 1.00 1.31 H new ATOM 0 HG SER A 34 8.406 -4.401 -0.341 1.00 1.83 H new ATOM 499 N GLY A 35 7.223 -4.867 2.307 1.00 0.84 N ATOM 500 CA GLY A 35 5.946 -5.131 2.948 1.00 0.71 C ATOM 501 C GLY A 35 4.924 -4.046 2.600 1.00 0.82 C ATOM 502 O GLY A 35 5.182 -3.193 1.753 1.00 1.32 O ATOM 0 H GLY A 35 7.206 -4.119 1.614 1.00 0.84 H new ATOM 0 HA2 GLY A 35 5.571 -6.104 2.632 1.00 0.71 H new ATOM 0 HA3 GLY A 35 6.080 -5.177 4.029 1.00 0.71 H new ATOM 506 N ALA A 36 3.784 -4.117 3.271 1.00 0.58 N ATOM 507 CA ALA A 36 2.721 -3.152 3.043 1.00 0.70 C ATOM 508 C ALA A 36 1.861 -3.038 4.304 1.00 0.55 C ATOM 509 O ALA A 36 1.722 -4.004 5.053 1.00 0.60 O ATOM 510 CB ALA A 36 1.906 -3.570 1.817 1.00 1.12 C ATOM 0 H ALA A 36 3.573 -4.827 3.972 1.00 0.58 H new ATOM 0 HA ALA A 36 3.136 -2.165 2.838 1.00 0.70 H new ATOM 0 HB1 ALA A 36 1.109 -2.846 1.646 1.00 1.12 H new ATOM 0 HB2 ALA A 36 2.556 -3.607 0.943 1.00 1.12 H new ATOM 0 HB3 ALA A 36 1.471 -4.555 1.988 1.00 1.12 H new ATOM 516 N LYS A 37 1.308 -1.850 4.500 1.00 0.52 N ATOM 517 CA LYS A 37 0.467 -1.597 5.657 1.00 0.64 C ATOM 518 C LYS A 37 -0.507 -0.463 5.336 1.00 0.63 C ATOM 519 O LYS A 37 -0.098 0.686 5.181 1.00 0.64 O ATOM 520 CB LYS A 37 1.325 -1.340 6.897 1.00 0.86 C ATOM 521 CG LYS A 37 1.493 -2.616 7.723 1.00 1.02 C ATOM 522 CD LYS A 37 1.570 -2.297 9.218 1.00 1.45 C ATOM 523 CE LYS A 37 3.023 -2.166 9.676 1.00 2.90 C ATOM 524 NZ LYS A 37 3.484 -3.424 10.302 1.00 3.17 N ATOM 0 H LYS A 37 1.426 -1.052 3.876 1.00 0.52 H new ATOM 0 HA LYS A 37 -0.134 -2.476 5.891 1.00 0.64 H new ATOM 0 HB2 LYS A 37 2.304 -0.967 6.595 1.00 0.86 H new ATOM 0 HB3 LYS A 37 0.863 -0.565 7.509 1.00 0.86 H new ATOM 0 HG2 LYS A 37 0.656 -3.288 7.534 1.00 1.02 H new ATOM 0 HG3 LYS A 37 2.398 -3.138 7.412 1.00 1.02 H new ATOM 0 HD2 LYS A 37 1.035 -1.370 9.424 1.00 1.45 H new ATOM 0 HD3 LYS A 37 1.075 -3.084 9.787 1.00 1.45 H new ATOM 0 HE2 LYS A 37 3.658 -1.922 8.824 1.00 2.90 H new ATOM 0 HE3 LYS A 37 3.114 -1.345 10.387 1.00 2.90 H new ATOM 0 HZ1 LYS A 37 4.472 -3.318 10.607 1.00 3.17 H new ATOM 0 HZ2 LYS A 37 2.888 -3.640 11.127 1.00 3.17 H new ATOM 0 HZ3 LYS A 37 3.416 -4.200 9.613 1.00 3.17 H new ATOM 538 N LEU A 38 -1.779 -0.825 5.245 1.00 0.63 N ATOM 539 CA LEU A 38 -2.815 0.148 4.944 1.00 0.63 C ATOM 540 C LEU A 38 -3.389 0.695 6.253 1.00 0.66 C ATOM 541 O LEU A 38 -3.602 -0.055 7.203 1.00 0.74 O ATOM 542 CB LEU A 38 -3.868 -0.459 4.017 1.00 0.64 C ATOM 543 CG LEU A 38 -5.141 0.366 3.816 1.00 0.67 C ATOM 544 CD1 LEU A 38 -4.805 1.831 3.529 1.00 0.76 C ATOM 545 CD2 LEU A 38 -6.023 -0.244 2.724 1.00 0.78 C ATOM 0 H LEU A 38 -2.115 -1.779 5.375 1.00 0.63 H new ATOM 0 HA LEU A 38 -2.396 0.995 4.400 1.00 0.63 H new ATOM 0 HB2 LEU A 38 -3.411 -0.628 3.042 1.00 0.64 H new ATOM 0 HB3 LEU A 38 -4.150 -1.436 4.411 1.00 0.64 H new ATOM 0 HG LEU A 38 -5.713 0.342 4.743 1.00 0.67 H new ATOM 0 HD11 LEU A 38 -5.727 2.395 3.390 1.00 0.76 H new ATOM 0 HD12 LEU A 38 -4.248 2.248 4.368 1.00 0.76 H new ATOM 0 HD13 LEU A 38 -4.201 1.895 2.624 1.00 0.76 H new ATOM 0 HD21 LEU A 38 -6.921 0.361 2.601 1.00 0.78 H new ATOM 0 HD22 LEU A 38 -5.472 -0.271 1.784 1.00 0.78 H new ATOM 0 HD23 LEU A 38 -6.305 -1.258 3.008 1.00 0.78 H new ATOM 557 N VAL A 39 -3.623 2.000 6.260 1.00 0.62 N ATOM 558 CA VAL A 39 -4.168 2.656 7.437 1.00 0.65 C ATOM 559 C VAL A 39 -5.292 3.602 7.012 1.00 0.64 C ATOM 560 O VAL A 39 -5.197 4.261 5.978 1.00 0.60 O ATOM 561 CB VAL A 39 -3.051 3.362 8.206 1.00 0.69 C ATOM 562 CG1 VAL A 39 -2.021 2.356 8.726 1.00 0.76 C ATOM 563 CG2 VAL A 39 -2.383 4.434 7.344 1.00 0.83 C ATOM 0 H VAL A 39 -3.445 2.620 5.470 1.00 0.62 H new ATOM 0 HA VAL A 39 -4.600 1.923 8.118 1.00 0.65 H new ATOM 0 HB VAL A 39 -3.500 3.857 9.067 1.00 0.69 H new ATOM 0 HG11 VAL A 39 -1.238 2.885 9.269 1.00 0.76 H new ATOM 0 HG12 VAL A 39 -2.510 1.647 9.394 1.00 0.76 H new ATOM 0 HG13 VAL A 39 -1.581 1.819 7.886 1.00 0.76 H new ATOM 0 HG21 VAL A 39 -1.593 4.920 7.916 1.00 0.83 H new ATOM 0 HG22 VAL A 39 -1.955 3.971 6.454 1.00 0.83 H new ATOM 0 HG23 VAL A 39 -3.124 5.176 7.047 1.00 0.83 H new ATOM 573 N MET A 40 -6.332 3.638 7.832 1.00 0.72 N ATOM 574 CA MET A 40 -7.474 4.494 7.554 1.00 0.74 C ATOM 575 C MET A 40 -7.316 5.857 8.230 1.00 0.80 C ATOM 576 O MET A 40 -7.631 6.011 9.409 1.00 0.89 O ATOM 577 CB MET A 40 -8.752 3.819 8.059 1.00 0.82 C ATOM 578 CG MET A 40 -9.949 4.767 7.957 1.00 0.90 C ATOM 579 SD MET A 40 -10.665 5.021 9.572 1.00 1.46 S ATOM 580 CE MET A 40 -11.880 6.269 9.180 1.00 2.36 C ATOM 0 H MET A 40 -6.408 3.089 8.688 1.00 0.72 H new ATOM 0 HA MET A 40 -7.534 4.649 6.477 1.00 0.74 H new ATOM 0 HB2 MET A 40 -8.946 2.918 7.477 1.00 0.82 H new ATOM 0 HB3 MET A 40 -8.618 3.507 9.095 1.00 0.82 H new ATOM 0 HG2 MET A 40 -9.633 5.721 7.536 1.00 0.90 H new ATOM 0 HG3 MET A 40 -10.696 4.352 7.280 1.00 0.90 H new ATOM 0 HE1 MET A 40 -12.810 6.048 9.703 1.00 2.36 H new ATOM 0 HE2 MET A 40 -11.512 7.246 9.492 1.00 2.36 H new ATOM 0 HE3 MET A 40 -12.061 6.276 8.105 1.00 2.36 H new ATOM 590 N THR A 41 -6.827 6.813 7.453 1.00 0.76 N ATOM 591 CA THR A 41 -6.623 8.158 7.962 1.00 0.83 C ATOM 592 C THR A 41 -7.593 9.134 7.293 1.00 0.87 C ATOM 593 O THR A 41 -7.170 10.084 6.635 1.00 0.93 O ATOM 594 CB THR A 41 -5.152 8.525 7.752 1.00 0.89 C ATOM 595 OG1 THR A 41 -5.122 9.941 7.906 1.00 0.98 O ATOM 596 CG2 THR A 41 -4.691 8.297 6.311 1.00 1.05 C ATOM 0 H THR A 41 -6.566 6.682 6.476 1.00 0.76 H new ATOM 0 HA THR A 41 -6.838 8.214 9.029 1.00 0.83 H new ATOM 0 HB THR A 41 -4.532 7.937 8.429 1.00 0.89 H new ATOM 0 HG1 THR A 41 -5.576 10.362 7.147 1.00 0.98 H new ATOM 0 HG21 THR A 41 -3.641 8.573 6.217 1.00 1.05 H new ATOM 0 HG22 THR A 41 -4.815 7.246 6.052 1.00 1.05 H new ATOM 0 HG23 THR A 41 -5.289 8.910 5.636 1.00 1.05 H new ATOM 604 N ALA A 42 -8.877 8.867 7.485 1.00 0.86 N ATOM 605 CA ALA A 42 -9.911 9.710 6.908 1.00 0.93 C ATOM 606 C ALA A 42 -9.462 11.172 6.964 1.00 1.31 C ATOM 607 O ALA A 42 -9.404 11.847 5.937 1.00 2.24 O ATOM 608 CB ALA A 42 -11.230 9.478 7.648 1.00 1.31 C ATOM 0 H ALA A 42 -9.225 8.079 8.032 1.00 0.86 H new ATOM 0 HA ALA A 42 -10.074 9.455 5.861 1.00 0.93 H new ATOM 0 HB1 ALA A 42 -12.006 10.110 7.216 1.00 1.31 H new ATOM 0 HB2 ALA A 42 -11.520 8.432 7.554 1.00 1.31 H new ATOM 0 HB3 ALA A 42 -11.105 9.727 8.702 1.00 1.31 H new ATOM 614 N MET A 43 -9.154 11.617 8.173 1.00 1.94 N ATOM 615 CA MET A 43 -8.711 12.987 8.375 1.00 2.34 C ATOM 616 C MET A 43 -8.580 13.306 9.867 1.00 1.94 C ATOM 617 O MET A 43 -9.573 13.314 10.592 1.00 1.95 O ATOM 618 CB MET A 43 -9.713 13.947 7.733 1.00 3.02 C ATOM 619 CG MET A 43 -9.055 14.762 6.617 1.00 4.17 C ATOM 620 SD MET A 43 -9.282 16.506 6.918 1.00 5.44 S ATOM 621 CE MET A 43 -7.736 16.885 7.726 1.00 6.90 C ATOM 0 H MET A 43 -9.202 11.054 9.022 1.00 1.94 H new ATOM 0 HA MET A 43 -7.732 13.106 7.910 1.00 2.34 H new ATOM 0 HB2 MET A 43 -10.554 13.384 7.329 1.00 3.02 H new ATOM 0 HB3 MET A 43 -10.114 14.620 8.491 1.00 3.02 H new ATOM 0 HG2 MET A 43 -7.991 14.529 6.564 1.00 4.17 H new ATOM 0 HG3 MET A 43 -9.488 14.492 5.654 1.00 4.17 H new ATOM 0 HE1 MET A 43 -7.740 17.926 8.048 1.00 6.90 H new ATOM 0 HE2 MET A 43 -7.611 16.237 8.594 1.00 6.90 H new ATOM 0 HE3 MET A 43 -6.913 16.723 7.030 1.00 6.90 H new ATOM 631 N PRO A 44 -7.314 13.568 10.290 1.00 2.49 N ATOM 632 CA PRO A 44 -7.041 13.887 11.680 1.00 2.44 C ATOM 633 C PRO A 44 -7.485 15.312 12.013 1.00 2.82 C ATOM 634 O PRO A 44 -7.447 16.195 11.157 1.00 3.45 O ATOM 635 CB PRO A 44 -5.545 13.676 11.846 1.00 3.45 C ATOM 636 CG PRO A 44 -4.963 13.700 10.441 1.00 4.31 C ATOM 637 CD PRO A 44 -6.115 13.568 9.458 1.00 3.70 C ATOM 0 HA PRO A 44 -7.598 13.256 12.373 1.00 2.44 H new ATOM 0 HB2 PRO A 44 -5.106 14.459 12.464 1.00 3.45 H new ATOM 0 HB3 PRO A 44 -5.337 12.726 12.339 1.00 3.45 H new ATOM 0 HG2 PRO A 44 -4.419 14.629 10.269 1.00 4.31 H new ATOM 0 HG3 PRO A 44 -4.252 12.884 10.308 1.00 4.31 H new ATOM 0 HD2 PRO A 44 -6.126 14.395 8.748 1.00 3.70 H new ATOM 0 HD3 PRO A 44 -6.036 12.649 8.877 1.00 3.70 H new ATOM 645 N GLY A 45 -7.896 15.494 13.259 1.00 3.17 N ATOM 646 CA GLY A 45 -8.347 16.798 13.716 1.00 4.04 C ATOM 647 C GLY A 45 -9.610 16.673 14.572 1.00 3.37 C ATOM 648 O GLY A 45 -9.604 17.028 15.749 1.00 3.10 O ATOM 0 H GLY A 45 -7.926 14.760 13.967 1.00 3.17 H new ATOM 0 HA2 GLY A 45 -7.557 17.278 14.294 1.00 4.04 H new ATOM 0 HA3 GLY A 45 -8.547 17.439 12.857 1.00 4.04 H new ATOM 652 N MET A 46 -10.663 16.169 13.945 1.00 4.20 N ATOM 653 CA MET A 46 -11.930 15.993 14.634 1.00 5.29 C ATOM 654 C MET A 46 -12.195 14.514 14.923 1.00 5.94 C ATOM 655 O MET A 46 -12.832 13.826 14.126 1.00 7.30 O ATOM 656 CB MET A 46 -13.062 16.557 13.772 1.00 7.38 C ATOM 657 CG MET A 46 -13.394 17.995 14.177 1.00 7.91 C ATOM 658 SD MET A 46 -14.400 17.997 15.651 1.00 8.40 S ATOM 659 CE MET A 46 -13.687 19.390 16.510 1.00 7.93 C ATOM 0 H MET A 46 -10.665 15.877 12.968 1.00 4.20 H new ATOM 0 HA MET A 46 -11.884 16.527 15.583 1.00 5.29 H new ATOM 0 HB2 MET A 46 -12.773 16.529 12.721 1.00 7.38 H new ATOM 0 HB3 MET A 46 -13.949 15.932 13.876 1.00 7.38 H new ATOM 0 HG2 MET A 46 -12.475 18.553 14.353 1.00 7.91 H new ATOM 0 HG3 MET A 46 -13.921 18.497 13.366 1.00 7.91 H new ATOM 0 HE1 MET A 46 -14.202 19.534 17.460 1.00 7.93 H new ATOM 0 HE2 MET A 46 -12.630 19.201 16.695 1.00 7.93 H new ATOM 0 HE3 MET A 46 -13.793 20.287 15.900 1.00 7.93 H new ATOM 669 N GLU A 47 -11.696 14.069 16.066 1.00 5.65 N ATOM 670 CA GLU A 47 -11.871 12.684 16.471 1.00 7.29 C ATOM 671 C GLU A 47 -11.723 11.756 15.263 1.00 7.63 C ATOM 672 O GLU A 47 -12.716 11.276 14.719 1.00 9.29 O ATOM 673 CB GLU A 47 -13.223 12.481 17.157 1.00 9.20 C ATOM 674 CG GLU A 47 -13.065 11.687 18.455 1.00 10.55 C ATOM 675 CD GLU A 47 -13.849 10.374 18.395 1.00 12.51 C ATOM 676 OE1 GLU A 47 -15.084 10.393 18.294 1.00 13.67 O ATOM 677 OE2 GLU A 47 -13.127 9.306 18.454 1.00 13.02 O ATOM 0 H GLU A 47 -11.170 14.643 16.725 1.00 5.65 H new ATOM 0 HA GLU A 47 -11.094 12.435 17.193 1.00 7.29 H new ATOM 0 HB2 GLU A 47 -13.675 13.449 17.372 1.00 9.20 H new ATOM 0 HB3 GLU A 47 -13.901 11.955 16.485 1.00 9.20 H new ATOM 0 HG2 GLU A 47 -12.010 11.477 18.630 1.00 10.55 H new ATOM 0 HG3 GLU A 47 -13.415 12.285 19.296 1.00 10.55 H new ATOM 684 N HIS A 48 -10.475 11.529 14.881 1.00 6.24 N ATOM 685 CA HIS A 48 -10.184 10.666 13.748 1.00 6.36 C ATOM 686 C HIS A 48 -8.677 10.414 13.668 1.00 4.71 C ATOM 687 O HIS A 48 -7.976 11.066 12.895 1.00 5.12 O ATOM 688 CB HIS A 48 -10.757 11.254 12.457 1.00 8.07 C ATOM 689 CG HIS A 48 -12.013 10.568 11.974 1.00 9.98 C ATOM 690 ND1 HIS A 48 -12.080 9.207 11.736 1.00 10.86 N ATOM 691 CD2 HIS A 48 -13.249 11.070 11.688 1.00 11.54 C ATOM 692 CE1 HIS A 48 -13.304 8.913 11.325 1.00 12.66 C ATOM 693 NE2 HIS A 48 -14.027 10.070 11.296 1.00 13.03 N ATOM 0 H HIS A 48 -9.653 11.928 15.336 1.00 6.24 H new ATOM 0 HA HIS A 48 -10.671 9.701 13.887 1.00 6.36 H new ATOM 0 HB2 HIS A 48 -10.970 12.311 12.615 1.00 8.07 H new ATOM 0 HB3 HIS A 48 -10.000 11.195 11.675 1.00 8.07 H new ATOM 0 HD2 HIS A 48 -13.544 12.106 11.767 1.00 11.54 H new ATOM 0 HE1 HIS A 48 -13.666 7.931 11.060 1.00 12.66 H new ATOM 0 HE2 HIS A 48 -15.005 10.152 11.018 1.00 13.03 H new ATOM 701 N SER A 49 -8.224 9.468 14.477 1.00 3.48 N ATOM 702 CA SER A 49 -6.813 9.123 14.508 1.00 1.98 C ATOM 703 C SER A 49 -6.506 8.080 13.431 1.00 1.32 C ATOM 704 O SER A 49 -7.389 7.328 13.020 1.00 1.33 O ATOM 705 CB SER A 49 -6.404 8.600 15.885 1.00 1.78 C ATOM 706 OG SER A 49 -7.044 7.366 16.200 1.00 3.00 O ATOM 0 H SER A 49 -8.809 8.930 15.116 1.00 3.48 H new ATOM 0 HA SER A 49 -6.236 10.025 14.306 1.00 1.98 H new ATOM 0 HB2 SER A 49 -5.323 8.465 15.915 1.00 1.78 H new ATOM 0 HB3 SER A 49 -6.654 9.342 16.643 1.00 1.78 H new ATOM 0 HG SER A 49 -6.755 7.065 17.087 1.00 3.00 H new ATOM 712 N PRO A 50 -5.219 8.068 12.992 1.00 1.22 N ATOM 713 CA PRO A 50 -4.786 7.130 11.971 1.00 1.11 C ATOM 714 C PRO A 50 -4.639 5.720 12.548 1.00 1.19 C ATOM 715 O PRO A 50 -3.864 5.504 13.479 1.00 1.47 O ATOM 716 CB PRO A 50 -3.476 7.696 11.447 1.00 1.66 C ATOM 717 CG PRO A 50 -2.990 8.672 12.507 1.00 2.03 C ATOM 718 CD PRO A 50 -4.147 8.944 13.455 1.00 1.81 C ATOM 0 HA PRO A 50 -5.510 7.024 11.164 1.00 1.11 H new ATOM 0 HB2 PRO A 50 -2.746 6.903 11.282 1.00 1.66 H new ATOM 0 HB3 PRO A 50 -3.622 8.199 10.491 1.00 1.66 H new ATOM 0 HG2 PRO A 50 -2.142 8.255 13.050 1.00 2.03 H new ATOM 0 HG3 PRO A 50 -2.649 9.599 12.045 1.00 2.03 H new ATOM 0 HD2 PRO A 50 -3.874 8.724 14.487 1.00 1.81 H new ATOM 0 HD3 PRO A 50 -4.449 9.991 13.422 1.00 1.81 H new ATOM 726 N MET A 51 -5.395 4.798 11.971 1.00 1.11 N ATOM 727 CA MET A 51 -5.359 3.415 12.418 1.00 1.36 C ATOM 728 C MET A 51 -5.024 2.474 11.259 1.00 1.23 C ATOM 729 O MET A 51 -5.250 2.808 10.097 1.00 1.49 O ATOM 730 CB MET A 51 -6.718 3.033 13.008 1.00 1.67 C ATOM 731 CG MET A 51 -6.750 3.281 14.517 1.00 2.21 C ATOM 732 SD MET A 51 -8.214 2.549 15.227 1.00 2.40 S ATOM 733 CE MET A 51 -7.465 1.375 16.343 1.00 4.06 C ATOM 0 H MET A 51 -6.036 4.981 11.199 1.00 1.11 H new ATOM 0 HA MET A 51 -4.583 3.318 13.177 1.00 1.36 H new ATOM 0 HB2 MET A 51 -7.504 3.612 12.524 1.00 1.67 H new ATOM 0 HB3 MET A 51 -6.925 1.982 12.804 1.00 1.67 H new ATOM 0 HG2 MET A 51 -5.860 2.857 14.982 1.00 2.21 H new ATOM 0 HG3 MET A 51 -6.735 4.352 14.718 1.00 2.21 H new ATOM 0 HE1 MET A 51 -8.245 0.827 16.872 1.00 4.06 H new ATOM 0 HE2 MET A 51 -6.851 0.675 15.776 1.00 4.06 H new ATOM 0 HE3 MET A 51 -6.841 1.904 17.063 1.00 4.06 H new ATOM 743 N ALA A 52 -4.488 1.316 11.616 1.00 0.99 N ATOM 744 CA ALA A 52 -4.118 0.324 10.620 1.00 0.87 C ATOM 745 C ALA A 52 -5.327 -0.565 10.319 1.00 0.83 C ATOM 746 O ALA A 52 -6.197 -0.745 11.169 1.00 0.89 O ATOM 747 CB ALA A 52 -2.914 -0.478 11.119 1.00 1.01 C ATOM 0 H ALA A 52 -4.301 1.042 12.581 1.00 0.99 H new ATOM 0 HA ALA A 52 -3.823 0.807 9.688 1.00 0.87 H new ATOM 0 HB1 ALA A 52 -2.637 -1.222 10.372 1.00 1.01 H new ATOM 0 HB2 ALA A 52 -2.074 0.195 11.290 1.00 1.01 H new ATOM 0 HB3 ALA A 52 -3.172 -0.980 12.052 1.00 1.01 H new ATOM 753 N VAL A 53 -5.342 -1.097 9.105 1.00 0.76 N ATOM 754 CA VAL A 53 -6.429 -1.963 8.681 1.00 0.75 C ATOM 755 C VAL A 53 -5.904 -3.390 8.517 1.00 0.75 C ATOM 756 O VAL A 53 -4.697 -3.604 8.420 1.00 0.91 O ATOM 757 CB VAL A 53 -7.070 -1.411 7.407 1.00 0.73 C ATOM 758 CG1 VAL A 53 -6.236 -1.767 6.174 1.00 0.70 C ATOM 759 CG2 VAL A 53 -8.509 -1.910 7.258 1.00 0.81 C ATOM 0 H VAL A 53 -4.619 -0.945 8.402 1.00 0.76 H new ATOM 0 HA VAL A 53 -7.213 -1.991 9.438 1.00 0.75 H new ATOM 0 HB VAL A 53 -7.098 -0.324 7.490 1.00 0.73 H new ATOM 0 HG11 VAL A 53 -6.714 -1.362 5.282 1.00 0.70 H new ATOM 0 HG12 VAL A 53 -5.238 -1.342 6.275 1.00 0.70 H new ATOM 0 HG13 VAL A 53 -6.161 -2.851 6.086 1.00 0.70 H new ATOM 0 HG21 VAL A 53 -8.942 -1.503 6.344 1.00 0.81 H new ATOM 0 HG22 VAL A 53 -8.513 -2.999 7.208 1.00 0.81 H new ATOM 0 HG23 VAL A 53 -9.098 -1.584 8.115 1.00 0.81 H new ATOM 769 N LYS A 54 -6.837 -4.330 8.491 1.00 0.67 N ATOM 770 CA LYS A 54 -6.484 -5.732 8.339 1.00 0.70 C ATOM 771 C LYS A 54 -6.388 -6.072 6.851 1.00 0.63 C ATOM 772 O LYS A 54 -7.407 -6.198 6.173 1.00 0.74 O ATOM 773 CB LYS A 54 -7.463 -6.618 9.111 1.00 0.79 C ATOM 774 CG LYS A 54 -6.870 -7.052 10.453 1.00 2.11 C ATOM 775 CD LYS A 54 -7.837 -7.966 11.210 1.00 2.28 C ATOM 776 CE LYS A 54 -7.079 -9.053 11.974 1.00 3.56 C ATOM 777 NZ LYS A 54 -7.892 -10.288 12.060 1.00 3.74 N ATOM 0 H LYS A 54 -7.837 -4.149 8.573 1.00 0.67 H new ATOM 0 HA LYS A 54 -5.504 -5.927 8.774 1.00 0.70 H new ATOM 0 HB2 LYS A 54 -8.394 -6.077 9.279 1.00 0.79 H new ATOM 0 HB3 LYS A 54 -7.709 -7.498 8.517 1.00 0.79 H new ATOM 0 HG2 LYS A 54 -5.927 -7.573 10.287 1.00 2.11 H new ATOM 0 HG3 LYS A 54 -6.647 -6.173 11.057 1.00 2.11 H new ATOM 0 HD2 LYS A 54 -8.432 -7.375 11.906 1.00 2.28 H new ATOM 0 HD3 LYS A 54 -8.532 -8.427 10.508 1.00 2.28 H new ATOM 0 HE2 LYS A 54 -6.134 -9.266 11.474 1.00 3.56 H new ATOM 0 HE3 LYS A 54 -6.836 -8.700 12.976 1.00 3.56 H new ATOM 0 HZ1 LYS A 54 -7.363 -11.016 12.582 1.00 3.74 H new ATOM 0 HZ2 LYS A 54 -8.782 -10.084 12.557 1.00 3.74 H new ATOM 0 HZ3 LYS A 54 -8.102 -10.633 11.102 1.00 3.74 H new ATOM 791 N ALA A 55 -5.155 -6.210 6.385 1.00 0.63 N ATOM 792 CA ALA A 55 -4.914 -6.532 4.990 1.00 0.57 C ATOM 793 C ALA A 55 -3.776 -7.550 4.896 1.00 0.56 C ATOM 794 O ALA A 55 -3.093 -7.817 5.883 1.00 0.65 O ATOM 795 CB ALA A 55 -4.613 -5.248 4.213 1.00 0.57 C ATOM 0 H ALA A 55 -4.312 -6.104 6.950 1.00 0.63 H new ATOM 0 HA ALA A 55 -5.799 -6.984 4.542 1.00 0.57 H new ATOM 0 HB1 ALA A 55 -4.432 -5.490 3.166 1.00 0.57 H new ATOM 0 HB2 ALA A 55 -5.463 -4.570 4.287 1.00 0.57 H new ATOM 0 HB3 ALA A 55 -3.729 -4.768 4.632 1.00 0.57 H new ATOM 801 N ALA A 56 -3.608 -8.093 3.698 1.00 0.51 N ATOM 802 CA ALA A 56 -2.564 -9.076 3.462 1.00 0.55 C ATOM 803 C ALA A 56 -1.842 -8.743 2.155 1.00 0.49 C ATOM 804 O ALA A 56 -2.477 -8.380 1.166 1.00 0.50 O ATOM 805 CB ALA A 56 -3.177 -10.478 3.450 1.00 0.63 C ATOM 0 H ALA A 56 -4.177 -7.871 2.881 1.00 0.51 H new ATOM 0 HA ALA A 56 -1.824 -9.051 4.262 1.00 0.55 H new ATOM 0 HB1 ALA A 56 -2.394 -11.216 3.273 1.00 0.63 H new ATOM 0 HB2 ALA A 56 -3.652 -10.676 4.411 1.00 0.63 H new ATOM 0 HB3 ALA A 56 -3.922 -10.542 2.657 1.00 0.63 H new ATOM 811 N VAL A 57 -0.525 -8.881 2.192 1.00 0.51 N ATOM 812 CA VAL A 57 0.290 -8.600 1.022 1.00 0.47 C ATOM 813 C VAL A 57 0.695 -9.918 0.360 1.00 0.51 C ATOM 814 O VAL A 57 1.302 -10.777 0.998 1.00 0.60 O ATOM 815 CB VAL A 57 1.490 -7.735 1.416 1.00 0.52 C ATOM 816 CG1 VAL A 57 2.198 -8.307 2.646 1.00 1.83 C ATOM 817 CG2 VAL A 57 2.462 -7.581 0.245 1.00 2.02 C ATOM 0 H VAL A 57 -0.002 -9.184 3.014 1.00 0.51 H new ATOM 0 HA VAL A 57 -0.279 -8.029 0.288 1.00 0.47 H new ATOM 0 HB VAL A 57 1.118 -6.744 1.675 1.00 0.52 H new ATOM 0 HG11 VAL A 57 3.047 -7.674 2.905 1.00 1.83 H new ATOM 0 HG12 VAL A 57 1.502 -8.341 3.484 1.00 1.83 H new ATOM 0 HG13 VAL A 57 2.551 -9.315 2.427 1.00 1.83 H new ATOM 0 HG21 VAL A 57 3.305 -6.962 0.551 1.00 2.02 H new ATOM 0 HG22 VAL A 57 2.824 -8.563 -0.059 1.00 2.02 H new ATOM 0 HG23 VAL A 57 1.950 -7.108 -0.593 1.00 2.02 H new ATOM 827 N SER A 58 0.343 -10.037 -0.912 1.00 0.49 N ATOM 828 CA SER A 58 0.661 -11.236 -1.669 1.00 0.56 C ATOM 829 C SER A 58 1.477 -10.869 -2.910 1.00 0.59 C ATOM 830 O SER A 58 1.696 -9.691 -3.189 1.00 1.08 O ATOM 831 CB SER A 58 -0.609 -11.988 -2.070 1.00 0.72 C ATOM 832 OG SER A 58 -1.204 -12.658 -0.963 1.00 1.03 O ATOM 0 H SER A 58 -0.160 -9.322 -1.438 1.00 0.49 H new ATOM 0 HA SER A 58 1.254 -11.895 -1.034 1.00 0.56 H new ATOM 0 HB2 SER A 58 -1.326 -11.287 -2.497 1.00 0.72 H new ATOM 0 HB3 SER A 58 -0.370 -12.714 -2.848 1.00 0.72 H new ATOM 0 HG SER A 58 -2.013 -13.125 -1.260 1.00 1.03 H new ATOM 838 N GLY A 59 1.905 -11.901 -3.624 1.00 0.66 N ATOM 839 CA GLY A 59 2.691 -11.703 -4.829 1.00 0.63 C ATOM 840 C GLY A 59 2.164 -12.567 -5.977 1.00 0.81 C ATOM 841 O GLY A 59 1.596 -13.633 -5.744 1.00 1.04 O ATOM 0 H GLY A 59 1.722 -12.877 -3.390 1.00 0.66 H new ATOM 0 HA2 GLY A 59 2.662 -10.652 -5.117 1.00 0.63 H new ATOM 0 HA3 GLY A 59 3.734 -11.951 -4.632 1.00 0.63 H new ATOM 845 N GLY A 60 2.370 -12.075 -7.189 1.00 0.82 N ATOM 846 CA GLY A 60 1.923 -12.789 -8.373 1.00 1.07 C ATOM 847 C GLY A 60 2.913 -13.893 -8.754 1.00 1.16 C ATOM 848 O GLY A 60 3.496 -13.860 -9.836 1.00 2.07 O ATOM 0 H GLY A 60 2.841 -11.190 -7.377 1.00 0.82 H new ATOM 0 HA2 GLY A 60 0.940 -13.224 -8.190 1.00 1.07 H new ATOM 0 HA3 GLY A 60 1.814 -12.091 -9.203 1.00 1.07 H new ATOM 852 N GLY A 61 3.072 -14.842 -7.844 1.00 2.20 N ATOM 853 CA GLY A 61 3.980 -15.952 -8.072 1.00 2.52 C ATOM 854 C GLY A 61 5.437 -15.506 -7.932 1.00 2.32 C ATOM 855 O GLY A 61 6.189 -16.069 -7.138 1.00 2.97 O ATOM 0 H GLY A 61 2.587 -14.865 -6.947 1.00 2.20 H new ATOM 0 HA2 GLY A 61 3.770 -16.750 -7.360 1.00 2.52 H new ATOM 0 HA3 GLY A 61 3.816 -16.362 -9.068 1.00 2.52 H new ATOM 859 N ASP A 62 5.792 -14.499 -8.717 1.00 1.67 N ATOM 860 CA ASP A 62 7.145 -13.970 -8.690 1.00 1.41 C ATOM 861 C ASP A 62 7.281 -12.984 -7.529 1.00 1.13 C ATOM 862 O ASP A 62 6.324 -12.293 -7.181 1.00 1.00 O ATOM 863 CB ASP A 62 7.470 -13.223 -9.985 1.00 1.37 C ATOM 864 CG ASP A 62 7.555 -14.102 -11.235 1.00 1.82 C ATOM 865 OD1 ASP A 62 6.563 -14.717 -11.653 1.00 2.75 O ATOM 866 OD2 ASP A 62 8.717 -14.143 -11.794 1.00 2.20 O ATOM 0 H ASP A 62 5.166 -14.036 -9.376 1.00 1.67 H new ATOM 0 HA ASP A 62 7.832 -14.809 -8.575 1.00 1.41 H new ATOM 0 HB2 ASP A 62 6.709 -12.460 -10.147 1.00 1.37 H new ATOM 0 HB3 ASP A 62 8.420 -12.704 -9.859 1.00 1.37 H new ATOM 871 N PRO A 63 8.508 -12.948 -6.945 1.00 1.13 N ATOM 872 CA PRO A 63 8.782 -12.058 -5.830 1.00 1.02 C ATOM 873 C PRO A 63 8.928 -10.611 -6.307 1.00 0.83 C ATOM 874 O PRO A 63 9.157 -9.709 -5.503 1.00 0.89 O ATOM 875 CB PRO A 63 10.048 -12.604 -5.191 1.00 1.24 C ATOM 876 CG PRO A 63 10.694 -13.494 -6.240 1.00 1.36 C ATOM 877 CD PRO A 63 9.665 -13.752 -7.330 1.00 1.32 C ATOM 0 HA PRO A 63 7.968 -12.029 -5.105 1.00 1.02 H new ATOM 0 HB2 PRO A 63 10.718 -11.795 -4.899 1.00 1.24 H new ATOM 0 HB3 PRO A 63 9.817 -13.169 -4.288 1.00 1.24 H new ATOM 0 HG2 PRO A 63 11.579 -13.013 -6.657 1.00 1.36 H new ATOM 0 HG3 PRO A 63 11.022 -14.433 -5.794 1.00 1.36 H new ATOM 0 HD2 PRO A 63 10.043 -13.458 -8.309 1.00 1.32 H new ATOM 0 HD3 PRO A 63 9.410 -14.810 -7.391 1.00 1.32 H new ATOM 885 N LYS A 64 8.790 -10.436 -7.612 1.00 0.78 N ATOM 886 CA LYS A 64 8.904 -9.114 -8.206 1.00 0.79 C ATOM 887 C LYS A 64 7.521 -8.462 -8.258 1.00 0.74 C ATOM 888 O LYS A 64 7.395 -7.251 -8.084 1.00 0.78 O ATOM 889 CB LYS A 64 9.597 -9.196 -9.567 1.00 0.97 C ATOM 890 CG LYS A 64 8.715 -9.916 -10.589 1.00 1.17 C ATOM 891 CD LYS A 64 9.563 -10.569 -11.683 1.00 1.96 C ATOM 892 CE LYS A 64 9.183 -10.034 -13.064 1.00 1.72 C ATOM 893 NZ LYS A 64 10.229 -10.371 -14.056 1.00 2.47 N ATOM 0 H LYS A 64 8.600 -11.187 -8.276 1.00 0.78 H new ATOM 0 HA LYS A 64 9.536 -8.473 -7.591 1.00 0.79 H new ATOM 0 HB2 LYS A 64 9.827 -8.192 -9.923 1.00 0.97 H new ATOM 0 HB3 LYS A 64 10.546 -9.723 -9.465 1.00 0.97 H new ATOM 0 HG2 LYS A 64 8.116 -10.675 -10.087 1.00 1.17 H new ATOM 0 HG3 LYS A 64 8.019 -9.207 -11.038 1.00 1.17 H new ATOM 0 HD2 LYS A 64 10.619 -10.377 -11.493 1.00 1.96 H new ATOM 0 HD3 LYS A 64 9.426 -11.650 -11.658 1.00 1.96 H new ATOM 0 HE2 LYS A 64 8.228 -10.458 -13.375 1.00 1.72 H new ATOM 0 HE3 LYS A 64 9.052 -8.953 -13.018 1.00 1.72 H new ATOM 0 HZ1 LYS A 64 9.955 -10.000 -14.988 1.00 2.47 H new ATOM 0 HZ2 LYS A 64 11.133 -9.946 -13.766 1.00 2.47 H new ATOM 0 HZ3 LYS A 64 10.335 -11.404 -14.112 1.00 2.47 H new ATOM 907 N THR A 65 6.518 -9.294 -8.498 1.00 0.76 N ATOM 908 CA THR A 65 5.149 -8.814 -8.576 1.00 0.78 C ATOM 909 C THR A 65 4.483 -8.876 -7.199 1.00 0.61 C ATOM 910 O THR A 65 4.603 -9.876 -6.493 1.00 0.61 O ATOM 911 CB THR A 65 4.420 -9.634 -9.641 1.00 0.97 C ATOM 912 OG1 THR A 65 4.970 -9.172 -10.872 1.00 1.21 O ATOM 913 CG2 THR A 65 2.935 -9.276 -9.741 1.00 0.96 C ATOM 0 H THR A 65 6.626 -10.298 -8.641 1.00 0.76 H new ATOM 0 HA THR A 65 5.114 -7.766 -8.873 1.00 0.78 H new ATOM 0 HB THR A 65 4.524 -10.695 -9.415 1.00 0.97 H new ATOM 0 HG1 THR A 65 4.755 -8.223 -10.991 1.00 1.21 H new ATOM 0 HG21 THR A 65 2.465 -9.887 -10.512 1.00 0.96 H new ATOM 0 HG22 THR A 65 2.450 -9.464 -8.783 1.00 0.96 H new ATOM 0 HG23 THR A 65 2.831 -8.222 -10.000 1.00 0.96 H new ATOM 921 N MET A 66 3.797 -7.795 -6.859 1.00 0.73 N ATOM 922 CA MET A 66 3.112 -7.715 -5.581 1.00 0.60 C ATOM 923 C MET A 66 1.659 -7.273 -5.764 1.00 0.53 C ATOM 924 O MET A 66 1.339 -6.554 -6.710 1.00 0.58 O ATOM 925 CB MET A 66 3.838 -6.719 -4.674 1.00 0.64 C ATOM 926 CG MET A 66 4.531 -7.439 -3.515 1.00 0.69 C ATOM 927 SD MET A 66 5.737 -8.593 -4.146 1.00 1.60 S ATOM 928 CE MET A 66 6.660 -7.517 -5.231 1.00 1.07 C ATOM 0 H MET A 66 3.701 -6.967 -7.447 1.00 0.73 H new ATOM 0 HA MET A 66 3.116 -8.705 -5.125 1.00 0.60 H new ATOM 0 HB2 MET A 66 4.574 -6.163 -5.254 1.00 0.64 H new ATOM 0 HB3 MET A 66 3.126 -5.992 -4.282 1.00 0.64 H new ATOM 0 HG2 MET A 66 5.017 -6.713 -2.863 1.00 0.69 H new ATOM 0 HG3 MET A 66 3.793 -7.966 -2.910 1.00 0.69 H new ATOM 0 HE1 MET A 66 7.602 -7.994 -5.501 1.00 1.07 H new ATOM 0 HE2 MET A 66 6.079 -7.324 -6.133 1.00 1.07 H new ATOM 0 HE3 MET A 66 6.863 -6.575 -4.722 1.00 1.07 H new ATOM 938 N VAL A 67 0.817 -7.721 -4.844 1.00 0.47 N ATOM 939 CA VAL A 67 -0.595 -7.381 -4.893 1.00 0.42 C ATOM 940 C VAL A 67 -1.166 -7.390 -3.473 1.00 0.42 C ATOM 941 O VAL A 67 -1.060 -8.389 -2.764 1.00 0.45 O ATOM 942 CB VAL A 67 -1.330 -8.332 -5.839 1.00 0.47 C ATOM 943 CG1 VAL A 67 -1.531 -7.691 -7.213 1.00 1.81 C ATOM 944 CG2 VAL A 67 -0.593 -9.666 -5.958 1.00 1.66 C ATOM 0 H VAL A 67 1.085 -8.316 -4.061 1.00 0.47 H new ATOM 0 HA VAL A 67 -0.733 -6.376 -5.293 1.00 0.42 H new ATOM 0 HB VAL A 67 -2.314 -8.531 -5.415 1.00 0.47 H new ATOM 0 HG11 VAL A 67 -2.056 -8.388 -7.866 1.00 1.81 H new ATOM 0 HG12 VAL A 67 -2.120 -6.780 -7.107 1.00 1.81 H new ATOM 0 HG13 VAL A 67 -0.561 -7.448 -7.646 1.00 1.81 H new ATOM 0 HG21 VAL A 67 -1.137 -10.323 -6.636 1.00 1.66 H new ATOM 0 HG22 VAL A 67 0.411 -9.494 -6.347 1.00 1.66 H new ATOM 0 HG23 VAL A 67 -0.526 -10.134 -4.976 1.00 1.66 H new ATOM 954 N ILE A 68 -1.759 -6.265 -3.101 1.00 0.43 N ATOM 955 CA ILE A 68 -2.347 -6.131 -1.779 1.00 0.44 C ATOM 956 C ILE A 68 -3.834 -6.481 -1.848 1.00 0.44 C ATOM 957 O ILE A 68 -4.592 -5.845 -2.579 1.00 0.45 O ATOM 958 CB ILE A 68 -2.069 -4.738 -1.208 1.00 0.46 C ATOM 959 CG1 ILE A 68 -0.928 -4.780 -0.191 1.00 0.52 C ATOM 960 CG2 ILE A 68 -3.340 -4.124 -0.618 1.00 0.55 C ATOM 961 CD1 ILE A 68 0.433 -4.775 -0.892 1.00 0.50 C ATOM 0 H ILE A 68 -1.845 -5.438 -3.692 1.00 0.43 H new ATOM 0 HA ILE A 68 -1.886 -6.834 -1.085 1.00 0.44 H new ATOM 0 HB ILE A 68 -1.748 -4.092 -2.025 1.00 0.46 H new ATOM 0 HG12 ILE A 68 -1.000 -3.922 0.477 1.00 0.52 H new ATOM 0 HG13 ILE A 68 -1.020 -5.673 0.427 1.00 0.52 H new ATOM 0 HG21 ILE A 68 -3.115 -3.135 -0.219 1.00 0.55 H new ATOM 0 HG22 ILE A 68 -4.098 -4.038 -1.397 1.00 0.55 H new ATOM 0 HG23 ILE A 68 -3.714 -4.762 0.183 1.00 0.55 H new ATOM 0 HD11 ILE A 68 1.227 -4.805 -0.146 1.00 0.50 H new ATOM 0 HD12 ILE A 68 0.511 -5.647 -1.541 1.00 0.50 H new ATOM 0 HD13 ILE A 68 0.531 -3.869 -1.489 1.00 0.50 H new ATOM 973 N THR A 69 -4.208 -7.493 -1.079 1.00 0.48 N ATOM 974 CA THR A 69 -5.591 -7.936 -1.044 1.00 0.52 C ATOM 975 C THR A 69 -6.111 -7.952 0.395 1.00 0.53 C ATOM 976 O THR A 69 -5.909 -8.923 1.121 1.00 0.69 O ATOM 977 CB THR A 69 -5.668 -9.300 -1.733 1.00 0.57 C ATOM 978 OG1 THR A 69 -6.290 -9.022 -2.985 1.00 0.61 O ATOM 979 CG2 THR A 69 -6.642 -10.253 -1.036 1.00 0.58 C ATOM 0 H THR A 69 -3.577 -8.019 -0.475 1.00 0.48 H new ATOM 0 HA THR A 69 -6.240 -7.246 -1.583 1.00 0.52 H new ATOM 0 HB THR A 69 -4.676 -9.750 -1.760 1.00 0.57 H new ATOM 0 HG1 THR A 69 -6.378 -9.852 -3.498 1.00 0.61 H new ATOM 0 HG21 THR A 69 -6.659 -11.206 -1.564 1.00 0.58 H new ATOM 0 HG22 THR A 69 -6.320 -10.414 -0.007 1.00 0.58 H new ATOM 0 HG23 THR A 69 -7.642 -9.818 -1.039 1.00 0.58 H new ATOM 987 N PRO A 70 -6.787 -6.835 0.774 1.00 0.45 N ATOM 988 CA PRO A 70 -7.337 -6.711 2.114 1.00 0.49 C ATOM 989 C PRO A 70 -8.594 -7.568 2.271 1.00 0.43 C ATOM 990 O PRO A 70 -9.454 -7.582 1.392 1.00 0.47 O ATOM 991 CB PRO A 70 -7.604 -5.226 2.294 1.00 0.64 C ATOM 992 CG PRO A 70 -7.632 -4.634 0.894 1.00 0.67 C ATOM 993 CD PRO A 70 -7.046 -5.663 -0.059 1.00 0.50 C ATOM 0 HA PRO A 70 -6.657 -7.075 2.884 1.00 0.49 H new ATOM 0 HB2 PRO A 70 -8.551 -5.059 2.808 1.00 0.64 H new ATOM 0 HB3 PRO A 70 -6.827 -4.760 2.899 1.00 0.64 H new ATOM 0 HG2 PRO A 70 -8.653 -4.384 0.605 1.00 0.67 H new ATOM 0 HG3 PRO A 70 -7.056 -3.709 0.859 1.00 0.67 H new ATOM 0 HD2 PRO A 70 -7.741 -5.896 -0.866 1.00 0.50 H new ATOM 0 HD3 PRO A 70 -6.130 -5.297 -0.523 1.00 0.50 H new ATOM 1001 N ALA A 71 -8.661 -8.263 3.398 1.00 0.50 N ATOM 1002 CA ALA A 71 -9.799 -9.120 3.682 1.00 0.59 C ATOM 1003 C ALA A 71 -11.018 -8.254 4.001 1.00 0.60 C ATOM 1004 O ALA A 71 -12.152 -8.651 3.741 1.00 0.80 O ATOM 1005 CB ALA A 71 -9.446 -10.074 4.825 1.00 0.74 C ATOM 0 H ALA A 71 -7.945 -8.250 4.125 1.00 0.50 H new ATOM 0 HA ALA A 71 -10.047 -9.729 2.813 1.00 0.59 H new ATOM 0 HB1 ALA A 71 -10.300 -10.717 5.039 1.00 0.74 H new ATOM 0 HB2 ALA A 71 -8.592 -10.687 4.536 1.00 0.74 H new ATOM 0 HB3 ALA A 71 -9.194 -9.498 5.715 1.00 0.74 H new ATOM 1011 N SER A 72 -10.743 -7.084 4.561 1.00 0.59 N ATOM 1012 CA SER A 72 -11.804 -6.157 4.918 1.00 0.79 C ATOM 1013 C SER A 72 -12.024 -5.151 3.787 1.00 0.80 C ATOM 1014 O SER A 72 -11.064 -4.655 3.198 1.00 0.80 O ATOM 1015 CB SER A 72 -11.481 -5.427 6.223 1.00 0.94 C ATOM 1016 OG SER A 72 -12.615 -5.337 7.080 1.00 1.16 O ATOM 0 H SER A 72 -9.801 -6.757 4.776 1.00 0.59 H new ATOM 0 HA SER A 72 -12.720 -6.728 5.070 1.00 0.79 H new ATOM 0 HB2 SER A 72 -10.676 -5.949 6.741 1.00 0.94 H new ATOM 0 HB3 SER A 72 -11.117 -4.425 5.997 1.00 0.94 H new ATOM 0 HG SER A 72 -12.367 -4.866 7.903 1.00 1.16 H new ATOM 1022 N PRO A 73 -13.325 -4.873 3.510 1.00 0.83 N ATOM 1023 CA PRO A 73 -13.682 -3.935 2.459 1.00 0.87 C ATOM 1024 C PRO A 73 -13.432 -2.492 2.904 1.00 0.86 C ATOM 1025 O PRO A 73 -13.868 -2.086 3.980 1.00 0.85 O ATOM 1026 CB PRO A 73 -15.145 -4.219 2.159 1.00 0.92 C ATOM 1027 CG PRO A 73 -15.678 -4.978 3.363 1.00 0.92 C ATOM 1028 CD PRO A 73 -14.487 -5.441 4.186 1.00 0.86 C ATOM 0 HA PRO A 73 -13.074 -4.056 1.562 1.00 0.87 H new ATOM 0 HB2 PRO A 73 -15.699 -3.293 2.005 1.00 0.92 H new ATOM 0 HB3 PRO A 73 -15.250 -4.809 1.248 1.00 0.92 H new ATOM 0 HG2 PRO A 73 -16.329 -4.339 3.960 1.00 0.92 H new ATOM 0 HG3 PRO A 73 -16.276 -5.831 3.042 1.00 0.92 H new ATOM 0 HD2 PRO A 73 -14.557 -5.090 5.216 1.00 0.86 H new ATOM 0 HD3 PRO A 73 -14.431 -6.529 4.223 1.00 0.86 H new ATOM 1036 N LEU A 74 -12.732 -1.757 2.051 1.00 0.90 N ATOM 1037 CA LEU A 74 -12.420 -0.369 2.343 1.00 0.93 C ATOM 1038 C LEU A 74 -13.666 0.490 2.116 1.00 0.95 C ATOM 1039 O LEU A 74 -14.159 0.589 0.993 1.00 1.02 O ATOM 1040 CB LEU A 74 -11.203 0.088 1.536 1.00 1.01 C ATOM 1041 CG LEU A 74 -9.924 -0.727 1.733 1.00 1.00 C ATOM 1042 CD1 LEU A 74 -8.928 -0.467 0.600 1.00 1.07 C ATOM 1043 CD2 LEU A 74 -9.309 -0.460 3.107 1.00 0.99 C ATOM 0 H LEU A 74 -12.373 -2.097 1.159 1.00 0.90 H new ATOM 0 HA LEU A 74 -12.141 -0.255 3.390 1.00 0.93 H new ATOM 0 HB2 LEU A 74 -11.465 0.067 0.478 1.00 1.01 H new ATOM 0 HB3 LEU A 74 -10.992 1.126 1.791 1.00 1.01 H new ATOM 0 HG LEU A 74 -10.185 -1.785 1.697 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -8.027 -1.059 0.764 1.00 1.07 H new ATOM 0 HD12 LEU A 74 -9.378 -0.748 -0.352 1.00 1.07 H new ATOM 0 HD13 LEU A 74 -8.668 0.591 0.580 1.00 1.07 H new ATOM 0 HD21 LEU A 74 -8.401 -1.052 3.221 1.00 0.99 H new ATOM 0 HD22 LEU A 74 -9.065 0.599 3.197 1.00 0.99 H new ATOM 0 HD23 LEU A 74 -10.022 -0.736 3.884 1.00 0.99 H new ATOM 1055 N THR A 75 -14.140 1.087 3.199 1.00 0.92 N ATOM 1056 CA THR A 75 -15.319 1.934 3.132 1.00 0.96 C ATOM 1057 C THR A 75 -14.929 3.364 2.754 1.00 0.94 C ATOM 1058 O THR A 75 -13.749 3.713 2.764 1.00 0.94 O ATOM 1059 CB THR A 75 -16.046 1.838 4.474 1.00 1.03 C ATOM 1060 OG1 THR A 75 -15.094 2.316 5.421 1.00 1.06 O ATOM 1061 CG2 THR A 75 -16.301 0.391 4.901 1.00 1.00 C ATOM 0 H THR A 75 -13.729 1.001 4.129 1.00 0.92 H new ATOM 0 HA THR A 75 -16.001 1.600 2.351 1.00 0.96 H new ATOM 0 HB THR A 75 -16.995 2.370 4.410 1.00 1.03 H new ATOM 0 HG1 THR A 75 -15.485 2.289 6.319 1.00 1.06 H new ATOM 0 HG21 THR A 75 -16.819 0.381 5.860 1.00 1.00 H new ATOM 0 HG22 THR A 75 -16.915 -0.107 4.151 1.00 1.00 H new ATOM 0 HG23 THR A 75 -15.350 -0.133 4.997 1.00 1.00 H new ATOM 1069 N ALA A 76 -15.941 4.153 2.427 1.00 0.93 N ATOM 1070 CA ALA A 76 -15.718 5.537 2.045 1.00 0.92 C ATOM 1071 C ALA A 76 -14.782 6.197 3.061 1.00 0.93 C ATOM 1072 O ALA A 76 -14.564 5.664 4.147 1.00 1.01 O ATOM 1073 CB ALA A 76 -17.063 6.259 1.937 1.00 0.96 C ATOM 0 H ALA A 76 -16.918 3.860 2.419 1.00 0.93 H new ATOM 0 HA ALA A 76 -15.238 5.594 1.068 1.00 0.92 H new ATOM 0 HB1 ALA A 76 -16.897 7.297 1.650 1.00 0.96 H new ATOM 0 HB2 ALA A 76 -17.680 5.769 1.183 1.00 0.96 H new ATOM 0 HB3 ALA A 76 -17.572 6.226 2.900 1.00 0.96 H new ATOM 1079 N GLY A 77 -14.255 7.348 2.669 1.00 0.91 N ATOM 1080 CA GLY A 77 -13.348 8.086 3.532 1.00 0.92 C ATOM 1081 C GLY A 77 -11.999 8.309 2.845 1.00 0.89 C ATOM 1082 O GLY A 77 -11.932 8.435 1.623 1.00 0.91 O ATOM 0 H GLY A 77 -14.438 7.787 1.767 1.00 0.91 H new ATOM 0 HA2 GLY A 77 -13.790 9.047 3.794 1.00 0.92 H new ATOM 0 HA3 GLY A 77 -13.200 7.539 4.463 1.00 0.92 H new ATOM 1086 N THR A 78 -10.956 8.350 3.660 1.00 0.87 N ATOM 1087 CA THR A 78 -9.612 8.555 3.147 1.00 0.84 C ATOM 1088 C THR A 78 -8.626 7.615 3.843 1.00 0.79 C ATOM 1089 O THR A 78 -8.619 7.513 5.069 1.00 0.90 O ATOM 1090 CB THR A 78 -9.261 10.035 3.315 1.00 0.90 C ATOM 1091 OG1 THR A 78 -9.732 10.641 2.115 1.00 1.13 O ATOM 1092 CG2 THR A 78 -7.752 10.286 3.293 1.00 1.20 C ATOM 0 H THR A 78 -11.014 8.245 4.673 1.00 0.87 H new ATOM 0 HA THR A 78 -9.553 8.310 2.086 1.00 0.84 H new ATOM 0 HB THR A 78 -9.675 10.402 4.254 1.00 0.90 H new ATOM 0 HG1 THR A 78 -10.410 10.066 1.702 1.00 1.13 H new ATOM 0 HG21 THR A 78 -7.559 11.352 3.416 1.00 1.20 H new ATOM 0 HG22 THR A 78 -7.280 9.735 4.106 1.00 1.20 H new ATOM 0 HG23 THR A 78 -7.341 9.950 2.341 1.00 1.20 H new ATOM 1100 N TYR A 79 -7.816 6.950 3.031 1.00 0.64 N ATOM 1101 CA TYR A 79 -6.828 6.022 3.554 1.00 0.58 C ATOM 1102 C TYR A 79 -5.472 6.226 2.876 1.00 0.54 C ATOM 1103 O TYR A 79 -5.365 6.975 1.905 1.00 0.60 O ATOM 1104 CB TYR A 79 -7.346 4.622 3.219 1.00 0.55 C ATOM 1105 CG TYR A 79 -8.730 4.317 3.798 1.00 0.67 C ATOM 1106 CD1 TYR A 79 -9.836 5.001 3.338 1.00 1.66 C ATOM 1107 CD2 TYR A 79 -8.871 3.356 4.779 1.00 1.93 C ATOM 1108 CE1 TYR A 79 -11.138 4.714 3.882 1.00 1.68 C ATOM 1109 CE2 TYR A 79 -10.172 3.069 5.323 1.00 2.05 C ATOM 1110 CZ TYR A 79 -11.242 3.761 4.847 1.00 0.98 C ATOM 1111 OH TYR A 79 -12.471 3.490 5.362 1.00 1.15 O ATOM 0 H TYR A 79 -7.824 7.036 2.015 1.00 0.64 H new ATOM 0 HA TYR A 79 -6.690 6.172 4.625 1.00 0.58 H new ATOM 0 HB2 TYR A 79 -7.383 4.509 2.136 1.00 0.55 H new ATOM 0 HB3 TYR A 79 -6.636 3.884 3.592 1.00 0.55 H new ATOM 0 HD1 TYR A 79 -9.725 5.752 2.570 1.00 1.66 H new ATOM 0 HD2 TYR A 79 -8.005 2.820 5.138 1.00 1.93 H new ATOM 0 HE1 TYR A 79 -12.012 5.243 3.532 1.00 1.68 H new ATOM 0 HE2 TYR A 79 -10.296 2.321 6.092 1.00 2.05 H new ATOM 0 HH TYR A 79 -13.140 3.520 4.646 1.00 1.15 H new ATOM 1121 N LYS A 80 -4.470 5.547 3.413 1.00 0.50 N ATOM 1122 CA LYS A 80 -3.124 5.644 2.872 1.00 0.51 C ATOM 1123 C LYS A 80 -2.413 4.299 3.039 1.00 0.47 C ATOM 1124 O LYS A 80 -2.255 3.812 4.157 1.00 0.46 O ATOM 1125 CB LYS A 80 -2.376 6.818 3.506 1.00 0.60 C ATOM 1126 CG LYS A 80 -0.958 6.934 2.941 1.00 1.31 C ATOM 1127 CD LYS A 80 0.086 6.593 4.006 1.00 2.29 C ATOM 1128 CE LYS A 80 1.086 7.739 4.181 1.00 2.47 C ATOM 1129 NZ LYS A 80 0.715 8.577 5.344 1.00 2.46 N ATOM 0 H LYS A 80 -4.562 4.927 4.218 1.00 0.50 H new ATOM 0 HA LYS A 80 -3.157 5.856 1.803 1.00 0.51 H new ATOM 0 HB2 LYS A 80 -2.922 7.744 3.322 1.00 0.60 H new ATOM 0 HB3 LYS A 80 -2.331 6.684 4.587 1.00 0.60 H new ATOM 0 HG2 LYS A 80 -0.846 6.263 2.089 1.00 1.31 H new ATOM 0 HG3 LYS A 80 -0.791 7.947 2.574 1.00 1.31 H new ATOM 0 HD2 LYS A 80 -0.410 6.391 4.955 1.00 2.29 H new ATOM 0 HD3 LYS A 80 0.616 5.683 3.723 1.00 2.29 H new ATOM 0 HE2 LYS A 80 2.089 7.336 4.321 1.00 2.47 H new ATOM 0 HE3 LYS A 80 1.110 8.349 3.278 1.00 2.47 H new ATOM 0 HZ1 LYS A 80 1.403 9.350 5.449 1.00 2.46 H new ATOM 0 HZ2 LYS A 80 -0.234 8.976 5.196 1.00 2.46 H new ATOM 0 HZ3 LYS A 80 0.715 7.995 6.206 1.00 2.46 H new ATOM 1143 N VAL A 81 -2.005 3.738 1.911 1.00 0.49 N ATOM 1144 CA VAL A 81 -1.315 2.459 1.917 1.00 0.47 C ATOM 1145 C VAL A 81 0.195 2.699 1.888 1.00 0.49 C ATOM 1146 O VAL A 81 0.715 3.292 0.944 1.00 0.53 O ATOM 1147 CB VAL A 81 -1.805 1.594 0.755 1.00 0.46 C ATOM 1148 CG1 VAL A 81 -1.200 0.191 0.823 1.00 0.58 C ATOM 1149 CG2 VAL A 81 -3.334 1.530 0.726 1.00 0.48 C ATOM 0 H VAL A 81 -2.139 4.146 0.986 1.00 0.49 H new ATOM 0 HA VAL A 81 -1.539 1.909 2.831 1.00 0.47 H new ATOM 0 HB VAL A 81 -1.471 2.059 -0.173 1.00 0.46 H new ATOM 0 HG11 VAL A 81 -1.565 -0.404 -0.015 1.00 0.58 H new ATOM 0 HG12 VAL A 81 -0.113 0.261 0.773 1.00 0.58 H new ATOM 0 HG13 VAL A 81 -1.490 -0.285 1.760 1.00 0.58 H new ATOM 0 HG21 VAL A 81 -3.656 0.909 -0.110 1.00 0.48 H new ATOM 0 HG22 VAL A 81 -3.698 1.100 1.659 1.00 0.48 H new ATOM 0 HG23 VAL A 81 -3.738 2.535 0.608 1.00 0.48 H new ATOM 1159 N ASP A 82 0.857 2.226 2.933 1.00 0.60 N ATOM 1160 CA ASP A 82 2.299 2.381 3.039 1.00 0.67 C ATOM 1161 C ASP A 82 2.978 1.065 2.659 1.00 0.66 C ATOM 1162 O ASP A 82 2.782 0.047 3.321 1.00 0.69 O ATOM 1163 CB ASP A 82 2.711 2.731 4.471 1.00 0.79 C ATOM 1164 CG ASP A 82 2.215 4.088 4.974 1.00 1.06 C ATOM 1165 OD1 ASP A 82 2.624 5.145 4.470 1.00 2.30 O ATOM 1166 OD2 ASP A 82 1.360 4.033 5.938 1.00 1.25 O ATOM 0 H ASP A 82 0.422 1.735 3.714 1.00 0.60 H new ATOM 0 HA ASP A 82 2.602 3.186 2.370 1.00 0.67 H new ATOM 0 HB2 ASP A 82 2.339 1.955 5.140 1.00 0.79 H new ATOM 0 HB3 ASP A 82 3.799 2.713 4.535 1.00 0.79 H new ATOM 1171 N TRP A 83 3.765 1.129 1.595 1.00 0.67 N ATOM 1172 CA TRP A 83 4.476 -0.046 1.118 1.00 0.71 C ATOM 1173 C TRP A 83 5.969 0.168 1.376 1.00 0.81 C ATOM 1174 O TRP A 83 6.425 1.304 1.498 1.00 0.81 O ATOM 1175 CB TRP A 83 4.156 -0.322 -0.352 1.00 0.66 C ATOM 1176 CG TRP A 83 4.395 0.874 -1.275 1.00 0.64 C ATOM 1177 CD1 TRP A 83 3.486 1.715 -1.788 1.00 0.57 C ATOM 1178 CD2 TRP A 83 5.668 1.333 -1.778 1.00 0.75 C ATOM 1179 NE1 TRP A 83 4.077 2.677 -2.582 1.00 0.62 N ATOM 1180 CE2 TRP A 83 5.446 2.437 -2.575 1.00 0.72 C ATOM 1181 CE3 TRP A 83 6.963 0.829 -1.566 1.00 0.89 C ATOM 1182 CZ2 TRP A 83 6.474 3.132 -3.224 1.00 0.83 C ATOM 1183 CZ3 TRP A 83 7.979 1.536 -2.221 1.00 0.99 C ATOM 1184 CH2 TRP A 83 7.773 2.649 -3.027 1.00 0.96 C ATOM 0 H TRP A 83 3.926 1.976 1.050 1.00 0.67 H new ATOM 0 HA TRP A 83 4.154 -0.937 1.657 1.00 0.71 H new ATOM 0 HB2 TRP A 83 4.764 -1.160 -0.695 1.00 0.66 H new ATOM 0 HB3 TRP A 83 3.114 -0.629 -0.435 1.00 0.66 H new ATOM 0 HD1 TRP A 83 2.424 1.648 -1.603 1.00 0.57 H new ATOM 0 HE1 TRP A 83 3.598 3.426 -3.082 1.00 0.62 H new ATOM 0 HE3 TRP A 83 7.159 -0.034 -0.947 1.00 0.89 H new ATOM 0 HZ2 TRP A 83 6.275 3.994 -3.843 1.00 0.83 H new ATOM 0 HZ3 TRP A 83 8.994 1.192 -2.090 1.00 0.99 H new ATOM 0 HH2 TRP A 83 8.611 3.139 -3.499 1.00 0.96 H new ATOM 1195 N ARG A 84 6.689 -0.943 1.451 1.00 0.91 N ATOM 1196 CA ARG A 84 8.120 -0.890 1.691 1.00 1.03 C ATOM 1197 C ARG A 84 8.850 -1.867 0.766 1.00 1.10 C ATOM 1198 O ARG A 84 8.319 -2.924 0.430 1.00 1.47 O ATOM 1199 CB ARG A 84 8.448 -1.237 3.146 1.00 1.26 C ATOM 1200 CG ARG A 84 8.162 -0.050 4.068 1.00 1.30 C ATOM 1201 CD ARG A 84 6.924 -0.311 4.929 1.00 1.87 C ATOM 1202 NE ARG A 84 7.109 0.282 6.274 1.00 1.74 N ATOM 1203 CZ ARG A 84 6.752 -0.328 7.423 1.00 2.42 C ATOM 1204 NH1 ARG A 84 6.187 -1.554 7.404 1.00 3.29 N ATOM 1205 NH2 ARG A 84 6.963 0.294 8.569 1.00 2.93 N ATOM 0 H ARG A 84 6.307 -1.884 1.350 1.00 0.91 H new ATOM 0 HA ARG A 84 8.453 0.128 1.487 1.00 1.03 H new ATOM 0 HB2 ARG A 84 7.858 -2.098 3.461 1.00 1.26 H new ATOM 0 HB3 ARG A 84 9.497 -1.522 3.229 1.00 1.26 H new ATOM 0 HG2 ARG A 84 9.024 0.133 4.710 1.00 1.30 H new ATOM 0 HG3 ARG A 84 8.012 0.850 3.472 1.00 1.30 H new ATOM 0 HD2 ARG A 84 6.042 0.117 4.452 1.00 1.87 H new ATOM 0 HD3 ARG A 84 6.751 -1.384 5.016 1.00 1.87 H new ATOM 0 HE ARG A 84 7.532 1.208 6.335 1.00 1.74 H new ATOM 0 HH11 ARG A 84 6.026 -2.028 6.515 1.00 3.29 H new ATOM 0 HH12 ARG A 84 5.921 -2.006 8.279 1.00 3.29 H new ATOM 0 HH21 ARG A 84 7.390 1.221 8.575 1.00 2.93 H new ATOM 0 HH22 ARG A 84 6.699 -0.152 9.448 1.00 2.93 H new ATOM 1219 N ALA A 85 10.056 -1.476 0.379 1.00 1.00 N ATOM 1220 CA ALA A 85 10.863 -2.303 -0.502 1.00 1.04 C ATOM 1221 C ALA A 85 12.310 -2.307 -0.005 1.00 1.13 C ATOM 1222 O ALA A 85 12.747 -1.365 0.655 1.00 0.97 O ATOM 1223 CB ALA A 85 10.742 -1.791 -1.938 1.00 0.96 C ATOM 0 H ALA A 85 10.493 -0.598 0.659 1.00 1.00 H new ATOM 0 HA ALA A 85 10.507 -3.333 -0.493 1.00 1.04 H new ATOM 0 HB1 ALA A 85 11.348 -2.412 -2.598 1.00 0.96 H new ATOM 0 HB2 ALA A 85 9.700 -1.835 -2.254 1.00 0.96 H new ATOM 0 HB3 ALA A 85 11.092 -0.760 -1.987 1.00 0.96 H new ATOM 1229 N VAL A 86 13.014 -3.379 -0.340 1.00 1.65 N ATOM 1230 CA VAL A 86 14.403 -3.518 0.064 1.00 1.83 C ATOM 1231 C VAL A 86 15.311 -3.171 -1.119 1.00 2.07 C ATOM 1232 O VAL A 86 14.876 -3.201 -2.269 1.00 3.02 O ATOM 1233 CB VAL A 86 14.649 -4.924 0.615 1.00 2.76 C ATOM 1234 CG1 VAL A 86 14.594 -5.968 -0.502 1.00 4.06 C ATOM 1235 CG2 VAL A 86 15.981 -4.994 1.364 1.00 3.95 C ATOM 0 H VAL A 86 12.648 -4.159 -0.886 1.00 1.65 H new ATOM 0 HA VAL A 86 14.639 -2.822 0.869 1.00 1.83 H new ATOM 0 HB VAL A 86 13.853 -5.149 1.324 1.00 2.76 H new ATOM 0 HG11 VAL A 86 14.772 -6.959 -0.083 1.00 4.06 H new ATOM 0 HG12 VAL A 86 13.612 -5.945 -0.974 1.00 4.06 H new ATOM 0 HG13 VAL A 86 15.359 -5.746 -1.246 1.00 4.06 H new ATOM 0 HG21 VAL A 86 16.131 -6.004 1.745 1.00 3.95 H new ATOM 0 HG22 VAL A 86 16.794 -4.738 0.685 1.00 3.95 H new ATOM 0 HG23 VAL A 86 15.968 -4.290 2.196 1.00 3.95 H new ATOM 1245 N SER A 87 16.555 -2.852 -0.793 1.00 1.81 N ATOM 1246 CA SER A 87 17.528 -2.500 -1.814 1.00 2.38 C ATOM 1247 C SER A 87 18.840 -3.246 -1.566 1.00 2.44 C ATOM 1248 O SER A 87 19.375 -3.887 -2.470 1.00 3.50 O ATOM 1249 CB SER A 87 17.773 -0.990 -1.845 1.00 2.88 C ATOM 1250 OG SER A 87 17.090 -0.359 -2.924 1.00 3.83 O ATOM 0 H SER A 87 16.911 -2.830 0.162 1.00 1.81 H new ATOM 0 HA SER A 87 17.128 -2.795 -2.784 1.00 2.38 H new ATOM 0 HB2 SER A 87 17.446 -0.551 -0.903 1.00 2.88 H new ATOM 0 HB3 SER A 87 18.842 -0.798 -1.932 1.00 2.88 H new ATOM 0 HG SER A 87 17.271 0.604 -2.907 1.00 3.83 H new ATOM 1256 N SER A 88 19.321 -3.140 -0.337 1.00 2.25 N ATOM 1257 CA SER A 88 20.560 -3.796 0.042 1.00 2.44 C ATOM 1258 C SER A 88 20.545 -4.123 1.537 1.00 2.09 C ATOM 1259 O SER A 88 20.778 -5.266 1.929 1.00 3.04 O ATOM 1260 CB SER A 88 21.771 -2.926 -0.297 1.00 3.70 C ATOM 1261 OG SER A 88 22.749 -3.640 -1.049 1.00 4.37 O ATOM 0 H SER A 88 18.874 -2.609 0.410 1.00 2.25 H new ATOM 0 HA SER A 88 20.642 -4.723 -0.526 1.00 2.44 H new ATOM 0 HB2 SER A 88 21.444 -2.054 -0.864 1.00 3.70 H new ATOM 0 HB3 SER A 88 22.221 -2.557 0.624 1.00 3.70 H new ATOM 0 HG SER A 88 23.505 -3.049 -1.247 1.00 4.37 H new ATOM 1267 N ASP A 89 20.265 -3.101 2.331 1.00 2.31 N ATOM 1268 CA ASP A 89 20.215 -3.265 3.773 1.00 3.20 C ATOM 1269 C ASP A 89 20.374 -1.898 4.444 1.00 3.02 C ATOM 1270 O ASP A 89 20.849 -0.949 3.822 1.00 3.23 O ATOM 1271 CB ASP A 89 21.348 -4.167 4.264 1.00 4.49 C ATOM 1272 CG ASP A 89 20.944 -5.613 4.557 1.00 6.01 C ATOM 1273 OD1 ASP A 89 20.109 -5.795 5.469 1.00 7.32 O ATOM 1274 OD2 ASP A 89 21.479 -6.503 3.861 1.00 6.35 O ATOM 0 H ASP A 89 20.070 -2.155 2.003 1.00 2.31 H new ATOM 0 HA ASP A 89 19.257 -3.718 4.028 1.00 3.20 H new ATOM 0 HB2 ASP A 89 22.139 -4.172 3.514 1.00 4.49 H new ATOM 0 HB3 ASP A 89 21.771 -3.733 5.170 1.00 4.49 H new ATOM 1279 N THR A 90 19.967 -1.842 5.703 1.00 3.73 N ATOM 1280 CA THR A 90 20.058 -0.608 6.465 1.00 3.93 C ATOM 1281 C THR A 90 19.150 0.463 5.856 1.00 3.23 C ATOM 1282 O THR A 90 19.368 0.897 4.727 1.00 2.87 O ATOM 1283 CB THR A 90 21.530 -0.195 6.522 1.00 4.57 C ATOM 1284 OG1 THR A 90 22.147 -1.217 7.301 1.00 5.54 O ATOM 1285 CG2 THR A 90 21.749 1.080 7.339 1.00 5.65 C ATOM 0 H THR A 90 19.573 -2.631 6.215 1.00 3.73 H new ATOM 0 HA THR A 90 19.704 -0.747 7.487 1.00 3.93 H new ATOM 0 HB THR A 90 21.905 -0.046 5.509 1.00 4.57 H new ATOM 0 HG1 THR A 90 23.105 -1.029 7.387 1.00 5.54 H new ATOM 0 HG21 THR A 90 22.810 1.329 7.348 1.00 5.65 H new ATOM 0 HG22 THR A 90 21.188 1.900 6.891 1.00 5.65 H new ATOM 0 HG23 THR A 90 21.405 0.921 8.361 1.00 5.65 H new ATOM 1293 N HIS A 91 18.151 0.857 6.632 1.00 3.83 N ATOM 1294 CA HIS A 91 17.210 1.868 6.183 1.00 3.44 C ATOM 1295 C HIS A 91 16.829 1.604 4.725 1.00 2.28 C ATOM 1296 O HIS A 91 17.462 2.129 3.810 1.00 2.58 O ATOM 1297 CB HIS A 91 17.774 3.273 6.404 1.00 4.30 C ATOM 1298 CG HIS A 91 17.023 4.082 7.435 1.00 5.52 C ATOM 1299 ND1 HIS A 91 15.784 4.646 7.188 1.00 6.16 N ATOM 1300 CD2 HIS A 91 17.350 4.416 8.717 1.00 6.82 C ATOM 1301 CE1 HIS A 91 15.391 5.287 8.278 1.00 7.47 C ATOM 1302 NE2 HIS A 91 16.364 5.144 9.225 1.00 7.78 N ATOM 0 H HIS A 91 17.973 0.494 7.569 1.00 3.83 H new ATOM 0 HA HIS A 91 16.298 1.809 6.777 1.00 3.44 H new ATOM 0 HB2 HIS A 91 18.817 3.191 6.711 1.00 4.30 H new ATOM 0 HB3 HIS A 91 17.762 3.811 5.456 1.00 4.30 H new ATOM 0 HD2 HIS A 91 18.257 4.135 9.231 1.00 6.82 H new ATOM 0 HE1 HIS A 91 14.464 5.828 8.397 1.00 7.47 H new ATOM 0 HE2 HIS A 91 16.337 5.533 10.168 1.00 7.78 H new ATOM 1310 N PRO A 92 15.770 0.770 4.550 1.00 1.66 N ATOM 1311 CA PRO A 92 15.297 0.429 3.219 1.00 1.18 C ATOM 1312 C PRO A 92 14.526 1.596 2.596 1.00 1.05 C ATOM 1313 O PRO A 92 14.637 2.733 3.052 1.00 1.26 O ATOM 1314 CB PRO A 92 14.443 -0.812 3.409 1.00 2.19 C ATOM 1315 CG PRO A 92 14.089 -0.852 4.887 1.00 2.85 C ATOM 1316 CD PRO A 92 14.997 0.130 5.610 1.00 2.60 C ATOM 0 HA PRO A 92 16.111 0.232 2.522 1.00 1.18 H new ATOM 0 HB2 PRO A 92 13.545 -0.766 2.793 1.00 2.19 H new ATOM 0 HB3 PRO A 92 14.987 -1.709 3.113 1.00 2.19 H new ATOM 0 HG2 PRO A 92 13.043 -0.586 5.036 1.00 2.85 H new ATOM 0 HG3 PRO A 92 14.222 -1.858 5.284 1.00 2.85 H new ATOM 0 HD2 PRO A 92 14.419 0.861 6.175 1.00 2.60 H new ATOM 0 HD3 PRO A 92 15.647 -0.381 6.321 1.00 2.60 H new ATOM 1324 N ILE A 93 13.761 1.273 1.563 1.00 0.94 N ATOM 1325 CA ILE A 93 12.972 2.279 0.874 1.00 0.88 C ATOM 1326 C ILE A 93 11.506 2.145 1.290 1.00 0.89 C ATOM 1327 O ILE A 93 10.966 1.040 1.325 1.00 1.14 O ATOM 1328 CB ILE A 93 13.194 2.191 -0.638 1.00 0.94 C ATOM 1329 CG1 ILE A 93 12.790 3.496 -1.329 1.00 1.92 C ATOM 1330 CG2 ILE A 93 12.466 0.981 -1.228 1.00 2.34 C ATOM 1331 CD1 ILE A 93 13.856 4.574 -1.128 1.00 3.20 C ATOM 0 H ILE A 93 13.671 0.329 1.187 1.00 0.94 H new ATOM 0 HA ILE A 93 13.294 3.279 1.162 1.00 0.88 H new ATOM 0 HB ILE A 93 14.259 2.047 -0.820 1.00 0.94 H new ATOM 0 HG12 ILE A 93 12.644 3.318 -2.394 1.00 1.92 H new ATOM 0 HG13 ILE A 93 11.837 3.843 -0.930 1.00 1.92 H new ATOM 0 HG21 ILE A 93 12.639 0.941 -2.303 1.00 2.34 H new ATOM 0 HG22 ILE A 93 12.843 0.069 -0.765 1.00 2.34 H new ATOM 0 HG23 ILE A 93 11.397 1.070 -1.036 1.00 2.34 H new ATOM 0 HD11 ILE A 93 13.545 5.491 -1.629 1.00 3.20 H new ATOM 0 HD12 ILE A 93 13.982 4.767 -0.063 1.00 3.20 H new ATOM 0 HD13 ILE A 93 14.802 4.233 -1.549 1.00 3.20 H new ATOM 1343 N THR A 94 10.902 3.285 1.593 1.00 0.77 N ATOM 1344 CA THR A 94 9.510 3.307 2.005 1.00 0.84 C ATOM 1345 C THR A 94 8.675 4.126 1.019 1.00 0.79 C ATOM 1346 O THR A 94 9.169 5.086 0.429 1.00 0.74 O ATOM 1347 CB THR A 94 9.449 3.838 3.439 1.00 0.94 C ATOM 1348 OG1 THR A 94 10.152 5.076 3.381 1.00 0.98 O ATOM 1349 CG2 THR A 94 10.269 2.989 4.412 1.00 1.10 C ATOM 0 H THR A 94 11.352 4.200 1.561 1.00 0.77 H new ATOM 0 HA THR A 94 9.079 2.306 1.995 1.00 0.84 H new ATOM 0 HB THR A 94 8.411 3.870 3.771 1.00 0.94 H new ATOM 0 HG1 THR A 94 10.159 5.490 4.269 1.00 0.98 H new ATOM 0 HG21 THR A 94 10.192 3.409 5.415 1.00 1.10 H new ATOM 0 HG22 THR A 94 9.887 1.968 4.415 1.00 1.10 H new ATOM 0 HG23 THR A 94 11.313 2.984 4.100 1.00 1.10 H new ATOM 1357 N GLY A 95 7.424 3.718 0.868 1.00 0.91 N ATOM 1358 CA GLY A 95 6.516 4.401 -0.036 1.00 0.89 C ATOM 1359 C GLY A 95 5.088 4.396 0.512 1.00 0.75 C ATOM 1360 O GLY A 95 4.722 3.520 1.293 1.00 0.72 O ATOM 0 H GLY A 95 7.017 2.921 1.358 1.00 0.91 H new ATOM 0 HA2 GLY A 95 6.849 5.428 -0.183 1.00 0.89 H new ATOM 0 HA3 GLY A 95 6.536 3.916 -1.012 1.00 0.89 H new ATOM 1364 N SER A 96 4.319 5.385 0.080 1.00 0.72 N ATOM 1365 CA SER A 96 2.939 5.506 0.519 1.00 0.66 C ATOM 1366 C SER A 96 2.048 5.903 -0.661 1.00 0.63 C ATOM 1367 O SER A 96 2.512 6.536 -1.607 1.00 0.76 O ATOM 1368 CB SER A 96 2.808 6.529 1.650 1.00 0.84 C ATOM 1369 OG SER A 96 4.038 6.716 2.345 1.00 1.02 O ATOM 0 H SER A 96 4.625 6.110 -0.569 1.00 0.72 H new ATOM 0 HA SER A 96 2.616 4.538 0.902 1.00 0.66 H new ATOM 0 HB2 SER A 96 2.475 7.482 1.240 1.00 0.84 H new ATOM 0 HB3 SER A 96 2.042 6.198 2.351 1.00 0.84 H new ATOM 0 HG SER A 96 3.985 6.288 3.225 1.00 1.02 H new ATOM 1375 N VAL A 97 0.786 5.514 -0.564 1.00 0.52 N ATOM 1376 CA VAL A 97 -0.174 5.820 -1.611 1.00 0.48 C ATOM 1377 C VAL A 97 -1.519 6.176 -0.975 1.00 0.50 C ATOM 1378 O VAL A 97 -2.234 5.298 -0.493 1.00 0.50 O ATOM 1379 CB VAL A 97 -0.268 4.651 -2.594 1.00 0.43 C ATOM 1380 CG1 VAL A 97 -1.065 5.045 -3.839 1.00 0.49 C ATOM 1381 CG2 VAL A 97 1.125 4.140 -2.972 1.00 0.50 C ATOM 0 H VAL A 97 0.405 4.989 0.224 1.00 0.52 H new ATOM 0 HA VAL A 97 0.153 6.686 -2.187 1.00 0.48 H new ATOM 0 HB VAL A 97 -0.800 3.838 -2.100 1.00 0.43 H new ATOM 0 HG11 VAL A 97 -1.117 4.197 -4.521 1.00 0.49 H new ATOM 0 HG12 VAL A 97 -2.073 5.339 -3.548 1.00 0.49 H new ATOM 0 HG13 VAL A 97 -0.573 5.881 -4.336 1.00 0.49 H new ATOM 0 HG21 VAL A 97 1.030 3.309 -3.671 1.00 0.50 H new ATOM 0 HG22 VAL A 97 1.693 4.944 -3.439 1.00 0.50 H new ATOM 0 HG23 VAL A 97 1.644 3.802 -2.075 1.00 0.50 H new ATOM 1391 N THR A 98 -1.826 7.465 -0.995 1.00 0.53 N ATOM 1392 CA THR A 98 -3.072 7.947 -0.427 1.00 0.57 C ATOM 1393 C THR A 98 -4.187 7.906 -1.474 1.00 0.54 C ATOM 1394 O THR A 98 -3.966 8.246 -2.635 1.00 0.53 O ATOM 1395 CB THR A 98 -2.823 9.346 0.141 1.00 0.64 C ATOM 1396 OG1 THR A 98 -3.947 9.584 0.983 1.00 0.69 O ATOM 1397 CG2 THR A 98 -2.921 10.437 -0.928 1.00 0.64 C ATOM 0 H THR A 98 -1.232 8.190 -1.396 1.00 0.53 H new ATOM 0 HA THR A 98 -3.410 7.305 0.387 1.00 0.57 H new ATOM 0 HB THR A 98 -1.837 9.379 0.605 1.00 0.64 H new ATOM 0 HG1 THR A 98 -4.389 8.733 1.186 1.00 0.69 H new ATOM 0 HG21 THR A 98 -2.736 11.410 -0.473 1.00 0.64 H new ATOM 0 HG22 THR A 98 -2.179 10.253 -1.705 1.00 0.64 H new ATOM 0 HG23 THR A 98 -3.918 10.426 -1.369 1.00 0.64 H new ATOM 1405 N PHE A 99 -5.361 7.485 -1.025 1.00 0.55 N ATOM 1406 CA PHE A 99 -6.510 7.394 -1.909 1.00 0.54 C ATOM 1407 C PHE A 99 -7.811 7.654 -1.145 1.00 0.58 C ATOM 1408 O PHE A 99 -7.883 7.424 0.060 1.00 0.62 O ATOM 1409 CB PHE A 99 -6.536 5.970 -2.466 1.00 0.49 C ATOM 1410 CG PHE A 99 -6.958 4.910 -1.446 1.00 0.49 C ATOM 1411 CD1 PHE A 99 -8.244 4.860 -1.010 1.00 1.56 C ATOM 1412 CD2 PHE A 99 -6.045 4.019 -0.974 1.00 1.90 C ATOM 1413 CE1 PHE A 99 -8.636 3.876 -0.064 1.00 1.57 C ATOM 1414 CE2 PHE A 99 -6.436 3.036 -0.028 1.00 1.89 C ATOM 1415 CZ PHE A 99 -7.723 2.985 0.409 1.00 0.51 C ATOM 0 H PHE A 99 -5.541 7.203 -0.061 1.00 0.55 H new ATOM 0 HA PHE A 99 -6.429 8.138 -2.701 1.00 0.54 H new ATOM 0 HB2 PHE A 99 -7.219 5.935 -3.315 1.00 0.49 H new ATOM 0 HB3 PHE A 99 -5.545 5.721 -2.845 1.00 0.49 H new ATOM 0 HD1 PHE A 99 -8.968 5.569 -1.383 1.00 1.56 H new ATOM 0 HD2 PHE A 99 -5.022 4.060 -1.319 1.00 1.90 H new ATOM 0 HE1 PHE A 99 -9.659 3.835 0.280 1.00 1.57 H new ATOM 0 HE2 PHE A 99 -5.711 2.328 0.345 1.00 1.89 H new ATOM 0 HZ PHE A 99 -8.020 2.238 1.131 1.00 0.51 H new ATOM 1425 N LYS A 100 -8.806 8.130 -1.880 1.00 0.59 N ATOM 1426 CA LYS A 100 -10.100 8.423 -1.288 1.00 0.64 C ATOM 1427 C LYS A 100 -11.102 7.343 -1.700 1.00 0.63 C ATOM 1428 O LYS A 100 -10.838 6.562 -2.613 1.00 0.63 O ATOM 1429 CB LYS A 100 -10.544 9.843 -1.645 1.00 0.69 C ATOM 1430 CG LYS A 100 -9.676 10.884 -0.933 1.00 0.72 C ATOM 1431 CD LYS A 100 -10.499 12.115 -0.551 1.00 1.28 C ATOM 1432 CE LYS A 100 -9.645 13.383 -0.597 1.00 1.88 C ATOM 1433 NZ LYS A 100 -9.676 14.076 0.710 1.00 2.82 N ATOM 0 H LYS A 100 -8.742 8.320 -2.880 1.00 0.59 H new ATOM 0 HA LYS A 100 -10.035 8.399 -0.200 1.00 0.64 H new ATOM 0 HB2 LYS A 100 -10.480 9.987 -2.724 1.00 0.69 H new ATOM 0 HB3 LYS A 100 -11.588 9.982 -1.366 1.00 0.69 H new ATOM 0 HG2 LYS A 100 -9.235 10.445 -0.038 1.00 0.72 H new ATOM 0 HG3 LYS A 100 -8.852 11.180 -1.582 1.00 0.72 H new ATOM 0 HD2 LYS A 100 -11.344 12.217 -1.232 1.00 1.28 H new ATOM 0 HD3 LYS A 100 -10.910 11.985 0.450 1.00 1.28 H new ATOM 0 HE2 LYS A 100 -8.617 13.127 -0.855 1.00 1.88 H new ATOM 0 HE3 LYS A 100 -10.014 14.049 -1.377 1.00 1.88 H new ATOM 0 HZ1 LYS A 100 -9.091 14.935 0.662 1.00 2.82 H new ATOM 0 HZ2 LYS A 100 -10.656 14.337 0.941 1.00 2.82 H new ATOM 0 HZ3 LYS A 100 -9.303 13.444 1.447 1.00 2.82 H new ATOM 1447 N VAL A 101 -12.231 7.333 -1.008 1.00 0.66 N ATOM 1448 CA VAL A 101 -13.274 6.363 -1.293 1.00 0.67 C ATOM 1449 C VAL A 101 -14.643 7.021 -1.106 1.00 0.74 C ATOM 1450 O VAL A 101 -14.994 7.429 0.000 1.00 0.76 O ATOM 1451 CB VAL A 101 -13.085 5.120 -0.419 1.00 0.67 C ATOM 1452 CG1 VAL A 101 -14.254 4.147 -0.589 1.00 0.74 C ATOM 1453 CG2 VAL A 101 -11.751 4.435 -0.722 1.00 0.61 C ATOM 0 H VAL A 101 -12.447 7.981 -0.250 1.00 0.66 H new ATOM 0 HA VAL A 101 -13.212 6.030 -2.329 1.00 0.67 H new ATOM 0 HB VAL A 101 -13.067 5.442 0.622 1.00 0.67 H new ATOM 0 HG11 VAL A 101 -14.095 3.273 0.043 1.00 0.74 H new ATOM 0 HG12 VAL A 101 -15.182 4.640 -0.300 1.00 0.74 H new ATOM 0 HG13 VAL A 101 -14.319 3.834 -1.631 1.00 0.74 H new ATOM 0 HG21 VAL A 101 -11.641 3.555 -0.088 1.00 0.61 H new ATOM 0 HG22 VAL A 101 -11.727 4.133 -1.769 1.00 0.61 H new ATOM 0 HG23 VAL A 101 -10.933 5.128 -0.525 1.00 0.61 H new ATOM 1463 N LYS A 102 -15.379 7.104 -2.204 1.00 0.80 N ATOM 1464 CA LYS A 102 -16.700 7.706 -2.176 1.00 0.88 C ATOM 1465 C LYS A 102 -17.756 6.619 -2.386 1.00 0.93 C ATOM 1466 O LYS A 102 -18.912 6.919 -2.686 1.00 1.34 O ATOM 1467 CB LYS A 102 -16.789 8.852 -3.186 1.00 0.95 C ATOM 1468 CG LYS A 102 -15.763 9.943 -2.870 1.00 1.01 C ATOM 1469 CD LYS A 102 -16.440 11.173 -2.264 1.00 1.21 C ATOM 1470 CE LYS A 102 -16.303 12.384 -3.190 1.00 1.78 C ATOM 1471 NZ LYS A 102 -17.576 13.138 -3.248 1.00 2.62 N ATOM 1472 OXT LYS A 102 -17.437 5.516 -2.825 1.00 1.17 O ATOM 0 H LYS A 102 -15.085 6.764 -3.120 1.00 0.80 H new ATOM 0 HA LYS A 102 -16.893 8.155 -1.202 1.00 0.88 H new ATOM 0 HB2 LYS A 102 -16.619 8.469 -4.192 1.00 0.95 H new ATOM 0 HB3 LYS A 102 -17.793 9.277 -3.172 1.00 0.95 H new ATOM 0 HG2 LYS A 102 -15.017 9.555 -2.176 1.00 1.01 H new ATOM 0 HG3 LYS A 102 -15.235 10.226 -3.781 1.00 1.01 H new ATOM 0 HD2 LYS A 102 -17.495 10.963 -2.088 1.00 1.21 H new ATOM 0 HD3 LYS A 102 -15.994 11.398 -1.295 1.00 1.21 H new ATOM 0 HE2 LYS A 102 -15.504 13.034 -2.833 1.00 1.78 H new ATOM 0 HE3 LYS A 102 -16.023 12.055 -4.190 1.00 1.78 H new ATOM 0 HZ1 LYS A 102 -17.466 13.956 -3.880 1.00 2.62 H new ATOM 0 HZ2 LYS A 102 -18.330 12.519 -3.610 1.00 2.62 H new ATOM 0 HZ3 LYS A 102 -17.827 13.469 -2.295 1.00 2.62 H new TER 1486 LYS A 102 HETATM 1487 CU CU A 103 18.667 1.437 -5.826 1.00 1.22 CU