USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 556 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 57 SER OG : rot 180:sc= 0.431 USER MOD Set 1.2: A 70 THR OG1 : rot 10:sc= 0.462 USER MOD Set 2.1: A 11 GLN : amide:sc= -2.83! K(o=-2.8!,f=-1.7) USER MOD Set 2.2: A 34 THR OG1 : rot 180:sc=-0.000192 USER MOD Single : A 4 HIS : no HE2:sc= -0.249 K(o=-0.25,f=-0.94) USER MOD Single : A 12 SER OG : rot -17:sc= 0.945 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HE2:sc= 0.161 K(o=0.16,f=-5.4!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -4.48! K(o=-4.5!,f=-0.015) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 164:sc= -0.0879 (180deg=-0.454) USER MOD Single : A 46 GLN : amide:sc= -3.75! C(o=-3.8!,f=-1.2!) USER MOD Single : A 49 LYS NZ :NH3+ 169:sc=-0.000741 (180deg=-0.0837) USER MOD Single : A 63 HIS : no HD1:sc=-0.00682 X(o=-0.0068,f=0) USER MOD Single : A 65 MET CE :methyl 153:sc= -0.244 (180deg=-1.17) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -5.95! K(o=-5.9!,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 10 N PRO A 2 11.423 -7.024 -6.679 1.00 0.70 N ATOM 11 CA PRO A 2 10.168 -7.771 -6.782 1.00 0.54 C ATOM 12 C PRO A 2 8.964 -6.919 -6.408 1.00 0.42 C ATOM 13 O PRO A 2 8.906 -6.329 -5.324 1.00 0.41 O ATOM 14 CB PRO A 2 10.346 -8.916 -5.781 1.00 0.73 C ATOM 15 CG PRO A 2 11.357 -8.406 -4.817 1.00 0.95 C ATOM 16 CD PRO A 2 12.302 -7.575 -5.635 1.00 0.85 C ATOM 0 HA PRO A 2 9.977 -8.109 -7.800 1.00 0.54 H new ATOM 0 HB2 PRO A 2 9.407 -9.158 -5.282 1.00 0.73 H new ATOM 0 HB3 PRO A 2 10.689 -9.826 -6.274 1.00 0.73 H new ATOM 0 HG2 PRO A 2 10.888 -7.811 -4.033 1.00 0.95 H new ATOM 0 HG3 PRO A 2 11.880 -9.226 -4.325 1.00 0.95 H new ATOM 0 HD2 PRO A 2 12.769 -6.789 -5.041 1.00 0.85 H new ATOM 0 HD3 PRO A 2 13.107 -8.175 -6.058 1.00 0.85 H new ATOM 24 N GLU A 3 8.011 -6.862 -7.316 1.00 0.42 N ATOM 25 CA GLU A 3 6.834 -6.039 -7.145 1.00 0.34 C ATOM 26 C GLU A 3 5.654 -6.893 -6.716 1.00 0.32 C ATOM 27 O GLU A 3 5.321 -7.889 -7.364 1.00 0.45 O ATOM 28 CB GLU A 3 6.527 -5.313 -8.451 1.00 0.40 C ATOM 29 CG GLU A 3 5.418 -4.281 -8.348 1.00 0.46 C ATOM 30 CD GLU A 3 5.248 -3.517 -9.639 1.00 0.75 C ATOM 31 OE1 GLU A 3 4.478 -3.974 -10.512 1.00 1.02 O ATOM 32 OE2 GLU A 3 5.870 -2.447 -9.784 1.00 1.13 O ATOM 0 H GLU A 3 8.032 -7.385 -8.192 1.00 0.42 H new ATOM 0 HA GLU A 3 7.019 -5.300 -6.365 1.00 0.34 H new ATOM 0 HB2 GLU A 3 7.434 -4.820 -8.801 1.00 0.40 H new ATOM 0 HB3 GLU A 3 6.253 -6.049 -9.206 1.00 0.40 H new ATOM 0 HG2 GLU A 3 4.482 -4.777 -8.092 1.00 0.46 H new ATOM 0 HG3 GLU A 3 5.642 -3.585 -7.539 1.00 0.46 H new ATOM 39 N HIS A 4 5.045 -6.517 -5.606 1.00 0.26 N ATOM 40 CA HIS A 4 3.878 -7.212 -5.094 1.00 0.28 C ATOM 41 C HIS A 4 2.790 -6.188 -4.812 1.00 0.27 C ATOM 42 O HIS A 4 3.080 -5.101 -4.314 1.00 0.36 O ATOM 43 CB HIS A 4 4.200 -7.978 -3.800 1.00 0.33 C ATOM 44 CG HIS A 4 5.465 -8.789 -3.837 1.00 0.40 C ATOM 45 ND1 HIS A 4 5.540 -10.059 -4.367 1.00 0.49 N ATOM 46 CD2 HIS A 4 6.709 -8.505 -3.382 1.00 0.46 C ATOM 47 CE1 HIS A 4 6.770 -10.518 -4.232 1.00 0.55 C ATOM 48 NE2 HIS A 4 7.499 -9.595 -3.638 1.00 0.54 N ATOM 0 H HIS A 4 5.344 -5.725 -5.036 1.00 0.26 H new ATOM 0 HA HIS A 4 3.549 -7.936 -5.840 1.00 0.28 H new ATOM 0 HB2 HIS A 4 4.269 -7.263 -2.980 1.00 0.33 H new ATOM 0 HB3 HIS A 4 3.367 -8.643 -3.573 1.00 0.33 H new ATOM 0 HD1 HIS A 4 4.766 -10.565 -4.797 1.00 0.49 H new ATOM 0 HD2 HIS A 4 7.021 -7.588 -2.905 1.00 0.46 H new ATOM 0 HE1 HIS A 4 7.120 -11.487 -4.554 1.00 0.55 H new ATOM 57 N ARG A 5 1.552 -6.508 -5.134 1.00 0.30 N ATOM 58 CA ARG A 5 0.462 -5.585 -4.862 1.00 0.33 C ATOM 59 C ARG A 5 -0.269 -5.981 -3.601 1.00 0.23 C ATOM 60 O ARG A 5 -0.169 -7.120 -3.140 1.00 0.32 O ATOM 61 CB ARG A 5 -0.518 -5.490 -6.030 1.00 0.49 C ATOM 62 CG ARG A 5 -1.102 -6.815 -6.475 1.00 0.85 C ATOM 63 CD ARG A 5 -2.010 -6.618 -7.674 1.00 0.80 C ATOM 64 NE ARG A 5 -1.266 -6.178 -8.856 1.00 1.37 N ATOM 65 CZ ARG A 5 -1.830 -5.847 -10.017 1.00 1.81 C ATOM 66 NH1 ARG A 5 -3.149 -5.836 -10.149 1.00 2.17 N ATOM 67 NH2 ARG A 5 -1.073 -5.505 -11.050 1.00 2.51 N ATOM 0 H ARG A 5 1.276 -7.384 -5.577 1.00 0.30 H new ATOM 0 HA ARG A 5 0.906 -4.599 -4.724 1.00 0.33 H new ATOM 0 HB2 ARG A 5 -1.334 -4.825 -5.749 1.00 0.49 H new ATOM 0 HB3 ARG A 5 -0.009 -5.030 -6.877 1.00 0.49 H new ATOM 0 HG2 ARG A 5 -0.299 -7.506 -6.729 1.00 0.85 H new ATOM 0 HG3 ARG A 5 -1.663 -7.265 -5.656 1.00 0.85 H new ATOM 0 HD2 ARG A 5 -2.525 -7.552 -7.896 1.00 0.80 H new ATOM 0 HD3 ARG A 5 -2.776 -5.881 -7.432 1.00 0.80 H new ATOM 0 HE ARG A 5 -0.250 -6.121 -8.786 1.00 1.37 H new ATOM 0 HH11 ARG A 5 -3.743 -6.082 -9.357 1.00 2.17 H new ATOM 0 HH12 ARG A 5 -3.570 -5.581 -11.042 1.00 2.17 H new ATOM 0 HH21 ARG A 5 -0.057 -5.495 -10.957 1.00 2.51 H new ATOM 0 HH22 ARG A 5 -1.506 -5.252 -11.938 1.00 2.51 H new ATOM 81 N ALA A 6 -0.993 -5.030 -3.046 1.00 0.18 N ATOM 82 CA ALA A 6 -1.728 -5.248 -1.825 1.00 0.24 C ATOM 83 C ALA A 6 -2.828 -4.217 -1.680 1.00 0.21 C ATOM 84 O ALA A 6 -2.711 -3.092 -2.161 1.00 0.23 O ATOM 85 CB ALA A 6 -0.796 -5.179 -0.629 1.00 0.41 C ATOM 0 H ALA A 6 -1.086 -4.090 -3.430 1.00 0.18 H new ATOM 0 HA ALA A 6 -2.178 -6.240 -1.867 1.00 0.24 H new ATOM 0 HB1 ALA A 6 -1.365 -5.345 0.286 1.00 0.41 H new ATOM 0 HB2 ALA A 6 -0.027 -5.946 -0.722 1.00 0.41 H new ATOM 0 HB3 ALA A 6 -0.326 -4.196 -0.590 1.00 0.41 H new ATOM 91 N VAL A 7 -3.904 -4.616 -1.043 1.00 0.19 N ATOM 92 CA VAL A 7 -4.962 -3.691 -0.686 1.00 0.16 C ATOM 93 C VAL A 7 -4.932 -3.426 0.812 1.00 0.16 C ATOM 94 O VAL A 7 -4.651 -4.328 1.607 1.00 0.20 O ATOM 95 CB VAL A 7 -6.354 -4.212 -1.104 1.00 0.19 C ATOM 96 CG1 VAL A 7 -6.463 -4.283 -2.618 1.00 0.20 C ATOM 97 CG2 VAL A 7 -6.640 -5.573 -0.483 1.00 0.24 C ATOM 0 H VAL A 7 -4.073 -5.581 -0.758 1.00 0.19 H new ATOM 0 HA VAL A 7 -4.786 -2.762 -1.228 1.00 0.16 H new ATOM 0 HB VAL A 7 -7.101 -3.510 -0.734 1.00 0.19 H new ATOM 0 HG11 VAL A 7 -7.451 -4.652 -2.895 1.00 0.20 H new ATOM 0 HG12 VAL A 7 -6.316 -3.289 -3.040 1.00 0.20 H new ATOM 0 HG13 VAL A 7 -5.701 -4.959 -3.006 1.00 0.20 H new ATOM 0 HG21 VAL A 7 -7.627 -5.915 -0.795 1.00 0.24 H new ATOM 0 HG22 VAL A 7 -5.887 -6.289 -0.813 1.00 0.24 H new ATOM 0 HG23 VAL A 7 -6.611 -5.491 0.603 1.00 0.24 H new ATOM 107 N GLY A 8 -5.182 -2.188 1.198 1.00 0.19 N ATOM 108 CA GLY A 8 -5.124 -1.840 2.598 1.00 0.23 C ATOM 109 C GLY A 8 -5.811 -0.534 2.898 1.00 0.20 C ATOM 110 O GLY A 8 -6.280 0.152 1.989 1.00 0.28 O ATOM 0 H GLY A 8 -5.423 -1.421 0.570 1.00 0.19 H new ATOM 0 HA2 GLY A 8 -5.587 -2.633 3.185 1.00 0.23 H new ATOM 0 HA3 GLY A 8 -4.082 -1.778 2.911 1.00 0.23 H new ATOM 114 N ARG A 9 -5.864 -0.187 4.169 1.00 0.19 N ATOM 115 CA ARG A 9 -6.522 1.025 4.602 1.00 0.19 C ATOM 116 C ARG A 9 -5.488 2.018 5.106 1.00 0.19 C ATOM 117 O ARG A 9 -4.652 1.685 5.950 1.00 0.24 O ATOM 118 CB ARG A 9 -7.546 0.718 5.694 1.00 0.25 C ATOM 119 CG ARG A 9 -8.518 1.855 5.951 1.00 0.49 C ATOM 120 CD ARG A 9 -9.560 1.470 6.986 1.00 0.63 C ATOM 121 NE ARG A 9 -10.589 2.496 7.146 1.00 1.52 N ATOM 122 CZ ARG A 9 -11.332 2.631 8.244 1.00 2.08 C ATOM 123 NH1 ARG A 9 -11.102 1.857 9.297 1.00 2.10 N ATOM 124 NH2 ARG A 9 -12.287 3.550 8.300 1.00 3.19 N ATOM 0 H ARG A 9 -5.454 -0.735 4.925 1.00 0.19 H new ATOM 0 HA ARG A 9 -7.050 1.463 3.755 1.00 0.19 H new ATOM 0 HB2 ARG A 9 -8.108 -0.173 5.414 1.00 0.25 H new ATOM 0 HB3 ARG A 9 -7.019 0.485 6.619 1.00 0.25 H new ATOM 0 HG2 ARG A 9 -7.971 2.733 6.293 1.00 0.49 H new ATOM 0 HG3 ARG A 9 -9.013 2.130 5.020 1.00 0.49 H new ATOM 0 HD2 ARG A 9 -10.029 0.531 6.694 1.00 0.63 H new ATOM 0 HD3 ARG A 9 -9.070 1.297 7.944 1.00 0.63 H new ATOM 0 HE ARG A 9 -10.747 3.144 6.375 1.00 1.52 H new ATOM 0 HH11 ARG A 9 -10.358 1.160 9.265 1.00 2.10 H new ATOM 0 HH12 ARG A 9 -11.670 1.959 10.138 1.00 2.10 H new ATOM 0 HH21 ARG A 9 -12.456 4.159 7.499 1.00 3.19 H new ATOM 0 HH22 ARG A 9 -12.852 3.648 9.144 1.00 3.19 H new ATOM 138 N ILE A 10 -5.539 3.224 4.573 1.00 0.17 N ATOM 139 CA ILE A 10 -4.582 4.255 4.922 1.00 0.18 C ATOM 140 C ILE A 10 -4.691 4.613 6.392 1.00 0.19 C ATOM 141 O ILE A 10 -5.783 4.864 6.907 1.00 0.22 O ATOM 142 CB ILE A 10 -4.782 5.523 4.069 1.00 0.19 C ATOM 143 CG1 ILE A 10 -4.761 5.175 2.580 1.00 0.20 C ATOM 144 CG2 ILE A 10 -3.711 6.555 4.390 1.00 0.21 C ATOM 145 CD1 ILE A 10 -3.503 4.463 2.143 1.00 0.23 C ATOM 0 H ILE A 10 -6.240 3.515 3.891 1.00 0.17 H new ATOM 0 HA ILE A 10 -3.588 3.855 4.720 1.00 0.18 H new ATOM 0 HB ILE A 10 -5.755 5.950 4.309 1.00 0.19 H new ATOM 0 HG12 ILE A 10 -5.622 4.548 2.350 1.00 0.20 H new ATOM 0 HG13 ILE A 10 -4.870 6.091 2.000 1.00 0.20 H new ATOM 0 HG21 ILE A 10 -3.867 7.444 3.779 1.00 0.21 H new ATOM 0 HG22 ILE A 10 -3.770 6.825 5.444 1.00 0.21 H new ATOM 0 HG23 ILE A 10 -2.727 6.137 4.177 1.00 0.21 H new ATOM 0 HD11 ILE A 10 -3.559 4.248 1.076 1.00 0.23 H new ATOM 0 HD12 ILE A 10 -2.639 5.097 2.341 1.00 0.23 H new ATOM 0 HD13 ILE A 10 -3.402 3.529 2.696 1.00 0.23 H new ATOM 157 N GLN A 11 -3.556 4.618 7.067 1.00 0.21 N ATOM 158 CA GLN A 11 -3.508 4.945 8.474 1.00 0.26 C ATOM 159 C GLN A 11 -3.250 6.439 8.632 1.00 0.26 C ATOM 160 O GLN A 11 -3.976 7.137 9.341 1.00 0.32 O ATOM 161 CB GLN A 11 -2.408 4.126 9.149 1.00 0.34 C ATOM 162 CG GLN A 11 -2.720 3.718 10.573 1.00 0.62 C ATOM 163 CD GLN A 11 -3.998 2.913 10.679 1.00 0.60 C ATOM 164 OE1 GLN A 11 -5.075 3.462 10.896 1.00 1.13 O ATOM 165 NE2 GLN A 11 -3.894 1.609 10.496 1.00 0.52 N ATOM 0 H GLN A 11 -2.649 4.397 6.656 1.00 0.21 H new ATOM 0 HA GLN A 11 -4.458 4.703 8.950 1.00 0.26 H new ATOM 0 HB2 GLN A 11 -2.225 3.229 8.558 1.00 0.34 H new ATOM 0 HB3 GLN A 11 -1.485 4.705 9.143 1.00 0.34 H new ATOM 0 HG2 GLN A 11 -1.891 3.131 10.969 1.00 0.62 H new ATOM 0 HG3 GLN A 11 -2.804 4.610 11.193 1.00 0.62 H new ATOM 0 HE21 GLN A 11 -2.981 1.190 10.318 1.00 0.52 H new ATOM 0 HE22 GLN A 11 -4.727 1.021 10.533 1.00 0.52 H new ATOM 174 N SER A 12 -2.215 6.922 7.951 1.00 0.24 N ATOM 175 CA SER A 12 -1.889 8.343 7.924 1.00 0.26 C ATOM 176 C SER A 12 -1.006 8.655 6.717 1.00 0.24 C ATOM 177 O SER A 12 -0.278 7.783 6.239 1.00 0.31 O ATOM 178 CB SER A 12 -1.166 8.769 9.204 1.00 0.33 C ATOM 179 OG SER A 12 -1.937 8.478 10.360 1.00 0.75 O ATOM 0 H SER A 12 -1.580 6.340 7.404 1.00 0.24 H new ATOM 0 HA SER A 12 -2.824 8.899 7.851 1.00 0.26 H new ATOM 0 HB2 SER A 12 -0.206 8.257 9.268 1.00 0.33 H new ATOM 0 HB3 SER A 12 -0.956 9.838 9.166 1.00 0.33 H new ATOM 0 HG SER A 12 -2.868 8.318 10.100 1.00 0.75 H new ATOM 185 N ILE A 13 -1.074 9.890 6.238 1.00 0.28 N ATOM 186 CA ILE A 13 -0.279 10.325 5.096 1.00 0.30 C ATOM 187 C ILE A 13 0.937 11.118 5.564 1.00 0.36 C ATOM 188 O ILE A 13 0.871 11.847 6.554 1.00 0.44 O ATOM 189 CB ILE A 13 -1.116 11.198 4.130 1.00 0.41 C ATOM 190 CG1 ILE A 13 -2.314 10.409 3.611 1.00 0.47 C ATOM 191 CG2 ILE A 13 -0.271 11.699 2.963 1.00 0.49 C ATOM 192 CD1 ILE A 13 -3.239 11.225 2.734 1.00 0.77 C ATOM 0 H ILE A 13 -1.677 10.615 6.627 1.00 0.28 H new ATOM 0 HA ILE A 13 0.050 9.431 4.566 1.00 0.30 H new ATOM 0 HB ILE A 13 -1.473 12.066 4.685 1.00 0.41 H new ATOM 0 HG12 ILE A 13 -1.955 9.549 3.046 1.00 0.47 H new ATOM 0 HG13 ILE A 13 -2.878 10.021 4.459 1.00 0.47 H new ATOM 0 HG21 ILE A 13 -0.888 12.309 2.303 1.00 0.49 H new ATOM 0 HG22 ILE A 13 0.556 12.298 3.344 1.00 0.49 H new ATOM 0 HG23 ILE A 13 0.123 10.848 2.408 1.00 0.49 H new ATOM 0 HD11 ILE A 13 -4.068 10.601 2.401 1.00 0.77 H new ATOM 0 HD12 ILE A 13 -3.627 12.071 3.302 1.00 0.77 H new ATOM 0 HD13 ILE A 13 -2.689 11.591 1.867 1.00 0.77 H new ATOM 204 N GLY A 14 2.038 10.963 4.852 1.00 0.44 N ATOM 205 CA GLY A 14 3.245 11.690 5.178 1.00 0.60 C ATOM 206 C GLY A 14 3.735 12.539 4.025 1.00 0.77 C ATOM 207 O GLY A 14 2.968 12.878 3.123 1.00 1.06 O ATOM 0 H GLY A 14 2.119 10.342 4.047 1.00 0.44 H new ATOM 0 HA2 GLY A 14 3.060 12.328 6.042 1.00 0.60 H new ATOM 0 HA3 GLY A 14 4.025 10.984 5.464 1.00 0.60 H new ATOM 211 N GLU A 15 5.019 12.855 4.046 1.00 0.88 N ATOM 212 CA GLU A 15 5.619 13.738 3.053 1.00 1.05 C ATOM 213 C GLU A 15 6.123 12.934 1.861 1.00 0.84 C ATOM 214 O GLU A 15 5.991 13.340 0.706 1.00 1.00 O ATOM 215 CB GLU A 15 6.778 14.505 3.698 1.00 1.34 C ATOM 216 CG GLU A 15 7.749 13.598 4.447 1.00 1.90 C ATOM 217 CD GLU A 15 8.919 14.343 5.049 1.00 2.12 C ATOM 218 OE1 GLU A 15 9.852 14.697 4.298 1.00 2.51 O ATOM 219 OE2 GLU A 15 8.903 14.597 6.270 1.00 2.50 O ATOM 0 H GLU A 15 5.674 12.510 4.747 1.00 0.88 H new ATOM 0 HA GLU A 15 4.867 14.442 2.697 1.00 1.05 H new ATOM 0 HB2 GLU A 15 7.321 15.050 2.925 1.00 1.34 H new ATOM 0 HB3 GLU A 15 6.376 15.247 4.388 1.00 1.34 H new ATOM 0 HG2 GLU A 15 7.212 13.078 5.240 1.00 1.90 H new ATOM 0 HG3 GLU A 15 8.125 12.836 3.764 1.00 1.90 H new ATOM 226 N ARG A 16 6.699 11.787 2.173 1.00 0.60 N ATOM 227 CA ARG A 16 7.296 10.903 1.185 1.00 0.53 C ATOM 228 C ARG A 16 7.097 9.470 1.614 1.00 0.38 C ATOM 229 O ARG A 16 7.652 8.543 1.036 1.00 0.41 O ATOM 230 CB ARG A 16 8.777 11.191 1.083 1.00 0.67 C ATOM 231 CG ARG A 16 9.474 11.159 2.431 1.00 0.91 C ATOM 232 CD ARG A 16 10.847 11.781 2.358 1.00 1.39 C ATOM 233 NE ARG A 16 10.779 13.234 2.190 1.00 2.20 N ATOM 234 CZ ARG A 16 11.195 13.883 1.101 1.00 2.95 C ATOM 235 NH1 ARG A 16 11.682 13.210 0.063 1.00 3.02 N ATOM 236 NH2 ARG A 16 11.109 15.207 1.045 1.00 3.93 N ATOM 0 H ARG A 16 6.767 11.438 3.129 1.00 0.60 H new ATOM 0 HA ARG A 16 6.824 11.066 0.216 1.00 0.53 H new ATOM 0 HB2 ARG A 16 9.241 10.459 0.421 1.00 0.67 H new ATOM 0 HB3 ARG A 16 8.922 12.170 0.627 1.00 0.67 H new ATOM 0 HG2 ARG A 16 8.871 11.691 3.166 1.00 0.91 H new ATOM 0 HG3 ARG A 16 9.558 10.128 2.774 1.00 0.91 H new ATOM 0 HD2 ARG A 16 11.401 11.546 3.267 1.00 1.39 H new ATOM 0 HD3 ARG A 16 11.400 11.345 1.526 1.00 1.39 H new ATOM 0 HE ARG A 16 10.389 13.785 2.954 1.00 2.20 H new ATOM 0 HH11 ARG A 16 11.739 12.192 0.097 1.00 3.02 H new ATOM 0 HH12 ARG A 16 11.999 13.712 -0.767 1.00 3.02 H new ATOM 0 HH21 ARG A 16 10.725 15.727 1.834 1.00 3.93 H new ATOM 0 HH22 ARG A 16 11.427 15.704 0.213 1.00 3.93 H new ATOM 250 N SER A 17 6.319 9.312 2.658 1.00 0.33 N ATOM 251 CA SER A 17 6.066 8.024 3.244 1.00 0.37 C ATOM 252 C SER A 17 4.750 8.070 3.977 1.00 0.39 C ATOM 253 O SER A 17 4.367 9.111 4.501 1.00 0.54 O ATOM 254 CB SER A 17 7.204 7.652 4.191 1.00 0.47 C ATOM 255 OG SER A 17 7.672 8.797 4.890 1.00 0.94 O ATOM 0 H SER A 17 5.841 10.082 3.126 1.00 0.33 H new ATOM 0 HA SER A 17 6.012 7.263 2.465 1.00 0.37 H new ATOM 0 HB2 SER A 17 6.861 6.901 4.902 1.00 0.47 H new ATOM 0 HB3 SER A 17 8.022 7.205 3.626 1.00 0.47 H new ATOM 0 HG SER A 17 8.400 8.537 5.493 1.00 0.94 H new ATOM 261 N LEU A 18 4.048 6.967 3.987 1.00 0.35 N ATOM 262 CA LEU A 18 2.773 6.899 4.666 1.00 0.35 C ATOM 263 C LEU A 18 2.505 5.493 5.156 1.00 0.26 C ATOM 264 O LEU A 18 3.005 4.517 4.594 1.00 0.30 O ATOM 265 CB LEU A 18 1.650 7.411 3.758 1.00 0.46 C ATOM 266 CG LEU A 18 1.815 7.117 2.266 1.00 0.45 C ATOM 267 CD1 LEU A 18 1.254 5.750 1.906 1.00 1.03 C ATOM 268 CD2 LEU A 18 1.154 8.216 1.452 1.00 0.78 C ATOM 0 H LEU A 18 4.335 6.100 3.533 1.00 0.35 H new ATOM 0 HA LEU A 18 2.807 7.549 5.541 1.00 0.35 H new ATOM 0 HB2 LEU A 18 0.709 6.974 4.093 1.00 0.46 H new ATOM 0 HB3 LEU A 18 1.565 8.490 3.889 1.00 0.46 H new ATOM 0 HG LEU A 18 2.879 7.097 2.029 1.00 0.45 H new ATOM 0 HD11 LEU A 18 1.387 5.572 0.839 1.00 1.03 H new ATOM 0 HD12 LEU A 18 1.780 4.980 2.471 1.00 1.03 H new ATOM 0 HD13 LEU A 18 0.192 5.717 2.150 1.00 1.03 H new ATOM 0 HD21 LEU A 18 1.273 8.004 0.390 1.00 0.78 H new ATOM 0 HD22 LEU A 18 0.093 8.261 1.696 1.00 0.78 H new ATOM 0 HD23 LEU A 18 1.621 9.173 1.685 1.00 0.78 H new ATOM 280 N ILE A 19 1.730 5.400 6.216 1.00 0.20 N ATOM 281 CA ILE A 19 1.508 4.137 6.888 1.00 0.19 C ATOM 282 C ILE A 19 0.161 3.563 6.476 1.00 0.17 C ATOM 283 O ILE A 19 -0.854 4.264 6.504 1.00 0.19 O ATOM 284 CB ILE A 19 1.555 4.318 8.420 1.00 0.22 C ATOM 285 CG1 ILE A 19 2.669 5.300 8.799 1.00 0.28 C ATOM 286 CG2 ILE A 19 1.785 2.979 9.099 1.00 0.28 C ATOM 287 CD1 ILE A 19 2.759 5.577 10.284 1.00 0.56 C ATOM 0 H ILE A 19 1.240 6.191 6.634 1.00 0.20 H new ATOM 0 HA ILE A 19 2.300 3.446 6.597 1.00 0.19 H new ATOM 0 HB ILE A 19 0.600 4.721 8.756 1.00 0.22 H new ATOM 0 HG12 ILE A 19 3.624 4.903 8.454 1.00 0.28 H new ATOM 0 HG13 ILE A 19 2.506 6.240 8.273 1.00 0.28 H new ATOM 0 HG21 ILE A 19 1.816 3.120 10.179 1.00 0.28 H new ATOM 0 HG22 ILE A 19 0.973 2.298 8.845 1.00 0.28 H new ATOM 0 HG23 ILE A 19 2.731 2.557 8.760 1.00 0.28 H new ATOM 0 HD11 ILE A 19 3.570 6.280 10.474 1.00 0.56 H new ATOM 0 HD12 ILE A 19 1.819 6.005 10.632 1.00 0.56 H new ATOM 0 HD13 ILE A 19 2.953 4.646 10.817 1.00 0.56 H new ATOM 299 N ILE A 20 0.151 2.300 6.081 1.00 0.15 N ATOM 300 CA ILE A 20 -1.064 1.665 5.594 1.00 0.15 C ATOM 301 C ILE A 20 -1.312 0.337 6.293 1.00 0.15 C ATOM 302 O ILE A 20 -0.449 -0.548 6.301 1.00 0.16 O ATOM 303 CB ILE A 20 -1.000 1.401 4.076 1.00 0.17 C ATOM 304 CG1 ILE A 20 -0.718 2.692 3.312 1.00 0.20 C ATOM 305 CG2 ILE A 20 -2.303 0.775 3.601 1.00 0.20 C ATOM 306 CD1 ILE A 20 -0.468 2.485 1.832 1.00 0.21 C ATOM 0 H ILE A 20 0.971 1.694 6.088 1.00 0.15 H new ATOM 0 HA ILE A 20 -1.877 2.358 5.811 1.00 0.15 H new ATOM 0 HB ILE A 20 -0.183 0.707 3.879 1.00 0.17 H new ATOM 0 HG12 ILE A 20 -1.563 3.369 3.437 1.00 0.20 H new ATOM 0 HG13 ILE A 20 0.150 3.182 3.753 1.00 0.20 H new ATOM 0 HG21 ILE A 20 -2.249 0.592 2.528 1.00 0.20 H new ATOM 0 HG22 ILE A 20 -2.465 -0.169 4.122 1.00 0.20 H new ATOM 0 HG23 ILE A 20 -3.130 1.452 3.812 1.00 0.20 H new ATOM 0 HD11 ILE A 20 -0.275 3.447 1.357 1.00 0.21 H new ATOM 0 HD12 ILE A 20 0.396 1.834 1.696 1.00 0.21 H new ATOM 0 HD13 ILE A 20 -1.344 2.025 1.376 1.00 0.21 H new ATOM 318 N ALA A 21 -2.491 0.203 6.877 1.00 0.17 N ATOM 319 CA ALA A 21 -2.930 -1.073 7.410 1.00 0.18 C ATOM 320 C ALA A 21 -3.431 -1.947 6.273 1.00 0.17 C ATOM 321 O ALA A 21 -4.602 -1.892 5.900 1.00 0.20 O ATOM 322 CB ALA A 21 -4.028 -0.886 8.441 1.00 0.22 C ATOM 0 H ALA A 21 -3.161 0.963 6.993 1.00 0.17 H new ATOM 0 HA ALA A 21 -2.085 -1.554 7.902 1.00 0.18 H new ATOM 0 HB1 ALA A 21 -4.338 -1.859 8.823 1.00 0.22 H new ATOM 0 HB2 ALA A 21 -3.655 -0.275 9.263 1.00 0.22 H new ATOM 0 HB3 ALA A 21 -4.881 -0.390 7.978 1.00 0.22 H new ATOM 328 N HIS A 22 -2.537 -2.728 5.702 1.00 0.17 N ATOM 329 CA HIS A 22 -2.887 -3.579 4.579 1.00 0.19 C ATOM 330 C HIS A 22 -3.468 -4.892 5.069 1.00 0.21 C ATOM 331 O HIS A 22 -3.199 -5.315 6.193 1.00 0.21 O ATOM 332 CB HIS A 22 -1.667 -3.851 3.688 1.00 0.22 C ATOM 333 CG HIS A 22 -0.505 -4.463 4.415 1.00 0.21 C ATOM 334 ND1 HIS A 22 -0.466 -5.786 4.804 1.00 0.24 N ATOM 335 CD2 HIS A 22 0.666 -3.920 4.828 1.00 0.24 C ATOM 336 CE1 HIS A 22 0.674 -6.029 5.422 1.00 0.27 C ATOM 337 NE2 HIS A 22 1.380 -4.914 5.451 1.00 0.27 N ATOM 0 H HIS A 22 -1.562 -2.792 5.996 1.00 0.17 H new ATOM 0 HA HIS A 22 -3.637 -3.055 3.986 1.00 0.19 H new ATOM 0 HB2 HIS A 22 -1.964 -4.514 2.875 1.00 0.22 H new ATOM 0 HB3 HIS A 22 -1.345 -2.914 3.234 1.00 0.22 H new ATOM 0 HD1 HIS A 22 -1.204 -6.470 4.639 1.00 0.24 H new ATOM 0 HD2 HIS A 22 0.980 -2.895 4.692 1.00 0.24 H new ATOM 0 HE1 HIS A 22 0.978 -6.980 5.835 1.00 0.27 H new ATOM 346 N GLU A 23 -4.257 -5.522 4.218 1.00 0.26 N ATOM 347 CA GLU A 23 -4.801 -6.842 4.495 1.00 0.31 C ATOM 348 C GLU A 23 -3.708 -7.891 4.440 1.00 0.33 C ATOM 349 O GLU A 23 -2.517 -7.571 4.339 1.00 0.32 O ATOM 350 CB GLU A 23 -5.866 -7.203 3.465 1.00 0.42 C ATOM 351 CG GLU A 23 -7.077 -6.294 3.484 1.00 1.27 C ATOM 352 CD GLU A 23 -7.768 -6.264 4.827 1.00 2.11 C ATOM 353 OE1 GLU A 23 -8.156 -7.343 5.322 1.00 2.23 O ATOM 354 OE2 GLU A 23 -7.900 -5.169 5.406 1.00 3.05 O ATOM 0 H GLU A 23 -4.539 -5.136 3.317 1.00 0.26 H new ATOM 0 HA GLU A 23 -5.240 -6.819 5.493 1.00 0.31 H new ATOM 0 HB2 GLU A 23 -5.419 -7.175 2.471 1.00 0.42 H new ATOM 0 HB3 GLU A 23 -6.192 -8.228 3.639 1.00 0.42 H new ATOM 0 HG2 GLU A 23 -6.770 -5.283 3.216 1.00 1.27 H new ATOM 0 HG3 GLU A 23 -7.785 -6.624 2.724 1.00 1.27 H new ATOM 361 N ALA A 24 -4.118 -9.143 4.497 1.00 0.41 N ATOM 362 CA ALA A 24 -3.199 -10.240 4.300 1.00 0.49 C ATOM 363 C ALA A 24 -2.754 -10.259 2.850 1.00 0.67 C ATOM 364 O ALA A 24 -3.569 -10.410 1.942 1.00 1.50 O ATOM 365 CB ALA A 24 -3.834 -11.566 4.672 1.00 0.56 C ATOM 0 H ALA A 24 -5.082 -9.423 4.678 1.00 0.41 H new ATOM 0 HA ALA A 24 -2.336 -10.096 4.950 1.00 0.49 H new ATOM 0 HB1 ALA A 24 -3.116 -12.371 4.512 1.00 0.56 H new ATOM 0 HB2 ALA A 24 -4.130 -11.546 5.721 1.00 0.56 H new ATOM 0 HB3 ALA A 24 -4.713 -11.735 4.050 1.00 0.56 H new ATOM 371 N ILE A 25 -1.468 -10.077 2.647 1.00 0.48 N ATOM 372 CA ILE A 25 -0.899 -10.004 1.311 1.00 0.48 C ATOM 373 C ILE A 25 -0.366 -11.361 0.883 1.00 0.58 C ATOM 374 O ILE A 25 0.709 -11.767 1.313 1.00 0.63 O ATOM 375 CB ILE A 25 0.261 -8.991 1.242 1.00 0.41 C ATOM 376 CG1 ILE A 25 -0.151 -7.645 1.835 1.00 0.35 C ATOM 377 CG2 ILE A 25 0.717 -8.820 -0.199 1.00 0.47 C ATOM 378 CD1 ILE A 25 0.985 -6.644 1.887 1.00 0.58 C ATOM 0 H ILE A 25 -0.785 -9.975 3.398 1.00 0.48 H new ATOM 0 HA ILE A 25 -1.699 -9.682 0.645 1.00 0.48 H new ATOM 0 HB ILE A 25 1.091 -9.378 1.833 1.00 0.41 H new ATOM 0 HG12 ILE A 25 -0.967 -7.229 1.244 1.00 0.35 H new ATOM 0 HG13 ILE A 25 -0.535 -7.801 2.843 1.00 0.35 H new ATOM 0 HG21 ILE A 25 1.537 -8.103 -0.239 1.00 0.47 H new ATOM 0 HG22 ILE A 25 1.055 -9.780 -0.590 1.00 0.47 H new ATOM 0 HG23 ILE A 25 -0.114 -8.455 -0.803 1.00 0.47 H new ATOM 0 HD11 ILE A 25 0.627 -5.709 2.318 1.00 0.58 H new ATOM 0 HD12 ILE A 25 1.792 -7.042 2.502 1.00 0.58 H new ATOM 0 HD13 ILE A 25 1.354 -6.460 0.878 1.00 0.58 H new ATOM 390 N PRO A 26 -1.103 -12.079 0.028 1.00 0.66 N ATOM 391 CA PRO A 26 -0.670 -13.383 -0.481 1.00 0.77 C ATOM 392 C PRO A 26 0.607 -13.263 -1.305 1.00 0.80 C ATOM 393 O PRO A 26 1.485 -14.122 -1.237 1.00 0.96 O ATOM 394 CB PRO A 26 -1.843 -13.835 -1.362 1.00 0.87 C ATOM 395 CG PRO A 26 -3.003 -13.010 -0.912 1.00 0.97 C ATOM 396 CD PRO A 26 -2.418 -11.693 -0.508 1.00 0.70 C ATOM 0 HA PRO A 26 -0.438 -14.086 0.319 1.00 0.77 H new ATOM 0 HB2 PRO A 26 -1.629 -13.672 -2.418 1.00 0.87 H new ATOM 0 HB3 PRO A 26 -2.043 -14.899 -1.237 1.00 0.87 H new ATOM 0 HG2 PRO A 26 -3.732 -12.887 -1.713 1.00 0.97 H new ATOM 0 HG3 PRO A 26 -3.522 -13.482 -0.078 1.00 0.97 H new ATOM 0 HD2 PRO A 26 -2.327 -11.013 -1.355 1.00 0.70 H new ATOM 0 HD3 PRO A 26 -3.030 -11.190 0.241 1.00 0.70 H new ATOM 404 N SER A 27 0.716 -12.165 -2.050 1.00 0.72 N ATOM 405 CA SER A 27 1.871 -11.910 -2.907 1.00 0.74 C ATOM 406 C SER A 27 3.179 -11.882 -2.112 1.00 0.73 C ATOM 407 O SER A 27 4.231 -12.264 -2.622 1.00 0.80 O ATOM 408 CB SER A 27 1.674 -10.583 -3.645 1.00 0.73 C ATOM 409 OG SER A 27 0.515 -10.632 -4.462 1.00 1.10 O ATOM 0 H SER A 27 0.009 -11.430 -2.077 1.00 0.72 H new ATOM 0 HA SER A 27 1.946 -12.727 -3.625 1.00 0.74 H new ATOM 0 HB2 SER A 27 1.583 -9.770 -2.924 1.00 0.73 H new ATOM 0 HB3 SER A 27 2.549 -10.369 -4.259 1.00 0.73 H new ATOM 0 HG SER A 27 0.404 -9.775 -4.924 1.00 1.10 H new ATOM 415 N ALA A 28 3.106 -11.444 -0.862 1.00 0.69 N ATOM 416 CA ALA A 28 4.294 -11.346 -0.024 1.00 0.74 C ATOM 417 C ALA A 28 4.218 -12.310 1.153 1.00 0.79 C ATOM 418 O ALA A 28 5.115 -12.349 1.990 1.00 0.89 O ATOM 419 CB ALA A 28 4.465 -9.918 0.470 1.00 0.72 C ATOM 0 H ALA A 28 2.241 -11.152 -0.407 1.00 0.69 H new ATOM 0 HA ALA A 28 5.160 -11.621 -0.625 1.00 0.74 H new ATOM 0 HB1 ALA A 28 5.355 -9.854 1.096 1.00 0.72 H new ATOM 0 HB2 ALA A 28 4.572 -9.248 -0.383 1.00 0.72 H new ATOM 0 HB3 ALA A 28 3.591 -9.627 1.052 1.00 0.72 H new ATOM 425 N GLN A 29 3.147 -13.103 1.186 1.00 0.77 N ATOM 426 CA GLN A 29 2.870 -14.011 2.301 1.00 0.82 C ATOM 427 C GLN A 29 2.779 -13.253 3.623 1.00 0.81 C ATOM 428 O GLN A 29 3.042 -13.807 4.691 1.00 0.96 O ATOM 429 CB GLN A 29 3.918 -15.125 2.402 1.00 0.99 C ATOM 430 CG GLN A 29 3.611 -16.330 1.525 1.00 1.21 C ATOM 431 CD GLN A 29 4.313 -16.310 0.178 1.00 1.37 C ATOM 432 OE1 GLN A 29 4.606 -17.363 -0.387 1.00 2.21 O ATOM 433 NE2 GLN A 29 4.598 -15.129 -0.342 1.00 1.29 N ATOM 0 H GLN A 29 2.448 -13.135 0.443 1.00 0.77 H new ATOM 0 HA GLN A 29 1.904 -14.474 2.099 1.00 0.82 H new ATOM 0 HB2 GLN A 29 4.892 -14.722 2.124 1.00 0.99 H new ATOM 0 HB3 GLN A 29 3.992 -15.450 3.440 1.00 0.99 H new ATOM 0 HG2 GLN A 29 3.897 -17.237 2.058 1.00 1.21 H new ATOM 0 HG3 GLN A 29 2.535 -16.382 1.361 1.00 1.21 H new ATOM 0 HE21 GLN A 29 4.339 -14.277 0.155 1.00 1.29 H new ATOM 0 HE22 GLN A 29 5.076 -15.070 -1.241 1.00 1.29 H new ATOM 442 N TRP A 30 2.374 -11.994 3.549 1.00 0.70 N ATOM 443 CA TRP A 30 2.236 -11.166 4.738 1.00 0.73 C ATOM 444 C TRP A 30 0.842 -11.274 5.315 1.00 0.73 C ATOM 445 O TRP A 30 -0.113 -11.604 4.613 1.00 1.02 O ATOM 446 CB TRP A 30 2.511 -9.694 4.436 1.00 0.70 C ATOM 447 CG TRP A 30 3.964 -9.356 4.296 1.00 0.74 C ATOM 448 CD1 TRP A 30 5.022 -10.213 4.406 1.00 0.95 C ATOM 449 CD2 TRP A 30 4.522 -8.063 4.024 1.00 0.65 C ATOM 450 NE1 TRP A 30 6.197 -9.535 4.215 1.00 0.94 N ATOM 451 CE2 TRP A 30 5.920 -8.215 3.981 1.00 0.75 C ATOM 452 CE3 TRP A 30 3.980 -6.790 3.813 1.00 0.64 C ATOM 453 CZ2 TRP A 30 6.780 -7.151 3.732 1.00 0.74 C ATOM 454 CZ3 TRP A 30 4.835 -5.732 3.569 1.00 0.72 C ATOM 455 CH2 TRP A 30 6.224 -5.919 3.529 1.00 0.72 C ATOM 0 H TRP A 30 2.135 -11.523 2.677 1.00 0.70 H new ATOM 0 HA TRP A 30 2.970 -11.533 5.456 1.00 0.73 H new ATOM 0 HB2 TRP A 30 1.996 -9.421 3.515 1.00 0.70 H new ATOM 0 HB3 TRP A 30 2.083 -9.085 5.233 1.00 0.70 H new ATOM 0 HD1 TRP A 30 4.944 -11.270 4.613 1.00 0.95 H new ATOM 0 HE1 TRP A 30 7.129 -9.948 4.243 1.00 0.94 H new ATOM 0 HE3 TRP A 30 2.911 -6.637 3.840 1.00 0.64 H new ATOM 0 HZ2 TRP A 30 7.850 -7.293 3.700 1.00 0.74 H new ATOM 0 HZ3 TRP A 30 4.427 -4.745 3.407 1.00 0.72 H new ATOM 0 HH2 TRP A 30 6.867 -5.073 3.334 1.00 0.72 H new ATOM 466 N GLY A 31 0.737 -10.986 6.593 1.00 0.62 N ATOM 467 CA GLY A 31 -0.555 -10.890 7.216 1.00 0.71 C ATOM 468 C GLY A 31 -1.069 -9.467 7.203 1.00 0.78 C ATOM 469 O GLY A 31 -0.448 -8.576 6.618 1.00 1.67 O ATOM 0 H GLY A 31 1.528 -10.816 7.214 1.00 0.62 H new ATOM 0 HA2 GLY A 31 -1.260 -11.538 6.696 1.00 0.71 H new ATOM 0 HA3 GLY A 31 -0.492 -11.247 8.244 1.00 0.71 H new ATOM 473 N ALA A 32 -2.198 -9.258 7.841 1.00 0.52 N ATOM 474 CA ALA A 32 -2.807 -7.943 7.928 1.00 0.41 C ATOM 475 C ALA A 32 -2.144 -7.135 9.030 1.00 0.42 C ATOM 476 O ALA A 32 -2.200 -7.503 10.204 1.00 0.57 O ATOM 477 CB ALA A 32 -4.302 -8.063 8.176 1.00 0.44 C ATOM 0 H ALA A 32 -2.723 -9.993 8.316 1.00 0.52 H new ATOM 0 HA ALA A 32 -2.661 -7.425 6.980 1.00 0.41 H new ATOM 0 HB1 ALA A 32 -4.742 -7.067 8.238 1.00 0.44 H new ATOM 0 HB2 ALA A 32 -4.764 -8.613 7.356 1.00 0.44 H new ATOM 0 HB3 ALA A 32 -4.474 -8.595 9.112 1.00 0.44 H new ATOM 483 N MET A 33 -1.504 -6.045 8.646 1.00 0.33 N ATOM 484 CA MET A 33 -0.775 -5.212 9.590 1.00 0.32 C ATOM 485 C MET A 33 -0.468 -3.857 8.983 1.00 0.27 C ATOM 486 O MET A 33 -0.452 -3.698 7.758 1.00 0.26 O ATOM 487 CB MET A 33 0.518 -5.895 10.052 1.00 0.39 C ATOM 488 CG MET A 33 1.257 -6.635 8.951 1.00 0.49 C ATOM 489 SD MET A 33 2.947 -7.062 9.418 1.00 0.56 S ATOM 490 CE MET A 33 3.482 -7.989 7.980 1.00 0.84 C ATOM 0 H MET A 33 -1.474 -5.713 7.682 1.00 0.33 H new ATOM 0 HA MET A 33 -1.411 -5.067 10.463 1.00 0.32 H new ATOM 0 HB2 MET A 33 1.182 -5.142 10.478 1.00 0.39 H new ATOM 0 HB3 MET A 33 0.280 -6.598 10.850 1.00 0.39 H new ATOM 0 HG2 MET A 33 0.712 -7.545 8.700 1.00 0.49 H new ATOM 0 HG3 MET A 33 1.277 -6.018 8.053 1.00 0.49 H new ATOM 0 HE1 MET A 33 4.511 -8.320 8.122 1.00 0.84 H new ATOM 0 HE2 MET A 33 2.837 -8.857 7.846 1.00 0.84 H new ATOM 0 HE3 MET A 33 3.424 -7.354 7.096 1.00 0.84 H new ATOM 500 N THR A 34 -0.222 -2.891 9.846 1.00 0.28 N ATOM 501 CA THR A 34 0.006 -1.526 9.432 1.00 0.27 C ATOM 502 C THR A 34 1.487 -1.289 9.137 1.00 0.25 C ATOM 503 O THR A 34 2.310 -1.164 10.045 1.00 0.31 O ATOM 504 CB THR A 34 -0.493 -0.557 10.517 1.00 0.35 C ATOM 505 OG1 THR A 34 -1.814 -0.933 10.917 1.00 0.75 O ATOM 506 CG2 THR A 34 -0.520 0.869 10.010 1.00 0.46 C ATOM 0 H THR A 34 -0.175 -3.034 10.855 1.00 0.28 H new ATOM 0 HA THR A 34 -0.553 -1.342 8.514 1.00 0.27 H new ATOM 0 HB THR A 34 0.193 -0.612 11.363 1.00 0.35 H new ATOM 0 HG1 THR A 34 -2.134 -0.318 11.610 1.00 0.75 H new ATOM 0 HG21 THR A 34 -0.877 1.529 10.800 1.00 0.46 H new ATOM 0 HG22 THR A 34 0.485 1.169 9.713 1.00 0.46 H new ATOM 0 HG23 THR A 34 -1.187 0.937 9.151 1.00 0.46 H new ATOM 514 N MET A 35 1.817 -1.245 7.855 1.00 0.21 N ATOM 515 CA MET A 35 3.201 -1.098 7.419 1.00 0.24 C ATOM 516 C MET A 35 3.446 0.290 6.833 1.00 0.21 C ATOM 517 O MET A 35 2.535 0.903 6.275 1.00 0.29 O ATOM 518 CB MET A 35 3.545 -2.173 6.381 1.00 0.31 C ATOM 519 CG MET A 35 4.984 -2.114 5.883 1.00 1.05 C ATOM 520 SD MET A 35 6.188 -2.304 7.215 1.00 1.60 S ATOM 521 CE MET A 35 5.808 -3.960 7.783 1.00 1.45 C ATOM 0 H MET A 35 1.142 -1.309 7.093 1.00 0.21 H new ATOM 0 HA MET A 35 3.845 -1.221 8.289 1.00 0.24 H new ATOM 0 HB2 MET A 35 3.362 -3.156 6.816 1.00 0.31 H new ATOM 0 HB3 MET A 35 2.872 -2.070 5.530 1.00 0.31 H new ATOM 0 HG2 MET A 35 5.141 -2.898 5.142 1.00 1.05 H new ATOM 0 HG3 MET A 35 5.152 -1.162 5.380 1.00 1.05 H new ATOM 0 HE1 MET A 35 6.629 -4.332 8.396 1.00 1.45 H new ATOM 0 HE2 MET A 35 4.893 -3.941 8.375 1.00 1.45 H new ATOM 0 HE3 MET A 35 5.670 -4.617 6.924 1.00 1.45 H new ATOM 531 N GLU A 36 4.671 0.775 6.976 1.00 0.24 N ATOM 532 CA GLU A 36 5.068 2.061 6.422 1.00 0.26 C ATOM 533 C GLU A 36 5.583 1.882 4.997 1.00 0.25 C ATOM 534 O GLU A 36 6.453 1.044 4.744 1.00 0.34 O ATOM 535 CB GLU A 36 6.155 2.690 7.297 1.00 0.35 C ATOM 536 CG GLU A 36 6.629 4.053 6.818 1.00 0.46 C ATOM 537 CD GLU A 36 7.831 4.547 7.596 1.00 0.63 C ATOM 538 OE1 GLU A 36 7.682 4.850 8.798 1.00 0.89 O ATOM 539 OE2 GLU A 36 8.927 4.637 7.009 1.00 1.00 O ATOM 0 H GLU A 36 5.415 0.290 7.477 1.00 0.24 H new ATOM 0 HA GLU A 36 4.201 2.721 6.401 1.00 0.26 H new ATOM 0 HB2 GLU A 36 5.776 2.786 8.314 1.00 0.35 H new ATOM 0 HB3 GLU A 36 7.009 2.014 7.338 1.00 0.35 H new ATOM 0 HG2 GLU A 36 6.882 3.996 5.759 1.00 0.46 H new ATOM 0 HG3 GLU A 36 5.816 4.773 6.913 1.00 0.46 H new ATOM 546 N PHE A 37 5.044 2.663 4.076 1.00 0.21 N ATOM 547 CA PHE A 37 5.436 2.582 2.677 1.00 0.20 C ATOM 548 C PHE A 37 6.049 3.901 2.229 1.00 0.23 C ATOM 549 O PHE A 37 5.544 4.975 2.561 1.00 0.37 O ATOM 550 CB PHE A 37 4.231 2.236 1.793 1.00 0.24 C ATOM 551 CG PHE A 37 3.655 0.869 2.048 1.00 0.21 C ATOM 552 CD1 PHE A 37 4.127 -0.238 1.360 1.00 0.28 C ATOM 553 CD2 PHE A 37 2.647 0.691 2.981 1.00 0.26 C ATOM 554 CE1 PHE A 37 3.601 -1.494 1.596 1.00 0.31 C ATOM 555 CE2 PHE A 37 2.119 -0.563 3.221 1.00 0.25 C ATOM 556 CZ PHE A 37 2.586 -1.655 2.512 1.00 0.25 C ATOM 0 H PHE A 37 4.330 3.364 4.272 1.00 0.21 H new ATOM 0 HA PHE A 37 6.177 1.790 2.574 1.00 0.20 H new ATOM 0 HB2 PHE A 37 3.452 2.982 1.951 1.00 0.24 H new ATOM 0 HB3 PHE A 37 4.530 2.303 0.747 1.00 0.24 H new ATOM 0 HD1 PHE A 37 4.915 -0.118 0.631 1.00 0.28 H new ATOM 0 HD2 PHE A 37 2.269 1.543 3.527 1.00 0.26 H new ATOM 0 HE1 PHE A 37 3.986 -2.350 1.062 1.00 0.31 H new ATOM 0 HE2 PHE A 37 1.343 -0.690 3.961 1.00 0.25 H new ATOM 0 HZ PHE A 37 2.155 -2.632 2.677 1.00 0.25 H new ATOM 566 N ALA A 38 7.143 3.817 1.493 1.00 0.19 N ATOM 567 CA ALA A 38 7.823 5.004 0.998 1.00 0.21 C ATOM 568 C ALA A 38 7.333 5.339 -0.402 1.00 0.24 C ATOM 569 O ALA A 38 7.114 4.441 -1.212 1.00 0.34 O ATOM 570 CB ALA A 38 9.330 4.797 1.004 1.00 0.28 C ATOM 0 H ALA A 38 7.582 2.937 1.223 1.00 0.19 H new ATOM 0 HA ALA A 38 7.593 5.841 1.657 1.00 0.21 H new ATOM 0 HB1 ALA A 38 9.822 5.695 0.631 1.00 0.28 H new ATOM 0 HB2 ALA A 38 9.666 4.596 2.021 1.00 0.28 H new ATOM 0 HB3 ALA A 38 9.584 3.952 0.364 1.00 0.28 H new ATOM 576 N ALA A 39 7.157 6.622 -0.677 1.00 0.26 N ATOM 577 CA ALA A 39 6.654 7.058 -1.967 1.00 0.35 C ATOM 578 C ALA A 39 7.798 7.394 -2.913 1.00 0.42 C ATOM 579 O ALA A 39 8.881 7.792 -2.473 1.00 0.56 O ATOM 580 CB ALA A 39 5.749 8.268 -1.794 1.00 0.60 C ATOM 0 H ALA A 39 7.356 7.379 -0.023 1.00 0.26 H new ATOM 0 HA ALA A 39 6.079 6.240 -2.402 1.00 0.35 H new ATOM 0 HB1 ALA A 39 5.377 8.587 -2.768 1.00 0.60 H new ATOM 0 HB2 ALA A 39 4.908 8.004 -1.153 1.00 0.60 H new ATOM 0 HB3 ALA A 39 6.312 9.081 -1.337 1.00 0.60 H new ATOM 586 N PRO A 40 7.576 7.229 -4.225 1.00 0.60 N ATOM 587 CA PRO A 40 8.554 7.615 -5.242 1.00 0.90 C ATOM 588 C PRO A 40 8.770 9.127 -5.256 1.00 0.96 C ATOM 589 O PRO A 40 7.925 9.885 -4.771 1.00 0.80 O ATOM 590 CB PRO A 40 7.914 7.149 -6.557 1.00 1.10 C ATOM 591 CG PRO A 40 6.457 7.047 -6.264 1.00 1.00 C ATOM 592 CD PRO A 40 6.357 6.652 -4.817 1.00 0.71 C ATOM 0 HA PRO A 40 9.536 7.176 -5.065 1.00 0.90 H new ATOM 0 HB2 PRO A 40 8.106 7.859 -7.362 1.00 1.10 H new ATOM 0 HB3 PRO A 40 8.320 6.189 -6.875 1.00 1.10 H new ATOM 0 HG2 PRO A 40 5.954 7.997 -6.446 1.00 1.00 H new ATOM 0 HG3 PRO A 40 5.980 6.306 -6.906 1.00 1.00 H new ATOM 0 HD2 PRO A 40 5.456 7.051 -4.352 1.00 0.71 H new ATOM 0 HD3 PRO A 40 6.325 5.569 -4.697 1.00 0.71 H new ATOM 600 N PRO A 41 9.905 9.589 -5.807 1.00 1.32 N ATOM 601 CA PRO A 41 10.233 11.021 -5.884 1.00 1.56 C ATOM 602 C PRO A 41 9.172 11.823 -6.635 1.00 1.53 C ATOM 603 O PRO A 41 9.137 13.050 -6.563 1.00 1.74 O ATOM 604 CB PRO A 41 11.568 11.048 -6.636 1.00 1.94 C ATOM 605 CG PRO A 41 12.141 9.686 -6.449 1.00 2.05 C ATOM 606 CD PRO A 41 10.969 8.751 -6.386 1.00 1.62 C ATOM 0 HA PRO A 41 10.282 11.479 -4.896 1.00 1.56 H new ATOM 0 HB2 PRO A 41 11.422 11.273 -7.692 1.00 1.94 H new ATOM 0 HB3 PRO A 41 12.232 11.814 -6.235 1.00 1.94 H new ATOM 0 HG2 PRO A 41 12.805 9.425 -7.273 1.00 2.05 H new ATOM 0 HG3 PRO A 41 12.732 9.633 -5.535 1.00 2.05 H new ATOM 0 HD2 PRO A 41 10.697 8.379 -7.374 1.00 1.62 H new ATOM 0 HD3 PRO A 41 11.180 7.881 -5.764 1.00 1.62 H new ATOM 614 N ALA A 42 8.310 11.114 -7.355 1.00 1.33 N ATOM 615 CA ALA A 42 7.206 11.732 -8.073 1.00 1.29 C ATOM 616 C ALA A 42 6.254 12.448 -7.115 1.00 1.14 C ATOM 617 O ALA A 42 5.787 13.549 -7.404 1.00 1.25 O ATOM 618 CB ALA A 42 6.454 10.682 -8.875 1.00 1.28 C ATOM 0 H ALA A 42 8.358 10.100 -7.456 1.00 1.33 H new ATOM 0 HA ALA A 42 7.618 12.476 -8.755 1.00 1.29 H new ATOM 0 HB1 ALA A 42 5.629 11.154 -9.409 1.00 1.28 H new ATOM 0 HB2 ALA A 42 7.131 10.217 -9.591 1.00 1.28 H new ATOM 0 HB3 ALA A 42 6.061 9.921 -8.200 1.00 1.28 H new ATOM 624 N GLY A 43 5.977 11.825 -5.977 1.00 0.93 N ATOM 625 CA GLY A 43 5.078 12.416 -5.008 1.00 0.86 C ATOM 626 C GLY A 43 3.743 11.701 -4.952 1.00 0.66 C ATOM 627 O GLY A 43 3.422 10.902 -5.832 1.00 0.67 O ATOM 0 H GLY A 43 6.360 10.919 -5.708 1.00 0.93 H new ATOM 0 HA2 GLY A 43 5.543 12.391 -4.022 1.00 0.86 H new ATOM 0 HA3 GLY A 43 4.916 13.465 -5.258 1.00 0.86 H new ATOM 631 N LEU A 44 2.962 12.005 -3.926 1.00 0.62 N ATOM 632 CA LEU A 44 1.700 11.312 -3.687 1.00 0.50 C ATOM 633 C LEU A 44 0.537 11.970 -4.420 1.00 0.54 C ATOM 634 O LEU A 44 0.457 13.198 -4.518 1.00 0.61 O ATOM 635 CB LEU A 44 1.365 11.267 -2.190 1.00 0.59 C ATOM 636 CG LEU A 44 2.260 10.380 -1.318 1.00 0.63 C ATOM 637 CD1 LEU A 44 2.385 8.992 -1.926 1.00 0.97 C ATOM 638 CD2 LEU A 44 3.629 11.017 -1.108 1.00 0.87 C ATOM 0 H LEU A 44 3.179 12.730 -3.242 1.00 0.62 H new ATOM 0 HA LEU A 44 1.835 10.300 -4.069 1.00 0.50 H new ATOM 0 HB2 LEU A 44 1.407 12.284 -1.800 1.00 0.59 H new ATOM 0 HB3 LEU A 44 0.335 10.926 -2.080 1.00 0.59 H new ATOM 0 HG LEU A 44 1.793 10.281 -0.338 1.00 0.63 H new ATOM 0 HD11 LEU A 44 3.024 8.374 -1.295 1.00 0.97 H new ATOM 0 HD12 LEU A 44 1.397 8.536 -1.999 1.00 0.97 H new ATOM 0 HD13 LEU A 44 2.823 9.069 -2.921 1.00 0.97 H new ATOM 0 HD21 LEU A 44 4.242 10.365 -0.486 1.00 0.87 H new ATOM 0 HD22 LEU A 44 4.116 11.160 -2.073 1.00 0.87 H new ATOM 0 HD23 LEU A 44 3.510 11.982 -0.615 1.00 0.87 H new ATOM 650 N PRO A 45 -0.374 11.141 -4.946 1.00 0.54 N ATOM 651 CA PRO A 45 -1.637 11.596 -5.516 1.00 0.61 C ATOM 652 C PRO A 45 -2.690 11.821 -4.444 1.00 0.56 C ATOM 653 O PRO A 45 -2.390 11.868 -3.249 1.00 0.51 O ATOM 654 CB PRO A 45 -2.060 10.442 -6.420 1.00 0.69 C ATOM 655 CG PRO A 45 -1.409 9.223 -5.854 1.00 0.64 C ATOM 656 CD PRO A 45 -0.225 9.680 -5.034 1.00 0.54 C ATOM 0 HA PRO A 45 -1.529 12.547 -6.037 1.00 0.61 H new ATOM 0 HB2 PRO A 45 -3.145 10.335 -6.436 1.00 0.69 H new ATOM 0 HB3 PRO A 45 -1.742 10.614 -7.448 1.00 0.69 H new ATOM 0 HG2 PRO A 45 -2.112 8.665 -5.235 1.00 0.64 H new ATOM 0 HG3 PRO A 45 -1.087 8.554 -6.652 1.00 0.64 H new ATOM 0 HD2 PRO A 45 -0.227 9.221 -4.045 1.00 0.54 H new ATOM 0 HD3 PRO A 45 0.716 9.406 -5.510 1.00 0.54 H new ATOM 664 N GLN A 46 -3.921 11.952 -4.884 1.00 0.62 N ATOM 665 CA GLN A 46 -5.040 12.144 -3.992 1.00 0.61 C ATOM 666 C GLN A 46 -5.933 10.909 -4.007 1.00 0.57 C ATOM 667 O GLN A 46 -5.819 10.062 -4.895 1.00 0.64 O ATOM 668 CB GLN A 46 -5.832 13.400 -4.387 1.00 0.79 C ATOM 669 CG GLN A 46 -6.453 13.362 -5.783 1.00 1.44 C ATOM 670 CD GLN A 46 -5.442 13.371 -6.916 1.00 1.70 C ATOM 671 OE1 GLN A 46 -4.975 14.429 -7.336 1.00 2.12 O ATOM 672 NE2 GLN A 46 -5.142 12.199 -7.459 1.00 1.82 N ATOM 0 H GLN A 46 -4.174 11.928 -5.872 1.00 0.62 H new ATOM 0 HA GLN A 46 -4.666 12.288 -2.978 1.00 0.61 H new ATOM 0 HB2 GLN A 46 -6.626 13.554 -3.657 1.00 0.79 H new ATOM 0 HB3 GLN A 46 -5.169 14.263 -4.324 1.00 0.79 H new ATOM 0 HG2 GLN A 46 -7.070 12.468 -5.869 1.00 1.44 H new ATOM 0 HG3 GLN A 46 -7.116 14.219 -5.897 1.00 1.44 H new ATOM 0 HE21 GLN A 46 -5.550 11.343 -7.082 1.00 1.82 H new ATOM 0 HE22 GLN A 46 -4.504 12.153 -8.253 1.00 1.82 H new ATOM 681 N GLY A 47 -6.803 10.806 -3.017 1.00 0.57 N ATOM 682 CA GLY A 47 -7.685 9.660 -2.909 1.00 0.60 C ATOM 683 C GLY A 47 -7.080 8.555 -2.071 1.00 0.55 C ATOM 684 O GLY A 47 -7.450 7.388 -2.204 1.00 0.63 O ATOM 0 H GLY A 47 -6.916 11.501 -2.279 1.00 0.57 H new ATOM 0 HA2 GLY A 47 -8.632 9.972 -2.468 1.00 0.60 H new ATOM 0 HA3 GLY A 47 -7.907 9.279 -3.906 1.00 0.60 H new ATOM 688 N LEU A 48 -6.128 8.922 -1.224 1.00 0.47 N ATOM 689 CA LEU A 48 -5.442 7.968 -0.374 1.00 0.49 C ATOM 690 C LEU A 48 -5.269 8.499 1.051 1.00 0.38 C ATOM 691 O LEU A 48 -4.187 8.403 1.631 1.00 0.47 O ATOM 692 CB LEU A 48 -4.082 7.634 -0.995 1.00 0.64 C ATOM 693 CG LEU A 48 -3.320 8.804 -1.650 1.00 0.64 C ATOM 694 CD1 LEU A 48 -2.999 9.916 -0.661 1.00 0.59 C ATOM 695 CD2 LEU A 48 -2.038 8.297 -2.278 1.00 1.06 C ATOM 0 H LEU A 48 -5.813 9.885 -1.109 1.00 0.47 H new ATOM 0 HA LEU A 48 -6.048 7.065 -0.305 1.00 0.49 H new ATOM 0 HB2 LEU A 48 -3.448 7.206 -0.219 1.00 0.64 H new ATOM 0 HB3 LEU A 48 -4.231 6.860 -1.748 1.00 0.64 H new ATOM 0 HG LEU A 48 -3.973 9.225 -2.415 1.00 0.64 H new ATOM 0 HD11 LEU A 48 -2.463 10.715 -1.173 1.00 0.59 H new ATOM 0 HD12 LEU A 48 -3.925 10.311 -0.244 1.00 0.59 H new ATOM 0 HD13 LEU A 48 -2.379 9.520 0.143 1.00 0.59 H new ATOM 0 HD21 LEU A 48 -1.505 9.129 -2.739 1.00 1.06 H new ATOM 0 HD22 LEU A 48 -1.411 7.845 -1.510 1.00 1.06 H new ATOM 0 HD23 LEU A 48 -2.275 7.552 -3.038 1.00 1.06 H new ATOM 707 N LYS A 49 -6.346 8.996 1.643 1.00 0.32 N ATOM 708 CA LYS A 49 -6.250 9.671 2.932 1.00 0.34 C ATOM 709 C LYS A 49 -6.539 8.698 4.067 1.00 0.29 C ATOM 710 O LYS A 49 -7.104 7.629 3.839 1.00 0.27 O ATOM 711 CB LYS A 49 -7.228 10.850 3.010 1.00 0.48 C ATOM 712 CG LYS A 49 -8.693 10.435 3.068 1.00 1.15 C ATOM 713 CD LYS A 49 -9.604 11.614 3.378 1.00 1.58 C ATOM 714 CE LYS A 49 -9.643 12.623 2.239 1.00 2.11 C ATOM 715 NZ LYS A 49 -10.322 12.082 1.029 1.00 3.00 N ATOM 0 H LYS A 49 -7.289 8.946 1.257 1.00 0.32 H new ATOM 0 HA LYS A 49 -5.233 10.050 3.032 1.00 0.34 H new ATOM 0 HB2 LYS A 49 -6.994 11.445 3.893 1.00 0.48 H new ATOM 0 HB3 LYS A 49 -7.077 11.493 2.143 1.00 0.48 H new ATOM 0 HG2 LYS A 49 -8.983 9.993 2.115 1.00 1.15 H new ATOM 0 HG3 LYS A 49 -8.823 9.666 3.829 1.00 1.15 H new ATOM 0 HD2 LYS A 49 -10.613 11.250 3.574 1.00 1.58 H new ATOM 0 HD3 LYS A 49 -9.261 12.108 4.287 1.00 1.58 H new ATOM 0 HE2 LYS A 49 -10.160 13.523 2.571 1.00 2.11 H new ATOM 0 HE3 LYS A 49 -8.625 12.917 1.981 1.00 2.11 H new ATOM 0 HZ1 LYS A 49 -10.491 12.853 0.352 1.00 3.00 H new ATOM 0 HZ2 LYS A 49 -9.719 11.359 0.587 1.00 3.00 H new ATOM 0 HZ3 LYS A 49 -11.230 11.656 1.302 1.00 3.00 H new ATOM 729 N ALA A 50 -6.123 9.071 5.281 1.00 0.31 N ATOM 730 CA ALA A 50 -6.380 8.273 6.476 1.00 0.30 C ATOM 731 C ALA A 50 -7.833 7.809 6.531 1.00 0.29 C ATOM 732 O ALA A 50 -8.745 8.599 6.796 1.00 0.35 O ATOM 733 CB ALA A 50 -6.038 9.078 7.719 1.00 0.37 C ATOM 0 H ALA A 50 -5.602 9.930 5.459 1.00 0.31 H new ATOM 0 HA ALA A 50 -5.747 7.386 6.436 1.00 0.30 H new ATOM 0 HB1 ALA A 50 -6.232 8.476 8.607 1.00 0.37 H new ATOM 0 HB2 ALA A 50 -4.985 9.357 7.693 1.00 0.37 H new ATOM 0 HB3 ALA A 50 -6.651 9.978 7.750 1.00 0.37 H new ATOM 739 N GLY A 51 -8.041 6.529 6.266 1.00 0.27 N ATOM 740 CA GLY A 51 -9.377 5.980 6.269 1.00 0.30 C ATOM 741 C GLY A 51 -9.725 5.289 4.964 1.00 0.29 C ATOM 742 O GLY A 51 -10.559 4.381 4.947 1.00 0.38 O ATOM 0 H GLY A 51 -7.304 5.859 6.048 1.00 0.27 H new ATOM 0 HA2 GLY A 51 -9.472 5.269 7.089 1.00 0.30 H new ATOM 0 HA3 GLY A 51 -10.094 6.779 6.455 1.00 0.30 H new ATOM 746 N ASP A 52 -9.083 5.707 3.875 1.00 0.24 N ATOM 747 CA ASP A 52 -9.341 5.116 2.565 1.00 0.25 C ATOM 748 C ASP A 52 -8.798 3.704 2.496 1.00 0.24 C ATOM 749 O ASP A 52 -7.792 3.382 3.125 1.00 0.28 O ATOM 750 CB ASP A 52 -8.699 5.922 1.430 1.00 0.28 C ATOM 751 CG ASP A 52 -9.481 7.160 1.031 1.00 0.38 C ATOM 752 OD1 ASP A 52 -10.706 7.052 0.804 1.00 0.53 O ATOM 753 OD2 ASP A 52 -8.879 8.251 0.957 1.00 0.48 O ATOM 0 H ASP A 52 -8.384 6.449 3.874 1.00 0.24 H new ATOM 0 HA ASP A 52 -10.424 5.118 2.439 1.00 0.25 H new ATOM 0 HB2 ASP A 52 -7.696 6.221 1.733 1.00 0.28 H new ATOM 0 HB3 ASP A 52 -8.589 5.278 0.558 1.00 0.28 H new ATOM 758 N ARG A 53 -9.464 2.868 1.728 1.00 0.27 N ATOM 759 CA ARG A 53 -8.989 1.521 1.480 1.00 0.31 C ATOM 760 C ARG A 53 -8.585 1.419 0.020 1.00 0.31 C ATOM 761 O ARG A 53 -9.423 1.200 -0.846 1.00 0.50 O ATOM 762 CB ARG A 53 -10.076 0.503 1.819 1.00 0.45 C ATOM 763 CG ARG A 53 -9.540 -0.817 2.356 1.00 0.75 C ATOM 764 CD ARG A 53 -10.671 -1.756 2.745 1.00 1.03 C ATOM 765 NE ARG A 53 -10.204 -2.899 3.536 1.00 1.87 N ATOM 766 CZ ARG A 53 -11.009 -3.857 4.000 1.00 2.33 C ATOM 767 NH1 ARG A 53 -12.300 -3.845 3.689 1.00 2.43 N ATOM 768 NH2 ARG A 53 -10.525 -4.821 4.770 1.00 3.26 N ATOM 0 H ARG A 53 -10.341 3.098 1.262 1.00 0.27 H new ATOM 0 HA ARG A 53 -8.129 1.303 2.113 1.00 0.31 H new ATOM 0 HB2 ARG A 53 -10.749 0.938 2.558 1.00 0.45 H new ATOM 0 HB3 ARG A 53 -10.668 0.307 0.925 1.00 0.45 H new ATOM 0 HG2 ARG A 53 -8.914 -1.292 1.601 1.00 0.75 H new ATOM 0 HG3 ARG A 53 -8.906 -0.629 3.223 1.00 0.75 H new ATOM 0 HD2 ARG A 53 -11.417 -1.204 3.316 1.00 1.03 H new ATOM 0 HD3 ARG A 53 -11.164 -2.119 1.843 1.00 1.03 H new ATOM 0 HE ARG A 53 -9.208 -2.966 3.743 1.00 1.87 H new ATOM 0 HH11 ARG A 53 -12.675 -3.104 3.096 1.00 2.43 H new ATOM 0 HH12 ARG A 53 -12.917 -4.576 4.043 1.00 2.43 H new ATOM 0 HH21 ARG A 53 -9.534 -4.833 5.010 1.00 3.26 H new ATOM 0 HH22 ARG A 53 -11.144 -5.551 5.123 1.00 3.26 H new ATOM 782 N VAL A 54 -7.305 1.599 -0.241 1.00 0.19 N ATOM 783 CA VAL A 54 -6.803 1.757 -1.598 1.00 0.19 C ATOM 784 C VAL A 54 -6.154 0.475 -2.093 1.00 0.15 C ATOM 785 O VAL A 54 -5.649 -0.327 -1.303 1.00 0.19 O ATOM 786 CB VAL A 54 -5.779 2.914 -1.680 1.00 0.23 C ATOM 787 CG1 VAL A 54 -6.485 4.255 -1.559 1.00 0.30 C ATOM 788 CG2 VAL A 54 -4.731 2.768 -0.590 1.00 0.25 C ATOM 0 H VAL A 54 -6.583 1.640 0.478 1.00 0.19 H new ATOM 0 HA VAL A 54 -7.657 1.992 -2.233 1.00 0.19 H new ATOM 0 HB VAL A 54 -5.282 2.871 -2.649 1.00 0.23 H new ATOM 0 HG11 VAL A 54 -5.751 5.059 -1.618 1.00 0.30 H new ATOM 0 HG12 VAL A 54 -7.206 4.361 -2.369 1.00 0.30 H new ATOM 0 HG13 VAL A 54 -7.004 4.308 -0.602 1.00 0.30 H new ATOM 0 HG21 VAL A 54 -4.017 3.589 -0.659 1.00 0.25 H new ATOM 0 HG22 VAL A 54 -5.216 2.790 0.386 1.00 0.25 H new ATOM 0 HG23 VAL A 54 -4.207 1.820 -0.713 1.00 0.25 H new ATOM 798 N ALA A 55 -6.216 0.266 -3.393 1.00 0.14 N ATOM 799 CA ALA A 55 -5.530 -0.845 -4.024 1.00 0.13 C ATOM 800 C ALA A 55 -4.200 -0.361 -4.584 1.00 0.13 C ATOM 801 O ALA A 55 -4.167 0.552 -5.411 1.00 0.16 O ATOM 802 CB ALA A 55 -6.398 -1.444 -5.118 1.00 0.15 C ATOM 0 H ALA A 55 -6.740 0.857 -4.039 1.00 0.14 H new ATOM 0 HA ALA A 55 -5.337 -1.624 -3.287 1.00 0.13 H new ATOM 0 HB1 ALA A 55 -5.872 -2.277 -5.584 1.00 0.15 H new ATOM 0 HB2 ALA A 55 -7.333 -1.801 -4.686 1.00 0.15 H new ATOM 0 HB3 ALA A 55 -6.612 -0.684 -5.869 1.00 0.15 H new ATOM 808 N PHE A 56 -3.106 -0.948 -4.127 1.00 0.16 N ATOM 809 CA PHE A 56 -1.788 -0.448 -4.492 1.00 0.16 C ATOM 810 C PHE A 56 -0.807 -1.575 -4.769 1.00 0.15 C ATOM 811 O PHE A 56 -1.072 -2.738 -4.475 1.00 0.17 O ATOM 812 CB PHE A 56 -1.241 0.465 -3.385 1.00 0.19 C ATOM 813 CG PHE A 56 -1.245 -0.151 -2.010 1.00 0.21 C ATOM 814 CD1 PHE A 56 -2.355 -0.030 -1.190 1.00 0.26 C ATOM 815 CD2 PHE A 56 -0.141 -0.848 -1.538 1.00 0.27 C ATOM 816 CE1 PHE A 56 -2.368 -0.588 0.073 1.00 0.34 C ATOM 817 CE2 PHE A 56 -0.148 -1.409 -0.272 1.00 0.33 C ATOM 818 CZ PHE A 56 -1.262 -1.278 0.533 1.00 0.36 C ATOM 0 H PHE A 56 -3.101 -1.761 -3.511 1.00 0.16 H new ATOM 0 HA PHE A 56 -1.901 0.124 -5.413 1.00 0.16 H new ATOM 0 HB2 PHE A 56 -0.220 0.751 -3.638 1.00 0.19 H new ATOM 0 HB3 PHE A 56 -1.832 1.381 -3.361 1.00 0.19 H new ATOM 0 HD1 PHE A 56 -3.222 0.508 -1.543 1.00 0.26 H new ATOM 0 HD2 PHE A 56 0.732 -0.954 -2.165 1.00 0.27 H new ATOM 0 HE1 PHE A 56 -3.241 -0.486 0.701 1.00 0.34 H new ATOM 0 HE2 PHE A 56 0.717 -1.948 0.085 1.00 0.33 H new ATOM 0 HZ PHE A 56 -1.269 -1.714 1.521 1.00 0.36 H new ATOM 828 N SER A 57 0.325 -1.215 -5.352 1.00 0.23 N ATOM 829 CA SER A 57 1.401 -2.155 -5.602 1.00 0.27 C ATOM 830 C SER A 57 2.724 -1.549 -5.143 1.00 0.30 C ATOM 831 O SER A 57 2.972 -0.356 -5.342 1.00 0.51 O ATOM 832 CB SER A 57 1.455 -2.506 -7.090 1.00 0.37 C ATOM 833 OG SER A 57 1.521 -1.335 -7.884 1.00 1.08 O ATOM 0 H SER A 57 0.522 -0.264 -5.664 1.00 0.23 H new ATOM 0 HA SER A 57 1.221 -3.072 -5.041 1.00 0.27 H new ATOM 0 HB2 SER A 57 2.324 -3.134 -7.288 1.00 0.37 H new ATOM 0 HB3 SER A 57 0.573 -3.086 -7.363 1.00 0.37 H new ATOM 0 HG SER A 57 1.556 -1.584 -8.831 1.00 1.08 H new ATOM 839 N PHE A 58 3.564 -2.359 -4.520 1.00 0.21 N ATOM 840 CA PHE A 58 4.834 -1.879 -4.001 1.00 0.23 C ATOM 841 C PHE A 58 5.959 -2.836 -4.372 1.00 0.20 C ATOM 842 O PHE A 58 5.717 -3.993 -4.716 1.00 0.23 O ATOM 843 CB PHE A 58 4.763 -1.709 -2.477 1.00 0.29 C ATOM 844 CG PHE A 58 4.529 -2.993 -1.727 1.00 0.30 C ATOM 845 CD1 PHE A 58 3.243 -3.465 -1.518 1.00 0.33 C ATOM 846 CD2 PHE A 58 5.596 -3.725 -1.231 1.00 0.36 C ATOM 847 CE1 PHE A 58 3.026 -4.643 -0.832 1.00 0.37 C ATOM 848 CE2 PHE A 58 5.385 -4.903 -0.543 1.00 0.41 C ATOM 849 CZ PHE A 58 4.099 -5.364 -0.345 1.00 0.40 C ATOM 0 H PHE A 58 3.390 -3.351 -4.361 1.00 0.21 H new ATOM 0 HA PHE A 58 5.042 -0.908 -4.450 1.00 0.23 H new ATOM 0 HB2 PHE A 58 5.693 -1.261 -2.128 1.00 0.29 H new ATOM 0 HB3 PHE A 58 3.963 -1.009 -2.237 1.00 0.29 H new ATOM 0 HD1 PHE A 58 2.401 -2.905 -1.896 1.00 0.33 H new ATOM 0 HD2 PHE A 58 6.604 -3.370 -1.384 1.00 0.36 H new ATOM 0 HE1 PHE A 58 2.019 -5.000 -0.676 1.00 0.37 H new ATOM 0 HE2 PHE A 58 6.225 -5.463 -0.160 1.00 0.41 H new ATOM 0 HZ PHE A 58 3.932 -6.287 0.190 1.00 0.40 H new ATOM 859 N ARG A 59 7.185 -2.351 -4.302 1.00 0.23 N ATOM 860 CA ARG A 59 8.344 -3.177 -4.584 1.00 0.29 C ATOM 861 C ARG A 59 9.210 -3.315 -3.345 1.00 0.38 C ATOM 862 O ARG A 59 9.393 -2.355 -2.593 1.00 0.53 O ATOM 863 CB ARG A 59 9.153 -2.601 -5.750 1.00 0.42 C ATOM 864 CG ARG A 59 8.428 -2.709 -7.079 1.00 0.59 C ATOM 865 CD ARG A 59 9.281 -2.220 -8.236 1.00 0.63 C ATOM 866 NE ARG A 59 8.604 -2.406 -9.519 1.00 1.59 N ATOM 867 CZ ARG A 59 9.235 -2.541 -10.685 1.00 2.06 C ATOM 868 NH1 ARG A 59 10.553 -2.418 -10.755 1.00 1.94 N ATOM 869 NH2 ARG A 59 8.536 -2.787 -11.790 1.00 3.07 N ATOM 0 H ARG A 59 7.404 -1.387 -4.052 1.00 0.23 H new ATOM 0 HA ARG A 59 7.996 -4.169 -4.873 1.00 0.29 H new ATOM 0 HB2 ARG A 59 9.378 -1.554 -5.548 1.00 0.42 H new ATOM 0 HB3 ARG A 59 10.107 -3.124 -5.818 1.00 0.42 H new ATOM 0 HG2 ARG A 59 8.143 -3.747 -7.253 1.00 0.59 H new ATOM 0 HG3 ARG A 59 7.507 -2.128 -7.037 1.00 0.59 H new ATOM 0 HD2 ARG A 59 9.514 -1.164 -8.096 1.00 0.63 H new ATOM 0 HD3 ARG A 59 10.229 -2.758 -8.243 1.00 0.63 H new ATOM 0 HE ARG A 59 7.584 -2.434 -9.521 1.00 1.59 H new ATOM 0 HH11 ARG A 59 11.092 -2.219 -9.912 1.00 1.94 H new ATOM 0 HH12 ARG A 59 11.028 -2.523 -11.651 1.00 1.94 H new ATOM 0 HH21 ARG A 59 7.521 -2.872 -11.743 1.00 3.07 H new ATOM 0 HH22 ARG A 59 9.016 -2.891 -12.684 1.00 3.07 H new ATOM 883 N LEU A 60 9.715 -4.515 -3.130 1.00 0.37 N ATOM 884 CA LEU A 60 10.574 -4.792 -1.992 1.00 0.46 C ATOM 885 C LEU A 60 12.032 -4.798 -2.408 1.00 0.59 C ATOM 886 O LEU A 60 12.381 -5.267 -3.495 1.00 0.71 O ATOM 887 CB LEU A 60 10.224 -6.143 -1.365 1.00 0.53 C ATOM 888 CG LEU A 60 9.019 -6.145 -0.423 1.00 0.57 C ATOM 889 CD1 LEU A 60 8.746 -7.554 0.080 1.00 1.04 C ATOM 890 CD2 LEU A 60 9.261 -5.203 0.746 1.00 0.83 C ATOM 0 H LEU A 60 9.544 -5.320 -3.733 1.00 0.37 H new ATOM 0 HA LEU A 60 10.414 -4.003 -1.257 1.00 0.46 H new ATOM 0 HB2 LEU A 60 10.036 -6.857 -2.167 1.00 0.53 H new ATOM 0 HB3 LEU A 60 11.093 -6.503 -0.814 1.00 0.53 H new ATOM 0 HG LEU A 60 8.145 -5.797 -0.974 1.00 0.57 H new ATOM 0 HD11 LEU A 60 7.886 -7.541 0.749 1.00 1.04 H new ATOM 0 HD12 LEU A 60 8.537 -8.208 -0.766 1.00 1.04 H new ATOM 0 HD13 LEU A 60 9.619 -7.924 0.618 1.00 1.04 H new ATOM 0 HD21 LEU A 60 8.395 -5.215 1.408 1.00 0.83 H new ATOM 0 HD22 LEU A 60 10.144 -5.527 1.297 1.00 0.83 H new ATOM 0 HD23 LEU A 60 9.418 -4.191 0.372 1.00 0.83 H new ATOM 902 N ASP A 61 12.879 -4.265 -1.549 1.00 0.69 N ATOM 903 CA ASP A 61 14.312 -4.355 -1.754 1.00 0.92 C ATOM 904 C ASP A 61 14.895 -5.436 -0.851 1.00 1.02 C ATOM 905 O ASP A 61 14.241 -5.880 0.093 1.00 0.96 O ATOM 906 CB ASP A 61 15.007 -3.007 -1.507 1.00 1.08 C ATOM 907 CG ASP A 61 14.719 -2.402 -0.149 1.00 1.45 C ATOM 908 OD1 ASP A 61 14.860 -3.125 0.860 1.00 1.77 O ATOM 909 OD2 ASP A 61 14.320 -1.220 -0.085 1.00 1.87 O ATOM 0 H ASP A 61 12.601 -3.766 -0.704 1.00 0.69 H new ATOM 0 HA ASP A 61 14.490 -4.623 -2.795 1.00 0.92 H new ATOM 0 HB2 ASP A 61 16.084 -3.141 -1.612 1.00 1.08 H new ATOM 0 HB3 ASP A 61 14.696 -2.303 -2.279 1.00 1.08 H new ATOM 914 N PRO A 62 16.132 -5.877 -1.130 1.00 1.24 N ATOM 915 CA PRO A 62 16.802 -6.928 -0.350 1.00 1.37 C ATOM 916 C PRO A 62 17.089 -6.517 1.091 1.00 1.40 C ATOM 917 O PRO A 62 17.616 -7.310 1.877 1.00 1.57 O ATOM 918 CB PRO A 62 18.118 -7.156 -1.100 1.00 1.62 C ATOM 919 CG PRO A 62 17.914 -6.554 -2.444 1.00 1.62 C ATOM 920 CD PRO A 62 16.967 -5.414 -2.244 1.00 1.42 C ATOM 0 HA PRO A 62 16.174 -7.815 -0.270 1.00 1.37 H new ATOM 0 HB2 PRO A 62 18.953 -6.685 -0.581 1.00 1.62 H new ATOM 0 HB3 PRO A 62 18.348 -8.219 -1.176 1.00 1.62 H new ATOM 0 HG2 PRO A 62 18.858 -6.208 -2.864 1.00 1.62 H new ATOM 0 HG3 PRO A 62 17.504 -7.285 -3.141 1.00 1.62 H new ATOM 0 HD2 PRO A 62 17.492 -4.490 -2.000 1.00 1.42 H new ATOM 0 HD3 PRO A 62 16.376 -5.218 -3.138 1.00 1.42 H new ATOM 928 N HIS A 63 16.728 -5.293 1.445 1.00 1.30 N ATOM 929 CA HIS A 63 16.970 -4.787 2.782 1.00 1.38 C ATOM 930 C HIS A 63 15.719 -4.983 3.609 1.00 1.28 C ATOM 931 O HIS A 63 15.751 -4.964 4.839 1.00 1.42 O ATOM 932 CB HIS A 63 17.353 -3.309 2.742 1.00 1.49 C ATOM 933 CG HIS A 63 18.654 -3.041 2.049 1.00 1.71 C ATOM 934 ND1 HIS A 63 19.802 -2.670 2.712 1.00 2.10 N ATOM 935 CD2 HIS A 63 18.980 -3.094 0.737 1.00 1.99 C ATOM 936 CE1 HIS A 63 20.775 -2.506 1.837 1.00 2.43 C ATOM 937 NE2 HIS A 63 20.304 -2.755 0.630 1.00 2.36 N ATOM 0 H HIS A 63 16.265 -4.632 0.821 1.00 1.30 H new ATOM 0 HA HIS A 63 17.800 -5.333 3.230 1.00 1.38 H new ATOM 0 HB2 HIS A 63 16.563 -2.752 2.239 1.00 1.49 H new ATOM 0 HB3 HIS A 63 17.411 -2.930 3.762 1.00 1.49 H new ATOM 0 HD2 HIS A 63 18.319 -3.355 -0.076 1.00 1.99 H new ATOM 0 HE1 HIS A 63 21.789 -2.216 2.070 1.00 2.43 H new ATOM 0 HE2 HIS A 63 20.837 -2.704 -0.238 1.00 2.36 H new ATOM 946 N GLY A 64 14.618 -5.165 2.901 1.00 1.08 N ATOM 947 CA GLY A 64 13.354 -5.443 3.542 1.00 1.04 C ATOM 948 C GLY A 64 12.486 -4.212 3.633 1.00 0.92 C ATOM 949 O GLY A 64 11.611 -4.121 4.491 1.00 1.01 O ATOM 0 H GLY A 64 14.578 -5.124 1.883 1.00 1.08 H new ATOM 0 HA2 GLY A 64 12.827 -6.218 2.985 1.00 1.04 H new ATOM 0 HA3 GLY A 64 13.533 -5.836 4.543 1.00 1.04 H new ATOM 953 N MET A 65 12.730 -3.256 2.751 1.00 0.80 N ATOM 954 CA MET A 65 11.964 -2.025 2.757 1.00 0.75 C ATOM 955 C MET A 65 10.898 -2.073 1.686 1.00 0.57 C ATOM 956 O MET A 65 11.059 -2.728 0.656 1.00 0.53 O ATOM 957 CB MET A 65 12.851 -0.809 2.537 1.00 0.88 C ATOM 958 CG MET A 65 14.118 -0.839 3.355 1.00 1.22 C ATOM 959 SD MET A 65 15.023 0.722 3.310 1.00 1.93 S ATOM 960 CE MET A 65 13.810 1.838 4.016 1.00 2.74 C ATOM 0 H MET A 65 13.447 -3.310 2.028 1.00 0.80 H new ATOM 0 HA MET A 65 11.499 -1.932 3.738 1.00 0.75 H new ATOM 0 HB2 MET A 65 13.110 -0.744 1.480 1.00 0.88 H new ATOM 0 HB3 MET A 65 12.289 0.092 2.784 1.00 0.88 H new ATOM 0 HG2 MET A 65 13.871 -1.080 4.389 1.00 1.22 H new ATOM 0 HG3 MET A 65 14.763 -1.637 2.987 1.00 1.22 H new ATOM 0 HE1 MET A 65 14.320 2.675 4.493 1.00 2.74 H new ATOM 0 HE2 MET A 65 13.157 2.212 3.227 1.00 2.74 H new ATOM 0 HE3 MET A 65 13.214 1.306 4.758 1.00 2.74 H new ATOM 970 N ALA A 66 9.829 -1.347 1.921 1.00 0.52 N ATOM 971 CA ALA A 66 8.662 -1.411 1.068 1.00 0.43 C ATOM 972 C ALA A 66 8.446 -0.082 0.376 1.00 0.36 C ATOM 973 O ALA A 66 8.084 0.912 1.007 1.00 0.42 O ATOM 974 CB ALA A 66 7.434 -1.806 1.875 1.00 0.54 C ATOM 0 H ALA A 66 9.743 -0.699 2.704 1.00 0.52 H new ATOM 0 HA ALA A 66 8.827 -2.173 0.306 1.00 0.43 H new ATOM 0 HB1 ALA A 66 6.565 -1.849 1.218 1.00 0.54 H new ATOM 0 HB2 ALA A 66 7.596 -2.784 2.328 1.00 0.54 H new ATOM 0 HB3 ALA A 66 7.260 -1.068 2.658 1.00 0.54 H new ATOM 980 N THR A 67 8.683 -0.059 -0.917 1.00 0.30 N ATOM 981 CA THR A 67 8.570 1.168 -1.669 1.00 0.30 C ATOM 982 C THR A 67 7.338 1.136 -2.562 1.00 0.25 C ATOM 983 O THR A 67 7.201 0.262 -3.421 1.00 0.26 O ATOM 984 CB THR A 67 9.828 1.407 -2.513 1.00 0.36 C ATOM 985 OG1 THR A 67 10.965 0.819 -1.860 1.00 0.71 O ATOM 986 CG2 THR A 67 10.062 2.895 -2.679 1.00 0.66 C ATOM 0 H THR A 67 8.954 -0.874 -1.467 1.00 0.30 H new ATOM 0 HA THR A 67 8.468 1.990 -0.961 1.00 0.30 H new ATOM 0 HB THR A 67 9.691 0.951 -3.493 1.00 0.36 H new ATOM 0 HG1 THR A 67 11.768 0.971 -2.401 1.00 0.71 H new ATOM 0 HG21 THR A 67 10.957 3.058 -3.279 1.00 0.66 H new ATOM 0 HG22 THR A 67 9.204 3.345 -3.178 1.00 0.66 H new ATOM 0 HG23 THR A 67 10.194 3.354 -1.699 1.00 0.66 H new ATOM 994 N LEU A 68 6.444 2.087 -2.344 1.00 0.24 N ATOM 995 CA LEU A 68 5.190 2.149 -3.073 1.00 0.23 C ATOM 996 C LEU A 68 5.436 2.572 -4.514 1.00 0.22 C ATOM 997 O LEU A 68 6.201 3.499 -4.776 1.00 0.34 O ATOM 998 CB LEU A 68 4.241 3.134 -2.383 1.00 0.27 C ATOM 999 CG LEU A 68 2.835 3.209 -2.970 1.00 0.56 C ATOM 1000 CD1 LEU A 68 2.164 1.849 -2.909 1.00 1.18 C ATOM 1001 CD2 LEU A 68 2.009 4.248 -2.230 1.00 1.09 C ATOM 0 H LEU A 68 6.567 2.834 -1.660 1.00 0.24 H new ATOM 0 HA LEU A 68 4.733 1.160 -3.079 1.00 0.23 H new ATOM 0 HB2 LEU A 68 4.163 2.860 -1.331 1.00 0.27 H new ATOM 0 HB3 LEU A 68 4.686 4.128 -2.422 1.00 0.27 H new ATOM 0 HG LEU A 68 2.908 3.509 -4.015 1.00 0.56 H new ATOM 0 HD11 LEU A 68 1.162 1.919 -3.331 1.00 1.18 H new ATOM 0 HD12 LEU A 68 2.749 1.129 -3.480 1.00 1.18 H new ATOM 0 HD13 LEU A 68 2.099 1.522 -1.871 1.00 1.18 H new ATOM 0 HD21 LEU A 68 1.008 4.291 -2.660 1.00 1.09 H new ATOM 0 HD22 LEU A 68 1.940 3.976 -1.177 1.00 1.09 H new ATOM 0 HD23 LEU A 68 2.485 5.224 -2.322 1.00 1.09 H new ATOM 1013 N VAL A 69 4.803 1.879 -5.445 1.00 0.21 N ATOM 1014 CA VAL A 69 4.958 2.198 -6.853 1.00 0.23 C ATOM 1015 C VAL A 69 3.735 2.940 -7.368 1.00 0.23 C ATOM 1016 O VAL A 69 3.843 4.054 -7.881 1.00 0.30 O ATOM 1017 CB VAL A 69 5.178 0.932 -7.700 1.00 0.29 C ATOM 1018 CG1 VAL A 69 5.528 1.303 -9.134 1.00 1.01 C ATOM 1019 CG2 VAL A 69 6.262 0.063 -7.087 1.00 0.98 C ATOM 0 H VAL A 69 4.179 1.095 -5.252 1.00 0.21 H new ATOM 0 HA VAL A 69 5.839 2.833 -6.945 1.00 0.23 H new ATOM 0 HB VAL A 69 4.250 0.360 -7.714 1.00 0.29 H new ATOM 0 HG11 VAL A 69 5.680 0.395 -9.718 1.00 1.01 H new ATOM 0 HG12 VAL A 69 4.714 1.882 -9.569 1.00 1.01 H new ATOM 0 HG13 VAL A 69 6.441 1.898 -9.143 1.00 1.01 H new ATOM 0 HG21 VAL A 69 6.404 -0.828 -7.699 1.00 0.98 H new ATOM 0 HG22 VAL A 69 7.195 0.624 -7.041 1.00 0.98 H new ATOM 0 HG23 VAL A 69 5.966 -0.232 -6.080 1.00 0.98 H new ATOM 1029 N THR A 70 2.570 2.321 -7.219 1.00 0.19 N ATOM 1030 CA THR A 70 1.327 2.909 -7.686 1.00 0.21 C ATOM 1031 C THR A 70 0.193 2.598 -6.721 1.00 0.22 C ATOM 1032 O THR A 70 0.139 1.510 -6.144 1.00 0.32 O ATOM 1033 CB THR A 70 0.948 2.407 -9.100 1.00 0.28 C ATOM 1034 OG1 THR A 70 1.073 0.980 -9.181 1.00 0.42 O ATOM 1035 CG2 THR A 70 1.821 3.050 -10.166 1.00 0.37 C ATOM 0 H THR A 70 2.463 1.408 -6.776 1.00 0.19 H new ATOM 0 HA THR A 70 1.482 3.987 -7.735 1.00 0.21 H new ATOM 0 HB THR A 70 -0.089 2.690 -9.279 1.00 0.28 H new ATOM 0 HG1 THR A 70 1.215 0.613 -8.284 1.00 0.42 H new ATOM 0 HG21 THR A 70 1.530 2.677 -11.148 1.00 0.37 H new ATOM 0 HG22 THR A 70 1.694 4.132 -10.137 1.00 0.37 H new ATOM 0 HG23 THR A 70 2.866 2.802 -9.979 1.00 0.37 H new ATOM 1043 N VAL A 71 -0.692 3.562 -6.533 1.00 0.20 N ATOM 1044 CA VAL A 71 -1.864 3.376 -5.697 1.00 0.20 C ATOM 1045 C VAL A 71 -3.096 3.887 -6.433 1.00 0.20 C ATOM 1046 O VAL A 71 -3.027 4.875 -7.167 1.00 0.25 O ATOM 1047 CB VAL A 71 -1.722 4.108 -4.335 1.00 0.24 C ATOM 1048 CG1 VAL A 71 -1.796 5.612 -4.505 1.00 0.32 C ATOM 1049 CG2 VAL A 71 -2.777 3.646 -3.343 1.00 0.24 C ATOM 0 H VAL A 71 -0.619 4.489 -6.952 1.00 0.20 H new ATOM 0 HA VAL A 71 -1.967 2.311 -5.490 1.00 0.20 H new ATOM 0 HB VAL A 71 -0.739 3.852 -3.938 1.00 0.24 H new ATOM 0 HG11 VAL A 71 -1.693 6.094 -3.533 1.00 0.32 H new ATOM 0 HG12 VAL A 71 -0.991 5.944 -5.161 1.00 0.32 H new ATOM 0 HG13 VAL A 71 -2.757 5.882 -4.944 1.00 0.32 H new ATOM 0 HG21 VAL A 71 -2.648 4.179 -2.401 1.00 0.24 H new ATOM 0 HG22 VAL A 71 -3.769 3.853 -3.744 1.00 0.24 H new ATOM 0 HG23 VAL A 71 -2.671 2.575 -3.172 1.00 0.24 H new ATOM 1059 N ALA A 72 -4.204 3.195 -6.277 1.00 0.23 N ATOM 1060 CA ALA A 72 -5.455 3.627 -6.865 1.00 0.27 C ATOM 1061 C ALA A 72 -6.553 3.594 -5.821 1.00 0.26 C ATOM 1062 O ALA A 72 -6.604 2.676 -4.997 1.00 0.24 O ATOM 1063 CB ALA A 72 -5.817 2.753 -8.056 1.00 0.29 C ATOM 0 H ALA A 72 -4.264 2.327 -5.745 1.00 0.23 H new ATOM 0 HA ALA A 72 -5.342 4.651 -7.222 1.00 0.27 H new ATOM 0 HB1 ALA A 72 -6.760 3.093 -8.484 1.00 0.29 H new ATOM 0 HB2 ALA A 72 -5.032 2.820 -8.809 1.00 0.29 H new ATOM 0 HB3 ALA A 72 -5.919 1.718 -7.730 1.00 0.29 H new ATOM 1069 N PRO A 73 -7.434 4.604 -5.817 1.00 0.37 N ATOM 1070 CA PRO A 73 -8.521 4.678 -4.848 1.00 0.42 C ATOM 1071 C PRO A 73 -9.505 3.534 -5.004 1.00 0.40 C ATOM 1072 O PRO A 73 -10.303 3.498 -5.942 1.00 0.52 O ATOM 1073 CB PRO A 73 -9.208 6.005 -5.148 1.00 0.59 C ATOM 1074 CG PRO A 73 -8.807 6.351 -6.544 1.00 0.81 C ATOM 1075 CD PRO A 73 -7.446 5.745 -6.751 1.00 0.50 C ATOM 0 HA PRO A 73 -8.146 4.608 -3.827 1.00 0.42 H new ATOM 0 HB2 PRO A 73 -10.291 5.916 -5.061 1.00 0.59 H new ATOM 0 HB3 PRO A 73 -8.894 6.778 -4.446 1.00 0.59 H new ATOM 0 HG2 PRO A 73 -9.523 5.955 -7.264 1.00 0.81 H new ATOM 0 HG3 PRO A 73 -8.778 7.432 -6.684 1.00 0.81 H new ATOM 0 HD2 PRO A 73 -7.303 5.422 -7.782 1.00 0.50 H new ATOM 0 HD3 PRO A 73 -6.651 6.456 -6.527 1.00 0.50 H new ATOM 1083 N GLN A 74 -9.419 2.587 -4.097 1.00 0.39 N ATOM 1084 CA GLN A 74 -10.346 1.486 -4.059 1.00 0.42 C ATOM 1085 C GLN A 74 -11.476 1.831 -3.100 1.00 0.38 C ATOM 1086 O GLN A 74 -11.404 2.821 -2.369 1.00 0.49 O ATOM 1087 CB GLN A 74 -9.605 0.196 -3.662 1.00 0.59 C ATOM 1088 CG GLN A 74 -10.453 -0.850 -2.962 1.00 0.72 C ATOM 1089 CD GLN A 74 -9.651 -2.005 -2.407 1.00 0.55 C ATOM 1090 OE1 GLN A 74 -10.127 -3.138 -2.355 1.00 1.08 O ATOM 1091 NE2 GLN A 74 -8.443 -1.725 -1.959 1.00 0.47 N ATOM 0 H GLN A 74 -8.706 2.561 -3.368 1.00 0.39 H new ATOM 0 HA GLN A 74 -10.783 1.311 -5.042 1.00 0.42 H new ATOM 0 HB2 GLN A 74 -9.177 -0.249 -4.560 1.00 0.59 H new ATOM 0 HB3 GLN A 74 -8.773 0.461 -3.010 1.00 0.59 H new ATOM 0 HG2 GLN A 74 -11.002 -0.376 -2.149 1.00 0.72 H new ATOM 0 HG3 GLN A 74 -11.192 -1.236 -3.664 1.00 0.72 H new ATOM 0 HE21 GLN A 74 -8.084 -0.772 -2.020 1.00 0.47 H new ATOM 0 HE22 GLN A 74 -7.867 -2.461 -1.551 1.00 0.47 H new ATOM 1100 N VAL A 75 -12.508 1.024 -3.100 1.00 0.41 N ATOM 1101 CA VAL A 75 -13.665 1.285 -2.269 1.00 0.54 C ATOM 1102 C VAL A 75 -14.081 0.026 -1.514 1.00 0.60 C ATOM 1103 O VAL A 75 -14.944 -0.735 -1.948 1.00 0.78 O ATOM 1104 CB VAL A 75 -14.833 1.903 -3.080 1.00 0.73 C ATOM 1105 CG1 VAL A 75 -15.080 1.129 -4.364 1.00 1.32 C ATOM 1106 CG2 VAL A 75 -16.102 1.997 -2.242 1.00 1.64 C ATOM 0 H VAL A 75 -12.574 0.178 -3.666 1.00 0.41 H new ATOM 0 HA VAL A 75 -13.385 2.033 -1.527 1.00 0.54 H new ATOM 0 HB VAL A 75 -14.543 2.917 -3.353 1.00 0.73 H new ATOM 0 HG11 VAL A 75 -15.905 1.586 -4.911 1.00 1.32 H new ATOM 0 HG12 VAL A 75 -14.181 1.149 -4.980 1.00 1.32 H new ATOM 0 HG13 VAL A 75 -15.332 0.096 -4.123 1.00 1.32 H new ATOM 0 HG21 VAL A 75 -16.901 2.434 -2.840 1.00 1.64 H new ATOM 0 HG22 VAL A 75 -16.397 1.000 -1.916 1.00 1.64 H new ATOM 0 HG23 VAL A 75 -15.917 2.624 -1.370 1.00 1.64 H new