USER MOD reduce.3.24.130724 H: found=0, std=0, add=1169, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1170 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 Single : A 1 MET CE :methyl -157:sc= -0.307 (180deg=-1.3) USER MOD Single : A 1 MET N :NH3+ -176:sc= 1.51 (180deg=1.4) USER MOD Single : A 2 LYS NZ :NH3+ 138:sc= 0.647 (180deg=0.111) USER MOD Single : A 4 SER OG : rot -30:sc= 0.221 USER MOD Single : A 15 LYS NZ :NH3+ -173:sc= 0.378 (180deg=0.274) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.0194 X(o=-0.019,f=-0.16) USER MOD Single : A 26 LYS NZ :NH3+ 172:sc= 1.19 (180deg=1.08) USER MOD Single : A 30 MET CE :methyl 157:sc= -0.608 (180deg=-1.39) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 52 CYS SG : rot -33:sc= -3.41! USER MOD Single : A 53 LYS NZ :NH3+ -169:sc= 1.23 (180deg=1.17) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.581 K(o=-0.58,f=-3.8!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 7:sc= 1.73 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 143:sc= 1.27 (180deg=0.102) USER MOD Single : A 94 ASN : amide:sc= -3.88! K(o=-3.9!,f=-0.81) USER MOD Single : A 103 MET CE :methyl -111:sc= -0.918 (180deg=-4.44!) USER MOD Single : A 104 LYS NZ :NH3+ -125:sc= 1.11 (180deg=-0.763) USER MOD Single : A 105 ASN : amide:sc= 0.186 X(o=0.19,f=-0.2) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 138:sc= 1.78 (180deg=0.395) USER MOD Single : A 113 LYS NZ :NH3+ -176:sc= 1.26 (180deg=1.19) USER MOD Single : A 115 GLN : amide:sc= -0.744 K(o=-0.74,f=-7.5!) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot 180:sc= -0.0473 USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 THR OG1 : rot -21:sc= 0.484 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.881 -8.533 -0.340 1.00 65.44 N ATOM 2 CA MET A 1 1.832 -7.193 -0.988 1.00 40.23 C ATOM 3 C MET A 1 3.242 -6.634 -1.243 1.00 11.12 C ATOM 4 O MET A 1 4.089 -6.630 -0.357 1.00 22.03 O ATOM 5 CB MET A 1 1.038 -6.204 -0.118 1.00 24.20 C ATOM 6 CG MET A 1 1.606 -6.009 1.287 1.00 54.33 C ATOM 7 SD MET A 1 0.807 -4.662 2.183 1.00 24.24 S ATOM 8 CE MET A 1 1.320 -3.244 1.210 1.00 62.13 C ATOM 0 H1 MET A 1 0.916 -8.908 -0.245 1.00 65.44 H new ATOM 0 H2 MET A 1 2.448 -9.180 -0.924 1.00 65.44 H new ATOM 0 H3 MET A 1 2.313 -8.447 0.602 1.00 65.44 H new ATOM 0 HA MET A 1 1.333 -7.316 -1.949 1.00 40.23 H new ATOM 0 HB2 MET A 1 1.007 -5.238 -0.622 1.00 24.20 H new ATOM 0 HB3 MET A 1 0.009 -6.554 -0.036 1.00 24.20 H new ATOM 0 HG2 MET A 1 1.491 -6.934 1.852 1.00 54.33 H new ATOM 0 HG3 MET A 1 2.675 -5.809 1.217 1.00 54.33 H new ATOM 0 HE1 MET A 1 1.270 -2.344 1.823 1.00 62.13 H new ATOM 0 HE2 MET A 1 2.343 -3.391 0.864 1.00 62.13 H new ATOM 0 HE3 MET A 1 0.659 -3.134 0.350 1.00 62.13 H new ATOM 20 N LYS A 2 3.485 -6.153 -2.463 1.00 32.22 N ATOM 21 CA LYS A 2 4.780 -5.553 -2.812 1.00 15.04 C ATOM 22 C LYS A 2 4.686 -4.020 -2.880 1.00 62.43 C ATOM 23 O LYS A 2 3.649 -3.462 -3.248 1.00 60.25 O ATOM 24 CB LYS A 2 5.309 -6.133 -4.135 1.00 72.13 C ATOM 25 CG LYS A 2 5.836 -7.566 -4.008 1.00 64.25 C ATOM 26 CD LYS A 2 4.724 -8.606 -3.842 1.00 13.24 C ATOM 27 CE LYS A 2 4.409 -9.319 -5.152 1.00 45.13 C ATOM 28 NZ LYS A 2 5.537 -10.184 -5.592 1.00 43.21 N ATOM 0 H LYS A 2 2.807 -6.165 -3.225 1.00 32.22 H new ATOM 0 HA LYS A 2 5.489 -5.804 -2.023 1.00 15.04 H new ATOM 0 HB2 LYS A 2 4.510 -6.113 -4.876 1.00 72.13 H new ATOM 0 HB3 LYS A 2 6.108 -5.493 -4.509 1.00 72.13 H new ATOM 0 HG2 LYS A 2 6.423 -7.810 -4.893 1.00 64.25 H new ATOM 0 HG3 LYS A 2 6.509 -7.624 -3.153 1.00 64.25 H new ATOM 0 HD2 LYS A 2 5.022 -9.339 -3.093 1.00 13.24 H new ATOM 0 HD3 LYS A 2 3.824 -8.118 -3.469 1.00 13.24 H new ATOM 0 HE2 LYS A 2 3.511 -9.925 -5.030 1.00 45.13 H new ATOM 0 HE3 LYS A 2 4.193 -8.582 -5.925 1.00 45.13 H new ATOM 0 HZ1 LYS A 2 5.164 -11.087 -5.948 1.00 43.21 H new ATOM 0 HZ2 LYS A 2 6.066 -9.706 -6.349 1.00 43.21 H new ATOM 0 HZ3 LYS A 2 6.171 -10.364 -4.787 1.00 43.21 H new ATOM 42 N LEU A 3 5.787 -3.348 -2.540 1.00 35.12 N ATOM 43 CA LEU A 3 5.805 -1.879 -2.386 1.00 2.13 C ATOM 44 C LEU A 3 5.551 -1.109 -3.701 1.00 4.34 C ATOM 45 O LEU A 3 5.471 0.117 -3.689 1.00 30.43 O ATOM 46 CB LEU A 3 7.136 -1.411 -1.762 1.00 24.23 C ATOM 47 CG LEU A 3 8.386 -1.493 -2.664 1.00 43.12 C ATOM 48 CD1 LEU A 3 9.568 -0.786 -2.006 1.00 73.21 C ATOM 49 CD2 LEU A 3 8.751 -2.942 -2.983 1.00 33.03 C ATOM 0 H LEU A 3 6.687 -3.795 -2.363 1.00 35.12 H new ATOM 0 HA LEU A 3 4.975 -1.646 -1.719 1.00 2.13 H new ATOM 0 HB2 LEU A 3 7.016 -0.377 -1.438 1.00 24.23 H new ATOM 0 HB3 LEU A 3 7.321 -2.006 -0.867 1.00 24.23 H new ATOM 0 HG LEU A 3 8.149 -0.991 -3.602 1.00 43.12 H new ATOM 0 HD11 LEU A 3 10.440 -0.854 -2.656 1.00 73.21 H new ATOM 0 HD12 LEU A 3 9.319 0.262 -1.841 1.00 73.21 H new ATOM 0 HD13 LEU A 3 9.790 -1.261 -1.050 1.00 73.21 H new ATOM 0 HD21 LEU A 3 9.635 -2.963 -3.620 1.00 33.03 H new ATOM 0 HD22 LEU A 3 8.958 -3.477 -2.056 1.00 33.03 H new ATOM 0 HD23 LEU A 3 7.920 -3.421 -3.501 1.00 33.03 H new ATOM 61 N SER A 4 5.402 -1.815 -4.824 1.00 54.33 N ATOM 62 CA SER A 4 5.156 -1.156 -6.129 1.00 41.32 C ATOM 63 C SER A 4 3.846 -0.343 -6.143 1.00 21.03 C ATOM 64 O SER A 4 3.597 0.432 -7.069 1.00 70.40 O ATOM 65 CB SER A 4 5.124 -2.188 -7.265 1.00 75.12 C ATOM 66 OG SER A 4 4.945 -1.562 -8.531 1.00 23.20 O ATOM 0 H SER A 4 5.445 -2.833 -4.867 1.00 54.33 H new ATOM 0 HA SER A 4 5.984 -0.464 -6.283 1.00 41.32 H new ATOM 0 HB2 SER A 4 6.053 -2.758 -7.267 1.00 75.12 H new ATOM 0 HB3 SER A 4 4.315 -2.898 -7.091 1.00 75.12 H new ATOM 0 HG SER A 4 4.421 -0.742 -8.419 1.00 23.20 H new ATOM 72 N ARG A 5 3.011 -0.538 -5.127 1.00 12.23 N ATOM 73 CA ARG A 5 1.738 0.190 -5.010 1.00 55.41 C ATOM 74 C ARG A 5 1.616 0.877 -3.636 1.00 71.25 C ATOM 75 O ARG A 5 0.550 1.377 -3.276 1.00 4.43 O ATOM 76 CB ARG A 5 0.570 -0.792 -5.197 1.00 0.01 C ATOM 77 CG ARG A 5 0.339 -1.697 -3.989 1.00 51.13 C ATOM 78 CD ARG A 5 -0.669 -2.799 -4.277 1.00 20.41 C ATOM 79 NE ARG A 5 -0.097 -3.832 -5.138 1.00 40.14 N ATOM 80 CZ ARG A 5 -0.236 -5.109 -4.939 1.00 20.24 C ATOM 81 NH1 ARG A 5 -0.992 -5.557 -3.985 1.00 40.02 N ATOM 82 NH2 ARG A 5 0.367 -5.945 -5.714 1.00 3.21 N ATOM 0 H ARG A 5 3.188 -1.195 -4.367 1.00 12.23 H new ATOM 0 HA ARG A 5 1.708 0.959 -5.782 1.00 55.41 H new ATOM 0 HB2 ARG A 5 -0.341 -0.228 -5.398 1.00 0.01 H new ATOM 0 HB3 ARG A 5 0.762 -1.411 -6.074 1.00 0.01 H new ATOM 0 HG2 ARG A 5 1.286 -2.144 -3.686 1.00 51.13 H new ATOM 0 HG3 ARG A 5 -0.012 -1.096 -3.150 1.00 51.13 H new ATOM 0 HD2 ARG A 5 -0.999 -3.246 -3.340 1.00 20.41 H new ATOM 0 HD3 ARG A 5 -1.551 -2.372 -4.755 1.00 20.41 H new ATOM 0 HE ARG A 5 0.446 -3.532 -5.947 1.00 40.14 H new ATOM 0 HH11 ARG A 5 -1.488 -4.904 -3.378 1.00 40.02 H new ATOM 0 HH12 ARG A 5 -1.091 -6.562 -3.842 1.00 40.02 H new ATOM 0 HH21 ARG A 5 0.949 -5.603 -6.478 1.00 3.21 H new ATOM 0 HH22 ARG A 5 0.262 -6.948 -5.563 1.00 3.21 H new ATOM 96 N LEU A 6 2.714 0.899 -2.879 1.00 71.14 N ATOM 97 CA LEU A 6 2.693 1.375 -1.492 1.00 42.34 C ATOM 98 C LEU A 6 2.394 2.885 -1.423 1.00 73.14 C ATOM 99 O LEU A 6 3.150 3.708 -1.941 1.00 41.40 O ATOM 100 CB LEU A 6 4.026 1.051 -0.801 1.00 61.01 C ATOM 101 CG LEU A 6 4.044 1.222 0.730 1.00 63.53 C ATOM 102 CD1 LEU A 6 3.033 0.290 1.393 1.00 51.02 C ATOM 103 CD2 LEU A 6 5.446 0.973 1.282 1.00 65.33 C ATOM 0 H LEU A 6 3.631 0.592 -3.202 1.00 71.14 H new ATOM 0 HA LEU A 6 1.891 0.857 -0.966 1.00 42.34 H new ATOM 0 HB2 LEU A 6 4.295 0.021 -1.036 1.00 61.01 H new ATOM 0 HB3 LEU A 6 4.800 1.688 -1.228 1.00 61.01 H new ATOM 0 HG LEU A 6 3.761 2.249 0.960 1.00 63.53 H new ATOM 0 HD11 LEU A 6 3.064 0.429 2.474 1.00 51.02 H new ATOM 0 HD12 LEU A 6 2.032 0.519 1.026 1.00 51.02 H new ATOM 0 HD13 LEU A 6 3.280 -0.744 1.153 1.00 51.02 H new ATOM 0 HD21 LEU A 6 5.438 1.099 2.365 1.00 65.33 H new ATOM 0 HD22 LEU A 6 5.759 -0.042 1.037 1.00 65.33 H new ATOM 0 HD23 LEU A 6 6.143 1.684 0.839 1.00 65.33 H new ATOM 115 N VAL A 7 1.281 3.225 -0.779 1.00 3.12 N ATOM 116 CA VAL A 7 0.811 4.614 -0.687 1.00 60.41 C ATOM 117 C VAL A 7 1.851 5.541 -0.024 1.00 52.24 C ATOM 118 O VAL A 7 2.347 5.249 1.067 1.00 41.13 O ATOM 119 CB VAL A 7 -0.518 4.698 0.110 1.00 55.31 C ATOM 120 CG1 VAL A 7 -1.053 6.130 0.145 1.00 60.31 C ATOM 121 CG2 VAL A 7 -1.558 3.744 -0.469 1.00 65.41 C ATOM 0 H VAL A 7 0.678 2.552 -0.306 1.00 3.12 H new ATOM 0 HA VAL A 7 0.651 4.952 -1.711 1.00 60.41 H new ATOM 0 HB VAL A 7 -0.311 4.395 1.136 1.00 55.31 H new ATOM 0 HG11 VAL A 7 -1.985 6.157 0.710 1.00 60.31 H new ATOM 0 HG12 VAL A 7 -0.320 6.781 0.622 1.00 60.31 H new ATOM 0 HG13 VAL A 7 -1.236 6.475 -0.873 1.00 60.31 H new ATOM 0 HG21 VAL A 7 -2.481 3.820 0.105 1.00 65.41 H new ATOM 0 HG22 VAL A 7 -1.755 4.007 -1.508 1.00 65.41 H new ATOM 0 HG23 VAL A 7 -1.182 2.722 -0.418 1.00 65.41 H new ATOM 131 N PRO A 8 2.194 6.673 -0.679 1.00 2.14 N ATOM 132 CA PRO A 8 3.119 7.673 -0.117 1.00 32.11 C ATOM 133 C PRO A 8 2.768 8.077 1.325 1.00 25.34 C ATOM 134 O PRO A 8 1.677 8.587 1.595 1.00 21.13 O ATOM 135 CB PRO A 8 2.964 8.868 -1.065 1.00 60.12 C ATOM 136 CG PRO A 8 2.570 8.262 -2.369 1.00 73.35 C ATOM 137 CD PRO A 8 1.727 7.057 -2.028 1.00 20.44 C ATOM 0 HA PRO A 8 4.136 7.287 -0.051 1.00 32.11 H new ATOM 0 HB2 PRO A 8 2.206 9.564 -0.706 1.00 60.12 H new ATOM 0 HB3 PRO A 8 3.895 9.428 -1.153 1.00 60.12 H new ATOM 0 HG2 PRO A 8 2.008 8.972 -2.976 1.00 73.35 H new ATOM 0 HG3 PRO A 8 3.448 7.973 -2.947 1.00 73.35 H new ATOM 0 HD2 PRO A 8 0.664 7.298 -2.030 1.00 20.44 H new ATOM 0 HD3 PRO A 8 1.872 6.250 -2.747 1.00 20.44 H new ATOM 145 N GLY A 9 3.698 7.844 2.246 1.00 55.43 N ATOM 146 CA GLY A 9 3.475 8.170 3.653 1.00 43.43 C ATOM 147 C GLY A 9 3.241 6.946 4.532 1.00 3.25 C ATOM 148 O GLY A 9 3.248 7.048 5.759 1.00 4.43 O ATOM 0 H GLY A 9 4.610 7.433 2.046 1.00 55.43 H new ATOM 0 HA2 GLY A 9 4.337 8.720 4.031 1.00 43.43 H new ATOM 0 HA3 GLY A 9 2.614 8.834 3.732 1.00 43.43 H new ATOM 152 N VAL A 10 3.015 5.789 3.912 1.00 62.20 N ATOM 153 CA VAL A 10 2.809 4.539 4.655 1.00 64.00 C ATOM 154 C VAL A 10 4.147 3.838 4.967 1.00 21.23 C ATOM 155 O VAL A 10 4.906 3.498 4.056 1.00 13.05 O ATOM 156 CB VAL A 10 1.891 3.568 3.865 1.00 44.25 C ATOM 157 CG1 VAL A 10 1.716 2.244 4.607 1.00 54.14 C ATOM 158 CG2 VAL A 10 0.535 4.215 3.589 1.00 33.42 C ATOM 0 H VAL A 10 2.969 5.687 2.898 1.00 62.20 H new ATOM 0 HA VAL A 10 2.327 4.804 5.596 1.00 64.00 H new ATOM 0 HB VAL A 10 2.373 3.354 2.911 1.00 44.25 H new ATOM 0 HG11 VAL A 10 1.068 1.586 4.028 1.00 54.14 H new ATOM 0 HG12 VAL A 10 2.689 1.770 4.740 1.00 54.14 H new ATOM 0 HG13 VAL A 10 1.266 2.430 5.582 1.00 54.14 H new ATOM 0 HG21 VAL A 10 -0.094 3.519 3.034 1.00 33.42 H new ATOM 0 HG22 VAL A 10 0.053 4.466 4.534 1.00 33.42 H new ATOM 0 HG23 VAL A 10 0.677 5.122 3.002 1.00 33.42 H new ATOM 168 N PRO A 11 4.461 3.620 6.263 1.00 42.33 N ATOM 169 CA PRO A 11 5.702 2.947 6.678 1.00 25.22 C ATOM 170 C PRO A 11 5.625 1.414 6.557 1.00 4.12 C ATOM 171 O PRO A 11 4.772 0.767 7.173 1.00 52.14 O ATOM 172 CB PRO A 11 5.839 3.369 8.146 1.00 22.14 C ATOM 173 CG PRO A 11 4.432 3.535 8.618 1.00 42.41 C ATOM 174 CD PRO A 11 3.640 4.026 7.426 1.00 32.45 C ATOM 0 HA PRO A 11 6.549 3.224 6.050 1.00 25.22 H new ATOM 0 HB2 PRO A 11 6.367 2.614 8.729 1.00 22.14 H new ATOM 0 HB3 PRO A 11 6.402 4.297 8.242 1.00 22.14 H new ATOM 0 HG2 PRO A 11 4.032 2.591 8.989 1.00 42.41 H new ATOM 0 HG3 PRO A 11 4.379 4.248 9.441 1.00 42.41 H new ATOM 0 HD2 PRO A 11 2.648 3.575 7.392 1.00 32.45 H new ATOM 0 HD3 PRO A 11 3.498 5.106 7.458 1.00 32.45 H new ATOM 182 N ALA A 12 6.525 0.833 5.767 1.00 52.04 N ATOM 183 CA ALA A 12 6.568 -0.620 5.580 1.00 62.30 C ATOM 184 C ALA A 12 7.930 -1.205 5.985 1.00 64.22 C ATOM 185 O ALA A 12 8.864 -0.473 6.301 1.00 63.33 O ATOM 186 CB ALA A 12 6.252 -0.972 4.131 1.00 24.11 C ATOM 0 H ALA A 12 7.236 1.345 5.244 1.00 52.04 H new ATOM 0 HA ALA A 12 5.813 -1.061 6.230 1.00 62.30 H new ATOM 0 HB1 ALA A 12 6.287 -2.054 4.004 1.00 24.11 H new ATOM 0 HB2 ALA A 12 5.256 -0.609 3.877 1.00 24.11 H new ATOM 0 HB3 ALA A 12 6.987 -0.506 3.475 1.00 24.11 H new ATOM 192 N ARG A 13 8.031 -2.531 5.979 1.00 34.04 N ATOM 193 CA ARG A 13 9.288 -3.224 6.297 1.00 21.15 C ATOM 194 C ARG A 13 9.655 -4.232 5.194 1.00 4.13 C ATOM 195 O ARG A 13 8.809 -5.016 4.755 1.00 1.40 O ATOM 196 CB ARG A 13 9.161 -3.950 7.646 1.00 35.30 C ATOM 197 CG ARG A 13 10.409 -4.740 8.046 1.00 23.51 C ATOM 198 CD ARG A 13 10.171 -5.604 9.284 1.00 74.12 C ATOM 199 NE ARG A 13 9.954 -4.812 10.496 1.00 34.33 N ATOM 200 CZ ARG A 13 9.258 -5.227 11.528 1.00 54.43 C ATOM 201 NH1 ARG A 13 8.581 -6.328 11.465 1.00 21.05 N ATOM 202 NH2 ARG A 13 9.201 -4.516 12.606 1.00 41.01 N ATOM 0 H ARG A 13 7.256 -3.155 5.757 1.00 34.04 H new ATOM 0 HA ARG A 13 10.081 -2.479 6.360 1.00 21.15 H new ATOM 0 HB2 ARG A 13 8.943 -3.217 8.423 1.00 35.30 H new ATOM 0 HB3 ARG A 13 8.311 -4.631 7.602 1.00 35.30 H new ATOM 0 HG2 ARG A 13 10.717 -5.375 7.215 1.00 23.51 H new ATOM 0 HG3 ARG A 13 11.229 -4.048 8.240 1.00 23.51 H new ATOM 0 HD2 ARG A 13 9.305 -6.244 9.114 1.00 74.12 H new ATOM 0 HD3 ARG A 13 11.028 -6.261 9.433 1.00 74.12 H new ATOM 0 HE ARG A 13 10.369 -3.881 10.541 1.00 34.33 H new ATOM 0 HH11 ARG A 13 8.586 -6.881 10.608 1.00 21.05 H new ATOM 0 HH12 ARG A 13 8.043 -6.643 12.272 1.00 21.05 H new ATOM 0 HH21 ARG A 13 9.699 -3.627 12.658 1.00 41.01 H new ATOM 0 HH22 ARG A 13 8.658 -4.844 13.405 1.00 41.01 H new ATOM 216 N ILE A 14 10.912 -4.202 4.747 1.00 52.22 N ATOM 217 CA ILE A 14 11.403 -5.147 3.734 1.00 41.33 C ATOM 218 C ILE A 14 11.432 -6.583 4.287 1.00 34.34 C ATOM 219 O ILE A 14 12.141 -6.872 5.256 1.00 41.23 O ATOM 220 CB ILE A 14 12.822 -4.759 3.238 1.00 43.02 C ATOM 221 CG1 ILE A 14 12.835 -3.319 2.688 1.00 60.10 C ATOM 222 CG2 ILE A 14 13.312 -5.746 2.175 1.00 62.10 C ATOM 223 CD1 ILE A 14 11.932 -3.108 1.488 1.00 62.41 C ATOM 0 H ILE A 14 11.612 -3.534 5.069 1.00 52.22 H new ATOM 0 HA ILE A 14 10.712 -5.101 2.892 1.00 41.33 H new ATOM 0 HB ILE A 14 13.503 -4.805 4.088 1.00 43.02 H new ATOM 0 HG12 ILE A 14 12.533 -2.635 3.481 1.00 60.10 H new ATOM 0 HG13 ILE A 14 13.856 -3.056 2.412 1.00 60.10 H new ATOM 0 HG21 ILE A 14 14.308 -5.456 1.841 1.00 62.10 H new ATOM 0 HG22 ILE A 14 13.349 -6.749 2.600 1.00 62.10 H new ATOM 0 HG23 ILE A 14 12.628 -5.736 1.327 1.00 62.10 H new ATOM 0 HD11 ILE A 14 11.998 -2.070 1.161 1.00 62.41 H new ATOM 0 HD12 ILE A 14 12.246 -3.764 0.676 1.00 62.41 H new ATOM 0 HD13 ILE A 14 10.902 -3.337 1.763 1.00 62.41 H new ATOM 235 N LYS A 15 10.659 -7.477 3.668 1.00 61.13 N ATOM 236 CA LYS A 15 10.530 -8.859 4.152 1.00 14.45 C ATOM 237 C LYS A 15 11.375 -9.847 3.334 1.00 11.12 C ATOM 238 O LYS A 15 12.278 -10.496 3.868 1.00 10.11 O ATOM 239 CB LYS A 15 9.054 -9.281 4.123 1.00 24.14 C ATOM 240 CG LYS A 15 8.162 -8.395 4.987 1.00 43.02 C ATOM 241 CD LYS A 15 8.489 -8.539 6.470 1.00 54.35 C ATOM 242 CE LYS A 15 8.019 -9.878 7.031 1.00 13.30 C ATOM 243 NZ LYS A 15 6.543 -10.040 6.923 1.00 43.21 N ATOM 0 H LYS A 15 10.112 -7.272 2.832 1.00 61.13 H new ATOM 0 HA LYS A 15 10.906 -8.885 5.175 1.00 14.45 H new ATOM 0 HB2 LYS A 15 8.695 -9.255 3.094 1.00 24.14 H new ATOM 0 HB3 LYS A 15 8.970 -10.313 4.464 1.00 24.14 H new ATOM 0 HG2 LYS A 15 8.283 -7.354 4.687 1.00 43.02 H new ATOM 0 HG3 LYS A 15 7.117 -8.656 4.818 1.00 43.02 H new ATOM 0 HD2 LYS A 15 9.565 -8.443 6.615 1.00 54.35 H new ATOM 0 HD3 LYS A 15 8.018 -7.728 7.026 1.00 54.35 H new ATOM 0 HE2 LYS A 15 8.513 -10.689 6.496 1.00 13.30 H new ATOM 0 HE3 LYS A 15 8.317 -9.958 8.076 1.00 13.30 H new ATOM 0 HZ1 LYS A 15 6.252 -10.906 7.420 1.00 43.21 H new ATOM 0 HZ2 LYS A 15 6.071 -9.219 7.353 1.00 43.21 H new ATOM 0 HZ3 LYS A 15 6.274 -10.109 5.921 1.00 43.21 H new ATOM 257 N ARG A 16 11.079 -9.969 2.041 1.00 0.50 N ATOM 258 CA ARG A 16 11.775 -10.943 1.193 1.00 54.41 C ATOM 259 C ARG A 16 11.895 -10.471 -0.263 1.00 63.41 C ATOM 260 O ARG A 16 11.052 -9.725 -0.767 1.00 12.43 O ATOM 261 CB ARG A 16 11.050 -12.296 1.248 1.00 65.11 C ATOM 262 CG ARG A 16 9.620 -12.252 0.722 1.00 51.14 C ATOM 263 CD ARG A 16 8.916 -13.596 0.866 1.00 72.31 C ATOM 264 NE ARG A 16 9.613 -14.671 0.158 1.00 62.43 N ATOM 265 CZ ARG A 16 9.011 -15.658 -0.454 1.00 41.12 C ATOM 266 NH1 ARG A 16 7.718 -15.694 -0.538 1.00 11.54 N ATOM 267 NH2 ARG A 16 9.707 -16.597 -1.004 1.00 52.01 N ATOM 0 H ARG A 16 10.371 -9.414 1.560 1.00 0.50 H new ATOM 0 HA ARG A 16 12.787 -11.049 1.583 1.00 54.41 H new ATOM 0 HB2 ARG A 16 11.617 -13.025 0.669 1.00 65.11 H new ATOM 0 HB3 ARG A 16 11.037 -12.648 2.279 1.00 65.11 H new ATOM 0 HG2 ARG A 16 9.059 -11.489 1.262 1.00 51.14 H new ATOM 0 HG3 ARG A 16 9.629 -11.958 -0.328 1.00 51.14 H new ATOM 0 HD2 ARG A 16 8.839 -13.851 1.923 1.00 72.31 H new ATOM 0 HD3 ARG A 16 7.899 -13.513 0.483 1.00 72.31 H new ATOM 0 HE ARG A 16 10.633 -14.649 0.141 1.00 62.43 H new ATOM 0 HH11 ARG A 16 7.159 -14.948 -0.124 1.00 11.54 H new ATOM 0 HH12 ARG A 16 7.259 -16.469 -1.018 1.00 11.54 H new ATOM 0 HH21 ARG A 16 10.726 -16.569 -0.961 1.00 52.01 H new ATOM 0 HH22 ARG A 16 9.238 -17.367 -1.481 1.00 52.01 H new ATOM 281 N LEU A 17 12.961 -10.914 -0.928 1.00 32.53 N ATOM 282 CA LEU A 17 13.200 -10.606 -2.341 1.00 40.04 C ATOM 283 C LEU A 17 13.122 -11.890 -3.187 1.00 2.11 C ATOM 284 O LEU A 17 13.980 -12.769 -3.076 1.00 51.01 O ATOM 285 CB LEU A 17 14.583 -9.947 -2.530 1.00 75.10 C ATOM 286 CG LEU A 17 14.814 -8.602 -1.804 1.00 2.34 C ATOM 287 CD1 LEU A 17 14.936 -8.792 -0.292 1.00 41.30 C ATOM 288 CD2 LEU A 17 16.055 -7.904 -2.353 1.00 14.33 C ATOM 0 H LEU A 17 13.684 -11.496 -0.505 1.00 32.53 H new ATOM 0 HA LEU A 17 12.430 -9.909 -2.671 1.00 40.04 H new ATOM 0 HB2 LEU A 17 15.344 -10.651 -2.194 1.00 75.10 H new ATOM 0 HB3 LEU A 17 14.743 -9.790 -3.597 1.00 75.10 H new ATOM 0 HG LEU A 17 13.943 -7.973 -1.991 1.00 2.34 H new ATOM 0 HD11 LEU A 17 15.098 -7.825 0.184 1.00 41.30 H new ATOM 0 HD12 LEU A 17 14.019 -9.238 0.094 1.00 41.30 H new ATOM 0 HD13 LEU A 17 15.778 -9.449 -0.075 1.00 41.30 H new ATOM 0 HD21 LEU A 17 16.202 -6.959 -1.830 1.00 14.33 H new ATOM 0 HD22 LEU A 17 16.927 -8.541 -2.203 1.00 14.33 H new ATOM 0 HD23 LEU A 17 15.924 -7.713 -3.418 1.00 14.33 H new ATOM 300 N GLU A 18 12.108 -11.988 -4.045 1.00 4.10 N ATOM 301 CA GLU A 18 11.898 -13.190 -4.877 1.00 73.15 C ATOM 302 C GLU A 18 12.794 -13.188 -6.135 1.00 71.03 C ATOM 303 O GLU A 18 12.475 -13.827 -7.142 1.00 22.44 O ATOM 304 CB GLU A 18 10.416 -13.285 -5.275 1.00 64.11 C ATOM 305 CG GLU A 18 9.925 -12.101 -6.100 1.00 0.45 C ATOM 306 CD GLU A 18 8.422 -12.113 -6.324 1.00 44.15 C ATOM 307 OE1 GLU A 18 7.678 -11.762 -5.384 1.00 4.14 O ATOM 308 OE2 GLU A 18 7.979 -12.472 -7.439 1.00 12.53 O ATOM 0 H GLU A 18 11.414 -11.254 -4.188 1.00 4.10 H new ATOM 0 HA GLU A 18 12.178 -14.062 -4.286 1.00 73.15 H new ATOM 0 HB2 GLU A 18 10.260 -14.202 -5.843 1.00 64.11 H new ATOM 0 HB3 GLU A 18 9.811 -13.363 -4.372 1.00 64.11 H new ATOM 0 HG2 GLU A 18 10.204 -11.175 -5.597 1.00 0.45 H new ATOM 0 HG3 GLU A 18 10.430 -12.104 -7.066 1.00 0.45 H new ATOM 315 N VAL A 19 13.930 -12.495 -6.058 1.00 54.31 N ATOM 316 CA VAL A 19 14.857 -12.384 -7.189 1.00 50.45 C ATOM 317 C VAL A 19 16.324 -12.443 -6.732 1.00 72.04 C ATOM 318 O VAL A 19 16.707 -11.820 -5.739 1.00 51.23 O ATOM 319 CB VAL A 19 14.616 -11.068 -7.976 1.00 70.14 C ATOM 320 CG1 VAL A 19 14.786 -9.845 -7.071 1.00 62.22 C ATOM 321 CG2 VAL A 19 15.539 -10.982 -9.193 1.00 22.53 C ATOM 0 H VAL A 19 14.233 -11.999 -5.220 1.00 54.31 H new ATOM 0 HA VAL A 19 14.663 -13.236 -7.841 1.00 50.45 H new ATOM 0 HB VAL A 19 13.587 -11.077 -8.334 1.00 70.14 H new ATOM 0 HG11 VAL A 19 14.611 -8.938 -7.649 1.00 62.22 H new ATOM 0 HG12 VAL A 19 14.070 -9.897 -6.251 1.00 62.22 H new ATOM 0 HG13 VAL A 19 15.798 -9.829 -6.667 1.00 62.22 H new ATOM 0 HG21 VAL A 19 15.351 -10.051 -9.728 1.00 22.53 H new ATOM 0 HG22 VAL A 19 16.578 -11.008 -8.864 1.00 22.53 H new ATOM 0 HG23 VAL A 19 15.347 -11.826 -9.856 1.00 22.53 H new ATOM 331 N SER A 20 17.140 -13.203 -7.457 1.00 60.41 N ATOM 332 CA SER A 20 18.580 -13.298 -7.176 1.00 43.12 C ATOM 333 C SER A 20 19.398 -12.900 -8.408 1.00 30.22 C ATOM 334 O SER A 20 18.905 -12.961 -9.536 1.00 34.01 O ATOM 335 CB SER A 20 18.949 -14.723 -6.741 1.00 73.53 C ATOM 336 OG SER A 20 18.247 -15.105 -5.564 1.00 43.24 O ATOM 0 H SER A 20 16.832 -13.767 -8.249 1.00 60.41 H new ATOM 0 HA SER A 20 18.814 -12.609 -6.364 1.00 43.12 H new ATOM 0 HB2 SER A 20 18.720 -15.421 -7.546 1.00 73.53 H new ATOM 0 HB3 SER A 20 20.022 -14.784 -6.562 1.00 73.53 H new ATOM 0 HG SER A 20 18.502 -16.017 -5.313 1.00 43.24 H new ATOM 342 N GLY A 21 20.644 -12.483 -8.194 1.00 22.44 N ATOM 343 CA GLY A 21 21.501 -12.069 -9.304 1.00 71.33 C ATOM 344 C GLY A 21 21.799 -10.571 -9.305 1.00 71.24 C ATOM 345 O GLY A 21 21.788 -9.930 -8.250 1.00 42.12 O ATOM 0 H GLY A 21 21.079 -12.423 -7.274 1.00 22.44 H new ATOM 0 HA2 GLY A 21 22.440 -12.620 -9.255 1.00 71.33 H new ATOM 0 HA3 GLY A 21 21.022 -12.339 -10.245 1.00 71.33 H new ATOM 349 N GLU A 22 22.041 -10.012 -10.493 1.00 10.23 N ATOM 350 CA GLU A 22 22.427 -8.599 -10.644 1.00 2.41 C ATOM 351 C GLU A 22 21.471 -7.647 -9.898 1.00 24.45 C ATOM 352 O GLU A 22 21.910 -6.719 -9.216 1.00 24.53 O ATOM 353 CB GLU A 22 22.497 -8.205 -12.132 1.00 74.54 C ATOM 354 CG GLU A 22 23.587 -8.925 -12.937 1.00 51.22 C ATOM 355 CD GLU A 22 23.229 -10.363 -13.291 1.00 2.33 C ATOM 356 OE1 GLU A 22 23.463 -11.267 -12.462 1.00 40.35 O ATOM 357 OE2 GLU A 22 22.709 -10.596 -14.401 1.00 44.40 O ATOM 0 H GLU A 22 21.977 -10.519 -11.376 1.00 10.23 H new ATOM 0 HA GLU A 22 23.415 -8.497 -10.196 1.00 2.41 H new ATOM 0 HB2 GLU A 22 21.530 -8.408 -12.593 1.00 74.54 H new ATOM 0 HB3 GLU A 22 22.664 -7.130 -12.201 1.00 74.54 H new ATOM 0 HG2 GLU A 22 23.777 -8.369 -13.855 1.00 51.22 H new ATOM 0 HG3 GLU A 22 24.514 -8.920 -12.364 1.00 51.22 H new ATOM 364 N LEU A 23 20.167 -7.885 -10.023 1.00 22.51 N ATOM 365 CA LEU A 23 19.168 -7.046 -9.351 1.00 72.21 C ATOM 366 C LEU A 23 19.262 -7.176 -7.820 1.00 31.22 C ATOM 367 O LEU A 23 19.171 -6.187 -7.096 1.00 1.31 O ATOM 368 CB LEU A 23 17.756 -7.415 -9.832 1.00 32.10 C ATOM 369 CG LEU A 23 16.615 -6.560 -9.250 1.00 72.21 C ATOM 370 CD1 LEU A 23 16.838 -5.079 -9.548 1.00 31.05 C ATOM 371 CD2 LEU A 23 15.264 -7.021 -9.796 1.00 34.15 C ATOM 0 H LEU A 23 19.776 -8.646 -10.579 1.00 22.51 H new ATOM 0 HA LEU A 23 19.373 -6.007 -9.610 1.00 72.21 H new ATOM 0 HB2 LEU A 23 17.729 -7.336 -10.919 1.00 32.10 H new ATOM 0 HB3 LEU A 23 17.567 -8.459 -9.584 1.00 32.10 H new ATOM 0 HG LEU A 23 16.612 -6.691 -8.168 1.00 72.21 H new ATOM 0 HD11 LEU A 23 16.019 -4.496 -9.127 1.00 31.05 H new ATOM 0 HD12 LEU A 23 17.779 -4.756 -9.104 1.00 31.05 H new ATOM 0 HD13 LEU A 23 16.875 -4.926 -10.627 1.00 31.05 H new ATOM 0 HD21 LEU A 23 14.471 -6.404 -9.373 1.00 34.15 H new ATOM 0 HD22 LEU A 23 15.258 -6.925 -10.882 1.00 34.15 H new ATOM 0 HD23 LEU A 23 15.098 -8.063 -9.523 1.00 34.15 H new ATOM 383 N HIS A 24 19.469 -8.400 -7.335 1.00 4.54 N ATOM 384 CA HIS A 24 19.547 -8.658 -5.889 1.00 33.22 C ATOM 385 C HIS A 24 20.738 -7.920 -5.253 1.00 14.31 C ATOM 386 O HIS A 24 20.586 -7.229 -4.245 1.00 62.32 O ATOM 387 CB HIS A 24 19.662 -10.165 -5.625 1.00 65.33 C ATOM 388 CG HIS A 24 19.611 -10.538 -4.173 1.00 41.35 C ATOM 389 ND1 HIS A 24 20.725 -10.567 -3.364 1.00 42.01 N ATOM 390 CD2 HIS A 24 18.574 -10.919 -3.390 1.00 71.22 C ATOM 391 CE1 HIS A 24 20.378 -10.951 -2.152 1.00 43.42 C ATOM 392 NE2 HIS A 24 19.078 -11.171 -2.137 1.00 74.42 N ATOM 0 H HIS A 24 19.586 -9.230 -7.917 1.00 4.54 H new ATOM 0 HA HIS A 24 18.632 -8.282 -5.432 1.00 33.22 H new ATOM 0 HB2 HIS A 24 18.855 -10.677 -6.149 1.00 65.33 H new ATOM 0 HB3 HIS A 24 20.598 -10.527 -6.049 1.00 65.33 H new ATOM 0 HD2 HIS A 24 17.542 -11.008 -3.694 1.00 71.22 H new ATOM 0 HE1 HIS A 24 21.047 -11.066 -1.312 1.00 43.42 H new ATOM 0 HE2 HIS A 24 18.536 -11.478 -1.329 1.00 74.42 H new ATOM 401 N GLU A 25 21.919 -8.076 -5.853 1.00 34.41 N ATOM 402 CA GLU A 25 23.136 -7.419 -5.356 1.00 44.42 C ATOM 403 C GLU A 25 23.050 -5.889 -5.499 1.00 73.25 C ATOM 404 O GLU A 25 23.726 -5.151 -4.782 1.00 71.11 O ATOM 405 CB GLU A 25 24.368 -7.978 -6.079 1.00 41.51 C ATOM 406 CG GLU A 25 24.294 -7.880 -7.597 1.00 24.35 C ATOM 407 CD GLU A 25 25.317 -8.764 -8.293 1.00 44.51 C ATOM 408 OE1 GLU A 25 25.034 -9.966 -8.484 1.00 21.54 O ATOM 409 OE2 GLU A 25 26.406 -8.265 -8.638 1.00 54.20 O ATOM 0 H GLU A 25 22.062 -8.651 -6.684 1.00 34.41 H new ATOM 0 HA GLU A 25 23.231 -7.634 -4.292 1.00 44.42 H new ATOM 0 HB2 GLU A 25 25.253 -7.443 -5.734 1.00 41.51 H new ATOM 0 HB3 GLU A 25 24.498 -9.023 -5.799 1.00 41.51 H new ATOM 0 HG2 GLU A 25 23.294 -8.160 -7.927 1.00 24.35 H new ATOM 0 HG3 GLU A 25 24.450 -6.844 -7.898 1.00 24.35 H new ATOM 416 N LYS A 26 22.212 -5.417 -6.421 1.00 54.51 N ATOM 417 CA LYS A 26 21.888 -3.989 -6.508 1.00 22.44 C ATOM 418 C LYS A 26 21.073 -3.554 -5.279 1.00 64.54 C ATOM 419 O LYS A 26 21.453 -2.634 -4.546 1.00 71.11 O ATOM 420 CB LYS A 26 21.083 -3.695 -7.790 1.00 51.21 C ATOM 421 CG LYS A 26 20.533 -2.270 -7.857 1.00 33.54 C ATOM 422 CD LYS A 26 19.509 -2.091 -8.981 1.00 1.01 C ATOM 423 CE LYS A 26 18.827 -0.727 -8.908 1.00 41.21 C ATOM 424 NZ LYS A 26 17.789 -0.552 -9.961 1.00 52.31 N ATOM 0 H LYS A 26 21.745 -5.998 -7.117 1.00 54.51 H new ATOM 0 HA LYS A 26 22.822 -3.427 -6.539 1.00 22.44 H new ATOM 0 HB2 LYS A 26 21.720 -3.870 -8.657 1.00 51.21 H new ATOM 0 HB3 LYS A 26 20.253 -4.399 -7.857 1.00 51.21 H new ATOM 0 HG2 LYS A 26 20.069 -2.017 -6.903 1.00 33.54 H new ATOM 0 HG3 LYS A 26 21.357 -1.572 -8.006 1.00 33.54 H new ATOM 0 HD2 LYS A 26 20.004 -2.200 -9.946 1.00 1.01 H new ATOM 0 HD3 LYS A 26 18.758 -2.878 -8.918 1.00 1.01 H new ATOM 0 HE2 LYS A 26 18.369 -0.606 -7.927 1.00 41.21 H new ATOM 0 HE3 LYS A 26 19.578 0.057 -9.008 1.00 41.21 H new ATOM 0 HZ1 LYS A 26 17.264 0.329 -9.788 1.00 52.31 H new ATOM 0 HZ2 LYS A 26 18.246 -0.505 -10.894 1.00 52.31 H new ATOM 0 HZ3 LYS A 26 17.132 -1.357 -9.938 1.00 52.31 H new ATOM 438 N LEU A 27 19.963 -4.256 -5.056 1.00 61.54 N ATOM 439 CA LEU A 27 18.995 -3.914 -4.009 1.00 25.21 C ATOM 440 C LEU A 27 19.607 -3.933 -2.596 1.00 35.51 C ATOM 441 O LEU A 27 19.321 -3.052 -1.780 1.00 52.31 O ATOM 442 CB LEU A 27 17.802 -4.876 -4.081 1.00 63.33 C ATOM 443 CG LEU A 27 17.005 -4.838 -5.397 1.00 70.23 C ATOM 444 CD1 LEU A 27 15.919 -5.910 -5.404 1.00 43.22 C ATOM 445 CD2 LEU A 27 16.400 -3.453 -5.626 1.00 14.53 C ATOM 0 H LEU A 27 19.707 -5.082 -5.597 1.00 61.54 H new ATOM 0 HA LEU A 27 18.667 -2.891 -4.193 1.00 25.21 H new ATOM 0 HB2 LEU A 27 18.165 -5.892 -3.925 1.00 63.33 H new ATOM 0 HB3 LEU A 27 17.124 -4.650 -3.258 1.00 63.33 H new ATOM 0 HG LEU A 27 17.694 -5.047 -6.216 1.00 70.23 H new ATOM 0 HD11 LEU A 27 15.369 -5.864 -6.344 1.00 43.22 H new ATOM 0 HD12 LEU A 27 16.378 -6.893 -5.300 1.00 43.22 H new ATOM 0 HD13 LEU A 27 15.234 -5.739 -4.574 1.00 43.22 H new ATOM 0 HD21 LEU A 27 15.841 -3.450 -6.562 1.00 14.53 H new ATOM 0 HD22 LEU A 27 15.729 -3.208 -4.802 1.00 14.53 H new ATOM 0 HD23 LEU A 27 17.197 -2.712 -5.677 1.00 14.53 H new ATOM 457 N VAL A 28 20.443 -4.930 -2.302 1.00 64.32 N ATOM 458 CA VAL A 28 21.063 -5.042 -0.970 1.00 12.13 C ATOM 459 C VAL A 28 21.846 -3.769 -0.590 1.00 45.10 C ATOM 460 O VAL A 28 21.721 -3.266 0.528 1.00 44.24 O ATOM 461 CB VAL A 28 21.991 -6.284 -0.860 1.00 70.10 C ATOM 462 CG1 VAL A 28 21.192 -7.572 -1.048 1.00 43.33 C ATOM 463 CG2 VAL A 28 23.141 -6.214 -1.862 1.00 50.02 C ATOM 0 H VAL A 28 20.708 -5.666 -2.956 1.00 64.32 H new ATOM 0 HA VAL A 28 20.241 -5.165 -0.265 1.00 12.13 H new ATOM 0 HB VAL A 28 22.423 -6.286 0.141 1.00 70.10 H new ATOM 0 HG11 VAL A 28 21.860 -8.430 -0.967 1.00 43.33 H new ATOM 0 HG12 VAL A 28 20.422 -7.638 -0.279 1.00 43.33 H new ATOM 0 HG13 VAL A 28 20.723 -7.569 -2.032 1.00 43.33 H new ATOM 0 HG21 VAL A 28 23.769 -7.098 -1.757 1.00 50.02 H new ATOM 0 HG22 VAL A 28 22.739 -6.172 -2.874 1.00 50.02 H new ATOM 0 HG23 VAL A 28 23.736 -5.321 -1.671 1.00 50.02 H new ATOM 473 N GLY A 29 22.627 -3.238 -1.533 1.00 45.10 N ATOM 474 CA GLY A 29 23.360 -1.994 -1.295 1.00 52.22 C ATOM 475 C GLY A 29 22.438 -0.783 -1.171 1.00 2.41 C ATOM 476 O GLY A 29 22.746 0.185 -0.471 1.00 31.13 O ATOM 0 H GLY A 29 22.767 -3.644 -2.458 1.00 45.10 H new ATOM 0 HA2 GLY A 29 23.949 -2.092 -0.383 1.00 52.22 H new ATOM 0 HA3 GLY A 29 24.063 -1.829 -2.112 1.00 52.22 H new ATOM 480 N MET A 30 21.297 -0.847 -1.853 1.00 50.32 N ATOM 481 CA MET A 30 20.287 0.215 -1.787 1.00 2.31 C ATOM 482 C MET A 30 19.492 0.149 -0.471 1.00 65.44 C ATOM 483 O MET A 30 18.753 1.071 -0.135 1.00 4.13 O ATOM 484 CB MET A 30 19.341 0.109 -2.990 1.00 20.23 C ATOM 485 CG MET A 30 20.057 0.229 -4.330 1.00 72.43 C ATOM 486 SD MET A 30 18.979 -0.106 -5.740 1.00 33.22 S ATOM 487 CE MET A 30 17.810 1.244 -5.618 1.00 12.10 C ATOM 0 H MET A 30 21.045 -1.626 -2.462 1.00 50.32 H new ATOM 0 HA MET A 30 20.799 1.177 -1.817 1.00 2.31 H new ATOM 0 HB2 MET A 30 18.818 -0.846 -2.949 1.00 20.23 H new ATOM 0 HB3 MET A 30 18.584 0.890 -2.919 1.00 20.23 H new ATOM 0 HG2 MET A 30 20.470 1.233 -4.426 1.00 72.43 H new ATOM 0 HG3 MET A 30 20.898 -0.465 -4.350 1.00 72.43 H new ATOM 0 HE1 MET A 30 17.356 1.422 -6.593 1.00 12.10 H new ATOM 0 HE2 MET A 30 17.033 0.988 -4.898 1.00 12.10 H new ATOM 0 HE3 MET A 30 18.328 2.145 -5.289 1.00 12.10 H new ATOM 497 N GLY A 31 19.655 -0.944 0.274 1.00 44.15 N ATOM 498 CA GLY A 31 19.009 -1.072 1.579 1.00 43.34 C ATOM 499 C GLY A 31 17.902 -2.123 1.625 1.00 42.15 C ATOM 500 O GLY A 31 17.308 -2.357 2.676 1.00 34.51 O ATOM 0 H GLY A 31 20.223 -1.746 -0.000 1.00 44.15 H new ATOM 0 HA2 GLY A 31 19.765 -1.322 2.324 1.00 43.34 H new ATOM 0 HA3 GLY A 31 18.591 -0.106 1.862 1.00 43.34 H new ATOM 504 N PHE A 32 17.621 -2.766 0.494 1.00 22.42 N ATOM 505 CA PHE A 32 16.567 -3.786 0.437 1.00 60.24 C ATOM 506 C PHE A 32 17.032 -5.116 1.053 1.00 32.25 C ATOM 507 O PHE A 32 17.352 -6.077 0.347 1.00 12.54 O ATOM 508 CB PHE A 32 16.094 -3.998 -1.007 1.00 63.25 C ATOM 509 CG PHE A 32 15.422 -2.786 -1.607 1.00 3.31 C ATOM 510 CD1 PHE A 32 16.159 -1.819 -2.276 1.00 22.32 C ATOM 511 CD2 PHE A 32 14.048 -2.613 -1.496 1.00 53.44 C ATOM 512 CE1 PHE A 32 15.542 -0.710 -2.821 1.00 1.54 C ATOM 513 CE2 PHE A 32 13.427 -1.505 -2.039 1.00 11.32 C ATOM 514 CZ PHE A 32 14.174 -0.552 -2.702 1.00 30.23 C ATOM 0 H PHE A 32 18.102 -2.604 -0.391 1.00 22.42 H new ATOM 0 HA PHE A 32 15.727 -3.422 1.029 1.00 60.24 H new ATOM 0 HB2 PHE A 32 16.950 -4.272 -1.624 1.00 63.25 H new ATOM 0 HB3 PHE A 32 15.400 -4.838 -1.034 1.00 63.25 H new ATOM 0 HD1 PHE A 32 17.228 -1.935 -2.372 1.00 22.32 H new ATOM 0 HD2 PHE A 32 13.458 -3.355 -0.978 1.00 53.44 H new ATOM 0 HE1 PHE A 32 16.128 0.034 -3.340 1.00 1.54 H new ATOM 0 HE2 PHE A 32 12.358 -1.384 -1.945 1.00 11.32 H new ATOM 0 HZ PHE A 32 13.690 0.315 -3.127 1.00 30.23 H new ATOM 524 N VAL A 33 17.102 -5.147 2.380 1.00 61.14 N ATOM 525 CA VAL A 33 17.432 -6.368 3.120 1.00 64.41 C ATOM 526 C VAL A 33 16.387 -6.633 4.217 1.00 3.44 C ATOM 527 O VAL A 33 15.855 -5.697 4.822 1.00 75.44 O ATOM 528 CB VAL A 33 18.853 -6.301 3.754 1.00 63.21 C ATOM 529 CG1 VAL A 33 19.932 -6.214 2.673 1.00 54.11 C ATOM 530 CG2 VAL A 33 18.966 -5.129 4.725 1.00 25.22 C ATOM 0 H VAL A 33 16.933 -4.334 2.973 1.00 61.14 H new ATOM 0 HA VAL A 33 17.423 -7.189 2.403 1.00 64.41 H new ATOM 0 HB VAL A 33 19.010 -7.222 4.316 1.00 63.21 H new ATOM 0 HG11 VAL A 33 20.915 -6.168 3.143 1.00 54.11 H new ATOM 0 HG12 VAL A 33 19.877 -7.094 2.032 1.00 54.11 H new ATOM 0 HG13 VAL A 33 19.775 -5.318 2.073 1.00 54.11 H new ATOM 0 HG21 VAL A 33 19.968 -5.106 5.153 1.00 25.22 H new ATOM 0 HG22 VAL A 33 18.777 -4.196 4.193 1.00 25.22 H new ATOM 0 HG23 VAL A 33 18.233 -5.246 5.523 1.00 25.22 H new ATOM 540 N PRO A 34 16.064 -7.914 4.476 1.00 72.52 N ATOM 541 CA PRO A 34 15.047 -8.295 5.475 1.00 32.24 C ATOM 542 C PRO A 34 15.267 -7.629 6.847 1.00 41.02 C ATOM 543 O PRO A 34 16.206 -7.967 7.572 1.00 50.04 O ATOM 544 CB PRO A 34 15.207 -9.817 5.578 1.00 24.30 C ATOM 545 CG PRO A 34 15.761 -10.227 4.254 1.00 52.22 C ATOM 546 CD PRO A 34 16.655 -9.098 3.816 1.00 42.32 C ATOM 0 HA PRO A 34 14.049 -7.973 5.176 1.00 32.24 H new ATOM 0 HB2 PRO A 34 15.879 -10.091 6.391 1.00 24.30 H new ATOM 0 HB3 PRO A 34 14.252 -10.304 5.776 1.00 24.30 H new ATOM 0 HG2 PRO A 34 16.320 -11.159 4.336 1.00 52.22 H new ATOM 0 HG3 PRO A 34 14.963 -10.396 3.532 1.00 52.22 H new ATOM 0 HD2 PRO A 34 17.687 -9.259 4.129 1.00 42.32 H new ATOM 0 HD3 PRO A 34 16.664 -8.990 2.731 1.00 42.32 H new ATOM 554 N GLY A 35 14.406 -6.669 7.191 1.00 73.13 N ATOM 555 CA GLY A 35 14.508 -5.997 8.486 1.00 2.14 C ATOM 556 C GLY A 35 14.574 -4.473 8.394 1.00 42.40 C ATOM 557 O GLY A 35 14.435 -3.785 9.405 1.00 32.43 O ATOM 0 H GLY A 35 13.641 -6.344 6.600 1.00 73.13 H new ATOM 0 HA2 GLY A 35 13.650 -6.277 9.097 1.00 2.14 H new ATOM 0 HA3 GLY A 35 15.398 -6.358 9.002 1.00 2.14 H new ATOM 561 N GLU A 36 14.807 -3.939 7.197 1.00 12.11 N ATOM 562 CA GLU A 36 14.860 -2.480 7.003 1.00 30.12 C ATOM 563 C GLU A 36 13.457 -1.879 6.817 1.00 73.35 C ATOM 564 O GLU A 36 12.638 -2.414 6.070 1.00 62.55 O ATOM 565 CB GLU A 36 15.735 -2.126 5.787 1.00 32.12 C ATOM 566 CG GLU A 36 17.219 -2.436 5.972 1.00 4.31 C ATOM 567 CD GLU A 36 17.852 -1.650 7.109 1.00 2.01 C ATOM 568 OE1 GLU A 36 18.264 -0.490 6.887 1.00 13.33 O ATOM 569 OE2 GLU A 36 17.941 -2.186 8.235 1.00 72.32 O ATOM 0 H GLU A 36 14.962 -4.484 6.349 1.00 12.11 H new ATOM 0 HA GLU A 36 15.300 -2.052 7.904 1.00 30.12 H new ATOM 0 HB2 GLU A 36 15.367 -2.671 4.918 1.00 32.12 H new ATOM 0 HB3 GLU A 36 15.622 -1.064 5.569 1.00 32.12 H new ATOM 0 HG2 GLU A 36 17.341 -3.502 6.163 1.00 4.31 H new ATOM 0 HG3 GLU A 36 17.749 -2.215 5.046 1.00 4.31 H new ATOM 576 N GLU A 37 13.187 -0.767 7.503 1.00 63.44 N ATOM 577 CA GLU A 37 11.927 -0.035 7.332 1.00 54.10 C ATOM 578 C GLU A 37 12.030 0.976 6.177 1.00 50.22 C ATOM 579 O GLU A 37 13.037 1.674 6.028 1.00 71.35 O ATOM 580 CB GLU A 37 11.529 0.694 8.628 1.00 61.14 C ATOM 581 CG GLU A 37 10.950 -0.214 9.720 1.00 42.11 C ATOM 582 CD GLU A 37 11.952 -1.216 10.279 1.00 45.21 C ATOM 583 OE1 GLU A 37 13.038 -0.790 10.721 1.00 62.10 O ATOM 584 OE2 GLU A 37 11.644 -2.427 10.316 1.00 43.33 O ATOM 0 H GLU A 37 13.824 -0.352 8.183 1.00 63.44 H new ATOM 0 HA GLU A 37 11.155 -0.766 7.092 1.00 54.10 H new ATOM 0 HB2 GLU A 37 12.406 1.205 9.026 1.00 61.14 H new ATOM 0 HB3 GLU A 37 10.795 1.463 8.386 1.00 61.14 H new ATOM 0 HG2 GLU A 37 10.576 0.406 10.535 1.00 42.11 H new ATOM 0 HG3 GLU A 37 10.096 -0.756 9.314 1.00 42.11 H new ATOM 591 N ILE A 38 10.976 1.054 5.370 1.00 60.52 N ATOM 592 CA ILE A 38 10.955 1.923 4.191 1.00 31.51 C ATOM 593 C ILE A 38 9.625 2.691 4.072 1.00 2.23 C ATOM 594 O ILE A 38 8.543 2.108 4.171 1.00 23.11 O ATOM 595 CB ILE A 38 11.201 1.097 2.898 1.00 53.45 C ATOM 596 CG1 ILE A 38 11.148 2.000 1.654 1.00 34.43 C ATOM 597 CG2 ILE A 38 10.194 -0.051 2.783 1.00 22.30 C ATOM 598 CD1 ILE A 38 11.425 1.269 0.355 1.00 63.44 C ATOM 0 H ILE A 38 10.117 0.522 5.510 1.00 60.52 H new ATOM 0 HA ILE A 38 11.758 2.651 4.312 1.00 31.51 H new ATOM 0 HB ILE A 38 12.199 0.664 2.959 1.00 53.45 H new ATOM 0 HG12 ILE A 38 10.164 2.465 1.596 1.00 34.43 H new ATOM 0 HG13 ILE A 38 11.874 2.805 1.769 1.00 34.43 H new ATOM 0 HG21 ILE A 38 10.387 -0.614 1.870 1.00 22.30 H new ATOM 0 HG22 ILE A 38 10.295 -0.711 3.645 1.00 22.30 H new ATOM 0 HG23 ILE A 38 9.182 0.354 2.753 1.00 22.30 H new ATOM 0 HD11 ILE A 38 11.370 1.971 -0.477 1.00 63.44 H new ATOM 0 HD12 ILE A 38 12.421 0.827 0.391 1.00 63.44 H new ATOM 0 HD13 ILE A 38 10.684 0.482 0.215 1.00 63.44 H new ATOM 610 N GLU A 39 9.716 4.004 3.871 1.00 22.01 N ATOM 611 CA GLU A 39 8.529 4.849 3.672 1.00 34.53 C ATOM 612 C GLU A 39 8.528 5.472 2.264 1.00 32.40 C ATOM 613 O GLU A 39 9.550 5.979 1.796 1.00 52.15 O ATOM 614 CB GLU A 39 8.465 5.954 4.744 1.00 64.34 C ATOM 615 CG GLU A 39 9.701 6.852 4.791 1.00 40.03 C ATOM 616 CD GLU A 39 9.582 7.981 5.806 1.00 1.12 C ATOM 617 OE1 GLU A 39 9.796 7.732 7.012 1.00 54.44 O ATOM 618 OE2 GLU A 39 9.293 9.126 5.401 1.00 45.41 O ATOM 0 H GLU A 39 10.600 4.512 3.841 1.00 22.01 H new ATOM 0 HA GLU A 39 7.646 4.217 3.768 1.00 34.53 H new ATOM 0 HB2 GLU A 39 7.587 6.573 4.560 1.00 64.34 H new ATOM 0 HB3 GLU A 39 8.329 5.490 5.721 1.00 64.34 H new ATOM 0 HG2 GLU A 39 10.574 6.246 5.032 1.00 40.03 H new ATOM 0 HG3 GLU A 39 9.871 7.277 3.802 1.00 40.03 H new ATOM 625 N ILE A 40 7.387 5.416 1.583 1.00 63.10 N ATOM 626 CA ILE A 40 7.264 5.989 0.237 1.00 44.42 C ATOM 627 C ILE A 40 7.027 7.507 0.292 1.00 41.14 C ATOM 628 O ILE A 40 6.071 7.977 0.908 1.00 64.33 O ATOM 629 CB ILE A 40 6.113 5.325 -0.565 1.00 15.12 C ATOM 630 CG1 ILE A 40 6.346 3.811 -0.695 1.00 75.21 C ATOM 631 CG2 ILE A 40 5.974 5.967 -1.948 1.00 11.53 C ATOM 632 CD1 ILE A 40 7.583 3.435 -1.486 1.00 23.35 C ATOM 0 H ILE A 40 6.534 4.982 1.936 1.00 63.10 H new ATOM 0 HA ILE A 40 8.209 5.792 -0.270 1.00 44.42 H new ATOM 0 HB ILE A 40 5.183 5.485 -0.019 1.00 15.12 H new ATOM 0 HG12 ILE A 40 6.423 3.380 0.303 1.00 75.21 H new ATOM 0 HG13 ILE A 40 5.475 3.361 -1.170 1.00 75.21 H new ATOM 0 HG21 ILE A 40 5.161 5.486 -2.492 1.00 11.53 H new ATOM 0 HG22 ILE A 40 5.757 7.029 -1.836 1.00 11.53 H new ATOM 0 HG23 ILE A 40 6.905 5.843 -2.502 1.00 11.53 H new ATOM 0 HD11 ILE A 40 7.672 2.349 -1.529 1.00 23.35 H new ATOM 0 HD12 ILE A 40 7.503 3.833 -2.498 1.00 23.35 H new ATOM 0 HD13 ILE A 40 8.466 3.852 -1.001 1.00 23.35 H new ATOM 644 N VAL A 41 7.904 8.261 -0.360 1.00 51.51 N ATOM 645 CA VAL A 41 7.779 9.719 -0.428 1.00 22.00 C ATOM 646 C VAL A 41 6.666 10.138 -1.403 1.00 64.45 C ATOM 647 O VAL A 41 5.756 10.892 -1.041 1.00 34.22 O ATOM 648 CB VAL A 41 9.112 10.372 -0.876 1.00 61.33 C ATOM 649 CG1 VAL A 41 9.014 11.896 -0.858 1.00 31.11 C ATOM 650 CG2 VAL A 41 10.267 9.893 -0.005 1.00 34.52 C ATOM 0 H VAL A 41 8.715 7.888 -0.853 1.00 51.51 H new ATOM 0 HA VAL A 41 7.526 10.064 0.574 1.00 22.00 H new ATOM 0 HB VAL A 41 9.307 10.063 -1.903 1.00 61.33 H new ATOM 0 HG11 VAL A 41 9.964 12.325 -1.177 1.00 31.11 H new ATOM 0 HG12 VAL A 41 8.224 12.218 -1.537 1.00 31.11 H new ATOM 0 HG13 VAL A 41 8.784 12.234 0.152 1.00 31.11 H new ATOM 0 HG21 VAL A 41 11.192 10.364 -0.337 1.00 34.52 H new ATOM 0 HG22 VAL A 41 10.075 10.162 1.034 1.00 34.52 H new ATOM 0 HG23 VAL A 41 10.361 8.810 -0.088 1.00 34.52 H new ATOM 660 N GLN A 42 6.743 9.637 -2.639 1.00 10.41 N ATOM 661 CA GLN A 42 5.782 10.003 -3.686 1.00 1.10 C ATOM 662 C GLN A 42 5.832 9.038 -4.881 1.00 44.32 C ATOM 663 O GLN A 42 6.832 8.356 -5.110 1.00 1.24 O ATOM 664 CB GLN A 42 6.051 11.435 -4.170 1.00 30.54 C ATOM 665 CG GLN A 42 7.428 11.630 -4.799 1.00 11.13 C ATOM 666 CD GLN A 42 7.687 13.067 -5.219 1.00 13.10 C ATOM 667 OE1 GLN A 42 7.178 14.007 -4.613 1.00 12.43 O ATOM 668 NE2 GLN A 42 8.469 13.247 -6.263 1.00 11.44 N ATOM 0 H GLN A 42 7.460 8.977 -2.940 1.00 10.41 H new ATOM 0 HA GLN A 42 4.786 9.939 -3.248 1.00 1.10 H new ATOM 0 HB2 GLN A 42 5.288 11.711 -4.898 1.00 30.54 H new ATOM 0 HB3 GLN A 42 5.948 12.118 -3.327 1.00 30.54 H new ATOM 0 HG2 GLN A 42 8.194 11.321 -4.088 1.00 11.13 H new ATOM 0 HG3 GLN A 42 7.520 10.980 -5.669 1.00 11.13 H new ATOM 0 HE21 GLN A 42 8.874 12.442 -6.741 1.00 11.44 H new ATOM 0 HE22 GLN A 42 8.670 14.191 -6.593 1.00 11.44 H new ATOM 677 N VAL A 43 4.739 8.994 -5.637 1.00 15.44 N ATOM 678 CA VAL A 43 4.655 8.185 -6.858 1.00 73.44 C ATOM 679 C VAL A 43 4.720 9.081 -8.107 1.00 3.40 C ATOM 680 O VAL A 43 4.044 10.111 -8.170 1.00 1.02 O ATOM 681 CB VAL A 43 3.340 7.364 -6.888 1.00 34.22 C ATOM 682 CG1 VAL A 43 3.235 6.540 -8.170 1.00 61.15 C ATOM 683 CG2 VAL A 43 3.232 6.470 -5.652 1.00 1.12 C ATOM 0 H VAL A 43 3.888 9.514 -5.425 1.00 15.44 H new ATOM 0 HA VAL A 43 5.503 7.500 -6.859 1.00 73.44 H new ATOM 0 HB VAL A 43 2.505 8.064 -6.874 1.00 34.22 H new ATOM 0 HG11 VAL A 43 2.303 5.975 -8.164 1.00 61.15 H new ATOM 0 HG12 VAL A 43 3.250 7.206 -9.033 1.00 61.15 H new ATOM 0 HG13 VAL A 43 4.077 5.851 -8.229 1.00 61.15 H new ATOM 0 HG21 VAL A 43 2.302 5.903 -5.693 1.00 1.12 H new ATOM 0 HG22 VAL A 43 4.076 5.781 -5.626 1.00 1.12 H new ATOM 0 HG23 VAL A 43 3.240 7.088 -4.754 1.00 1.12 H new ATOM 693 N ALA A 44 5.528 8.685 -9.094 1.00 52.44 N ATOM 694 CA ALA A 44 5.678 9.458 -10.338 1.00 63.43 C ATOM 695 C ALA A 44 4.327 9.684 -11.047 1.00 30.25 C ATOM 696 O ALA A 44 3.446 8.820 -11.011 1.00 42.12 O ATOM 697 CB ALA A 44 6.653 8.752 -11.274 1.00 41.25 C ATOM 0 H ALA A 44 6.090 7.834 -9.060 1.00 52.44 H new ATOM 0 HA ALA A 44 6.072 10.439 -10.072 1.00 63.43 H new ATOM 0 HB1 ALA A 44 6.759 9.330 -12.192 1.00 41.25 H new ATOM 0 HB2 ALA A 44 7.624 8.663 -10.788 1.00 41.25 H new ATOM 0 HB3 ALA A 44 6.274 7.758 -11.512 1.00 41.25 H new ATOM 703 N PRO A 45 4.154 10.845 -11.719 1.00 35.32 N ATOM 704 CA PRO A 45 2.882 11.220 -12.383 1.00 73.00 C ATOM 705 C PRO A 45 2.375 10.176 -13.400 1.00 2.12 C ATOM 706 O PRO A 45 1.203 10.193 -13.782 1.00 52.33 O ATOM 707 CB PRO A 45 3.216 12.550 -13.090 1.00 31.21 C ATOM 708 CG PRO A 45 4.708 12.615 -13.118 1.00 4.24 C ATOM 709 CD PRO A 45 5.174 11.896 -11.883 1.00 62.20 C ATOM 0 HA PRO A 45 2.073 11.293 -11.656 1.00 73.00 H new ATOM 0 HB2 PRO A 45 2.802 12.575 -14.098 1.00 31.21 H new ATOM 0 HB3 PRO A 45 2.795 13.399 -12.551 1.00 31.21 H new ATOM 0 HG2 PRO A 45 5.103 12.143 -14.018 1.00 4.24 H new ATOM 0 HG3 PRO A 45 5.054 13.649 -13.122 1.00 4.24 H new ATOM 0 HD2 PRO A 45 6.172 11.476 -12.011 1.00 62.20 H new ATOM 0 HD3 PRO A 45 5.215 12.559 -11.019 1.00 62.20 H new ATOM 717 N LEU A 46 3.256 9.280 -13.843 1.00 40.23 N ATOM 718 CA LEU A 46 2.866 8.193 -14.756 1.00 32.52 C ATOM 719 C LEU A 46 2.366 6.963 -13.977 1.00 40.33 C ATOM 720 O LEU A 46 1.442 6.265 -14.406 1.00 12.22 O ATOM 721 CB LEU A 46 4.045 7.786 -15.660 1.00 70.43 C ATOM 722 CG LEU A 46 4.588 8.881 -16.600 1.00 13.22 C ATOM 723 CD1 LEU A 46 5.389 9.929 -15.828 1.00 12.42 C ATOM 724 CD2 LEU A 46 5.432 8.256 -17.713 1.00 75.14 C ATOM 0 H LEU A 46 4.244 9.281 -13.588 1.00 40.23 H new ATOM 0 HA LEU A 46 2.053 8.567 -15.378 1.00 32.52 H new ATOM 0 HB2 LEU A 46 4.862 7.443 -15.025 1.00 70.43 H new ATOM 0 HB3 LEU A 46 3.734 6.936 -16.267 1.00 70.43 H new ATOM 0 HG LEU A 46 3.738 9.390 -17.055 1.00 13.22 H new ATOM 0 HD11 LEU A 46 5.758 10.687 -16.519 1.00 12.42 H new ATOM 0 HD12 LEU A 46 4.749 10.399 -15.082 1.00 12.42 H new ATOM 0 HD13 LEU A 46 6.233 9.449 -15.332 1.00 12.42 H new ATOM 0 HD21 LEU A 46 5.808 9.041 -18.369 1.00 75.14 H new ATOM 0 HD22 LEU A 46 6.271 7.716 -17.274 1.00 75.14 H new ATOM 0 HD23 LEU A 46 4.818 7.565 -18.290 1.00 75.14 H new ATOM 736 N GLY A 47 2.974 6.722 -12.819 1.00 62.25 N ATOM 737 CA GLY A 47 2.680 5.527 -12.033 1.00 71.51 C ATOM 738 C GLY A 47 3.939 4.920 -11.424 1.00 63.43 C ATOM 739 O GLY A 47 3.903 4.346 -10.340 1.00 74.34 O ATOM 0 H GLY A 47 3.673 7.338 -12.404 1.00 62.25 H new ATOM 0 HA2 GLY A 47 1.978 5.779 -11.238 1.00 71.51 H new ATOM 0 HA3 GLY A 47 2.191 4.787 -12.667 1.00 71.51 H new ATOM 743 N ASP A 48 5.052 5.043 -12.145 1.00 61.33 N ATOM 744 CA ASP A 48 6.367 4.623 -11.655 1.00 74.25 C ATOM 745 C ASP A 48 7.478 5.447 -12.341 1.00 65.12 C ATOM 746 O ASP A 48 7.259 5.998 -13.422 1.00 52.45 O ATOM 747 CB ASP A 48 6.568 3.117 -11.886 1.00 51.04 C ATOM 748 CG ASP A 48 6.371 2.707 -13.334 1.00 34.33 C ATOM 749 OD1 ASP A 48 5.206 2.592 -13.768 1.00 50.43 O ATOM 750 OD2 ASP A 48 7.378 2.487 -14.039 1.00 43.44 O ATOM 0 H ASP A 48 5.069 5.437 -13.086 1.00 61.33 H new ATOM 0 HA ASP A 48 6.422 4.807 -10.582 1.00 74.25 H new ATOM 0 HB2 ASP A 48 7.573 2.837 -11.569 1.00 51.04 H new ATOM 0 HB3 ASP A 48 5.870 2.563 -11.259 1.00 51.04 H new ATOM 755 N PRO A 49 8.685 5.555 -11.744 1.00 42.52 N ATOM 756 CA PRO A 49 9.059 4.863 -10.492 1.00 75.14 C ATOM 757 C PRO A 49 8.451 5.488 -9.225 1.00 3.41 C ATOM 758 O PRO A 49 7.732 6.490 -9.283 1.00 10.24 O ATOM 759 CB PRO A 49 10.585 5.007 -10.475 1.00 3.15 C ATOM 760 CG PRO A 49 10.842 6.297 -11.178 1.00 43.21 C ATOM 761 CD PRO A 49 9.792 6.393 -12.257 1.00 2.43 C ATOM 0 HA PRO A 49 8.691 3.837 -10.479 1.00 75.14 H new ATOM 0 HB2 PRO A 49 10.971 5.026 -9.456 1.00 3.15 H new ATOM 0 HB3 PRO A 49 11.069 4.173 -10.984 1.00 3.15 H new ATOM 0 HG2 PRO A 49 10.773 7.139 -10.489 1.00 43.21 H new ATOM 0 HG3 PRO A 49 11.845 6.317 -11.605 1.00 43.21 H new ATOM 0 HD2 PRO A 49 9.474 7.423 -12.416 1.00 2.43 H new ATOM 0 HD3 PRO A 49 10.165 6.024 -13.212 1.00 2.43 H new ATOM 769 N ILE A 50 8.745 4.880 -8.078 1.00 42.35 N ATOM 770 CA ILE A 50 8.294 5.397 -6.786 1.00 1.13 C ATOM 771 C ILE A 50 9.489 5.849 -5.931 1.00 62.11 C ATOM 772 O ILE A 50 10.475 5.120 -5.779 1.00 35.23 O ATOM 773 CB ILE A 50 7.436 4.366 -5.989 1.00 30.42 C ATOM 774 CG1 ILE A 50 8.168 3.014 -5.805 1.00 71.13 C ATOM 775 CG2 ILE A 50 6.082 4.158 -6.671 1.00 73.20 C ATOM 776 CD1 ILE A 50 8.055 2.062 -6.985 1.00 15.54 C ATOM 0 H ILE A 50 9.296 4.024 -8.016 1.00 42.35 H new ATOM 0 HA ILE A 50 7.657 6.254 -7.005 1.00 1.13 H new ATOM 0 HB ILE A 50 7.272 4.780 -4.994 1.00 30.42 H new ATOM 0 HG12 ILE A 50 9.223 3.211 -5.615 1.00 71.13 H new ATOM 0 HG13 ILE A 50 7.771 2.520 -4.918 1.00 71.13 H new ATOM 0 HG21 ILE A 50 5.495 3.436 -6.103 1.00 73.20 H new ATOM 0 HG22 ILE A 50 5.547 5.107 -6.714 1.00 73.20 H new ATOM 0 HG23 ILE A 50 6.238 3.783 -7.683 1.00 73.20 H new ATOM 0 HD11 ILE A 50 8.598 1.143 -6.765 1.00 15.54 H new ATOM 0 HD12 ILE A 50 7.006 1.829 -7.165 1.00 15.54 H new ATOM 0 HD13 ILE A 50 8.480 2.531 -7.873 1.00 15.54 H new ATOM 788 N VAL A 51 9.408 7.068 -5.404 1.00 64.32 N ATOM 789 CA VAL A 51 10.459 7.616 -4.542 1.00 62.14 C ATOM 790 C VAL A 51 10.216 7.212 -3.083 1.00 32.24 C ATOM 791 O VAL A 51 9.112 7.382 -2.561 1.00 61.04 O ATOM 792 CB VAL A 51 10.522 9.163 -4.648 1.00 2.50 C ATOM 793 CG1 VAL A 51 11.639 9.729 -3.771 1.00 33.32 C ATOM 794 CG2 VAL A 51 10.705 9.595 -6.105 1.00 3.20 C ATOM 0 H VAL A 51 8.622 7.700 -5.558 1.00 64.32 H new ATOM 0 HA VAL A 51 11.411 7.206 -4.879 1.00 62.14 H new ATOM 0 HB VAL A 51 9.576 9.565 -4.286 1.00 2.50 H new ATOM 0 HG11 VAL A 51 11.660 10.815 -3.865 1.00 33.32 H new ATOM 0 HG12 VAL A 51 11.458 9.458 -2.731 1.00 33.32 H new ATOM 0 HG13 VAL A 51 12.597 9.318 -4.091 1.00 33.32 H new ATOM 0 HG21 VAL A 51 10.747 10.683 -6.159 1.00 3.20 H new ATOM 0 HG22 VAL A 51 11.633 9.176 -6.495 1.00 3.20 H new ATOM 0 HG23 VAL A 51 9.866 9.234 -6.700 1.00 3.20 H new ATOM 804 N CYS A 52 11.244 6.686 -2.424 1.00 20.33 N ATOM 805 CA CYS A 52 11.101 6.173 -1.058 1.00 10.02 C ATOM 806 C CYS A 52 12.289 6.560 -0.167 1.00 14.14 C ATOM 807 O CYS A 52 13.241 7.199 -0.613 1.00 41.44 O ATOM 808 CB CYS A 52 10.958 4.646 -1.086 1.00 63.54 C ATOM 809 SG CYS A 52 12.390 3.778 -1.775 1.00 30.05 S ATOM 0 H CYS A 52 12.185 6.602 -2.809 1.00 20.33 H new ATOM 0 HA CYS A 52 10.205 6.626 -0.633 1.00 10.02 H new ATOM 0 HB2 CYS A 52 10.786 4.290 -0.070 1.00 63.54 H new ATOM 0 HB3 CYS A 52 10.075 4.386 -1.669 1.00 63.54 H new ATOM 0 HG CYS A 52 12.936 4.509 -2.702 1.00 30.05 H new ATOM 815 N LYS A 53 12.206 6.175 1.104 1.00 41.15 N ATOM 816 CA LYS A 53 13.274 6.406 2.083 1.00 51.00 C ATOM 817 C LYS A 53 13.522 5.139 2.915 1.00 43.30 C ATOM 818 O LYS A 53 12.682 4.753 3.734 1.00 64.03 O ATOM 819 CB LYS A 53 12.890 7.566 3.018 1.00 4.25 C ATOM 820 CG LYS A 53 12.803 8.926 2.331 1.00 62.14 C ATOM 821 CD LYS A 53 11.917 9.897 3.112 1.00 71.21 C ATOM 822 CE LYS A 53 12.416 10.127 4.534 1.00 55.55 C ATOM 823 NZ LYS A 53 11.440 10.916 5.332 1.00 63.21 N ATOM 0 H LYS A 53 11.394 5.692 1.489 1.00 41.15 H new ATOM 0 HA LYS A 53 14.186 6.661 1.544 1.00 51.00 H new ATOM 0 HB2 LYS A 53 11.927 7.343 3.478 1.00 4.25 H new ATOM 0 HB3 LYS A 53 13.622 7.625 3.823 1.00 4.25 H new ATOM 0 HG2 LYS A 53 13.803 9.347 2.229 1.00 62.14 H new ATOM 0 HG3 LYS A 53 12.406 8.800 1.324 1.00 62.14 H new ATOM 0 HD2 LYS A 53 11.877 10.851 2.586 1.00 71.21 H new ATOM 0 HD3 LYS A 53 10.899 9.508 3.146 1.00 71.21 H new ATOM 0 HE2 LYS A 53 12.592 9.167 5.019 1.00 55.55 H new ATOM 0 HE3 LYS A 53 13.372 10.650 4.505 1.00 55.55 H new ATOM 0 HZ1 LYS A 53 11.882 11.214 6.225 1.00 63.21 H new ATOM 0 HZ2 LYS A 53 11.149 11.756 4.792 1.00 63.21 H new ATOM 0 HZ3 LYS A 53 10.605 10.330 5.537 1.00 63.21 H new ATOM 837 N ILE A 54 14.661 4.486 2.701 1.00 31.21 N ATOM 838 CA ILE A 54 15.015 3.292 3.473 1.00 44.33 C ATOM 839 C ILE A 54 15.830 3.668 4.717 1.00 60.04 C ATOM 840 O ILE A 54 17.061 3.781 4.666 1.00 63.32 O ATOM 841 CB ILE A 54 15.797 2.254 2.621 1.00 42.31 C ATOM 842 CG1 ILE A 54 14.946 1.802 1.423 1.00 12.11 C ATOM 843 CG2 ILE A 54 16.211 1.052 3.476 1.00 3.24 C ATOM 844 CD1 ILE A 54 15.613 0.753 0.555 1.00 32.24 C ATOM 0 H ILE A 54 15.353 4.759 2.004 1.00 31.21 H new ATOM 0 HA ILE A 54 14.079 2.829 3.785 1.00 44.33 H new ATOM 0 HB ILE A 54 16.704 2.727 2.244 1.00 42.31 H new ATOM 0 HG12 ILE A 54 14.000 1.406 1.791 1.00 12.11 H new ATOM 0 HG13 ILE A 54 14.711 2.671 0.809 1.00 12.11 H new ATOM 0 HG21 ILE A 54 16.757 0.338 2.860 1.00 3.24 H new ATOM 0 HG22 ILE A 54 16.849 1.389 4.293 1.00 3.24 H new ATOM 0 HG23 ILE A 54 15.321 0.573 3.885 1.00 3.24 H new ATOM 0 HD11 ILE A 54 14.950 0.487 -0.268 1.00 32.24 H new ATOM 0 HD12 ILE A 54 16.546 1.151 0.155 1.00 32.24 H new ATOM 0 HD13 ILE A 54 15.824 -0.134 1.153 1.00 32.24 H new ATOM 856 N GLY A 55 15.126 3.893 5.824 1.00 31.12 N ATOM 857 CA GLY A 55 15.768 4.229 7.088 1.00 71.02 C ATOM 858 C GLY A 55 16.609 5.507 7.042 1.00 42.55 C ATOM 859 O GLY A 55 16.140 6.587 7.403 1.00 34.20 O ATOM 0 H GLY A 55 14.108 3.848 5.869 1.00 31.12 H new ATOM 0 HA2 GLY A 55 15.001 4.339 7.855 1.00 71.02 H new ATOM 0 HA3 GLY A 55 16.405 3.398 7.392 1.00 71.02 H new ATOM 863 N ASN A 56 17.851 5.380 6.576 1.00 30.41 N ATOM 864 CA ASN A 56 18.830 6.472 6.637 1.00 45.15 C ATOM 865 C ASN A 56 18.801 7.390 5.401 1.00 53.32 C ATOM 866 O ASN A 56 19.059 8.591 5.513 1.00 13.01 O ATOM 867 CB ASN A 56 20.236 5.890 6.812 1.00 15.55 C ATOM 868 CG ASN A 56 20.371 5.097 8.097 1.00 3.42 C ATOM 869 OD1 ASN A 56 20.732 5.634 9.139 1.00 44.20 O ATOM 870 ND2 ASN A 56 20.088 3.811 8.040 1.00 5.24 N ATOM 0 H ASN A 56 18.208 4.526 6.148 1.00 30.41 H new ATOM 0 HA ASN A 56 18.558 7.090 7.492 1.00 45.15 H new ATOM 0 HB2 ASN A 56 20.469 5.247 5.964 1.00 15.55 H new ATOM 0 HB3 ASN A 56 20.966 6.700 6.808 1.00 15.55 H new ATOM 0 HD21 ASN A 56 20.167 3.234 8.877 1.00 5.24 H new ATOM 0 HD22 ASN A 56 19.790 3.393 7.159 1.00 5.24 H new ATOM 877 N ARG A 57 18.490 6.843 4.225 1.00 52.23 N ATOM 878 CA ARG A 57 18.609 7.620 2.978 1.00 61.11 C ATOM 879 C ARG A 57 17.500 7.309 1.957 1.00 52.42 C ATOM 880 O ARG A 57 16.793 6.304 2.065 1.00 1.15 O ATOM 881 CB ARG A 57 19.998 7.392 2.355 1.00 3.22 C ATOM 882 CG ARG A 57 20.346 5.924 2.121 1.00 2.03 C ATOM 883 CD ARG A 57 21.815 5.746 1.745 1.00 3.35 C ATOM 884 NE ARG A 57 22.165 4.341 1.525 1.00 33.35 N ATOM 885 CZ ARG A 57 23.256 3.772 1.966 1.00 64.04 C ATOM 886 NH1 ARG A 57 24.080 4.425 2.723 1.00 23.33 N ATOM 887 NH2 ARG A 57 23.510 2.539 1.662 1.00 60.43 N ATOM 0 H ARG A 57 18.160 5.886 4.104 1.00 52.23 H new ATOM 0 HA ARG A 57 18.488 8.670 3.244 1.00 61.11 H new ATOM 0 HB2 ARG A 57 20.048 7.922 1.404 1.00 3.22 H new ATOM 0 HB3 ARG A 57 20.753 7.833 3.006 1.00 3.22 H new ATOM 0 HG2 ARG A 57 20.129 5.350 3.022 1.00 2.03 H new ATOM 0 HG3 ARG A 57 19.716 5.522 1.327 1.00 2.03 H new ATOM 0 HD2 ARG A 57 22.029 6.317 0.842 1.00 3.35 H new ATOM 0 HD3 ARG A 57 22.443 6.155 2.537 1.00 3.35 H new ATOM 0 HE ARG A 57 21.513 3.767 0.991 1.00 33.35 H new ATOM 0 HH11 ARG A 57 23.880 5.392 2.980 1.00 23.33 H new ATOM 0 HH12 ARG A 57 24.929 3.972 3.062 1.00 23.33 H new ATOM 0 HH21 ARG A 57 22.859 2.013 1.079 1.00 60.43 H new ATOM 0 HH22 ARG A 57 24.361 2.094 2.006 1.00 60.43 H new ATOM 901 N ASN A 58 17.368 8.191 0.961 1.00 75.55 N ATOM 902 CA ASN A 58 16.321 8.079 -0.064 1.00 3.01 C ATOM 903 C ASN A 58 16.696 7.073 -1.168 1.00 0.32 C ATOM 904 O ASN A 58 17.865 6.932 -1.529 1.00 13.34 O ATOM 905 CB ASN A 58 16.053 9.449 -0.699 1.00 10.04 C ATOM 906 CG ASN A 58 15.524 10.471 0.293 1.00 12.25 C ATOM 907 OD1 ASN A 58 15.813 10.416 1.485 1.00 0.51 O ATOM 908 ND2 ASN A 58 14.754 11.424 -0.193 1.00 73.21 N ATOM 0 H ASN A 58 17.979 8.999 0.841 1.00 75.55 H new ATOM 0 HA ASN A 58 15.422 7.715 0.434 1.00 3.01 H new ATOM 0 HB2 ASN A 58 16.976 9.825 -1.142 1.00 10.04 H new ATOM 0 HB3 ASN A 58 15.334 9.333 -1.510 1.00 10.04 H new ATOM 0 HD21 ASN A 58 14.380 12.143 0.426 1.00 73.21 H new ATOM 0 HD22 ASN A 58 14.532 11.442 -1.188 1.00 73.21 H new ATOM 915 N ILE A 59 15.686 6.394 -1.710 1.00 0.11 N ATOM 916 CA ILE A 59 15.880 5.390 -2.764 1.00 50.14 C ATOM 917 C ILE A 59 14.814 5.525 -3.872 1.00 21.22 C ATOM 918 O ILE A 59 13.624 5.665 -3.586 1.00 50.22 O ATOM 919 CB ILE A 59 15.821 3.953 -2.174 1.00 1.13 C ATOM 920 CG1 ILE A 59 16.974 3.715 -1.179 1.00 74.33 C ATOM 921 CG2 ILE A 59 15.842 2.903 -3.284 1.00 14.13 C ATOM 922 CD1 ILE A 59 18.356 3.818 -1.797 1.00 23.44 C ATOM 0 H ILE A 59 14.712 6.521 -1.435 1.00 0.11 H new ATOM 0 HA ILE A 59 16.864 5.565 -3.198 1.00 50.14 H new ATOM 0 HB ILE A 59 14.880 3.856 -1.632 1.00 1.13 H new ATOM 0 HG12 ILE A 59 16.895 4.439 -0.368 1.00 74.33 H new ATOM 0 HG13 ILE A 59 16.859 2.726 -0.735 1.00 74.33 H new ATOM 0 HG21 ILE A 59 15.800 1.907 -2.843 1.00 14.13 H new ATOM 0 HG22 ILE A 59 14.982 3.047 -3.938 1.00 14.13 H new ATOM 0 HG23 ILE A 59 16.759 3.005 -3.864 1.00 14.13 H new ATOM 0 HD11 ILE A 59 19.111 3.638 -1.032 1.00 23.44 H new ATOM 0 HD12 ILE A 59 18.457 3.075 -2.588 1.00 23.44 H new ATOM 0 HD13 ILE A 59 18.494 4.815 -2.215 1.00 23.44 H new ATOM 934 N THR A 60 15.245 5.484 -5.134 1.00 30.25 N ATOM 935 CA THR A 60 14.317 5.521 -6.279 1.00 35.33 C ATOM 936 C THR A 60 14.239 4.147 -6.958 1.00 4.30 C ATOM 937 O THR A 60 15.211 3.678 -7.557 1.00 61.24 O ATOM 938 CB THR A 60 14.727 6.585 -7.329 1.00 2.25 C ATOM 939 OG1 THR A 60 14.805 7.882 -6.716 1.00 43.53 O ATOM 940 CG2 THR A 60 13.729 6.633 -8.484 1.00 71.42 C ATOM 0 H THR A 60 16.229 5.425 -5.395 1.00 30.25 H new ATOM 0 HA THR A 60 13.339 5.792 -5.881 1.00 35.33 H new ATOM 0 HB THR A 60 15.704 6.305 -7.722 1.00 2.25 H new ATOM 0 HG1 THR A 60 15.066 8.546 -7.388 1.00 43.53 H new ATOM 0 HG21 THR A 60 14.043 7.388 -9.205 1.00 71.42 H new ATOM 0 HG22 THR A 60 13.691 5.659 -8.972 1.00 71.42 H new ATOM 0 HG23 THR A 60 12.741 6.886 -8.100 1.00 71.42 H new ATOM 948 N LEU A 61 13.075 3.511 -6.883 1.00 2.21 N ATOM 949 CA LEU A 61 12.920 2.119 -7.324 1.00 71.41 C ATOM 950 C LEU A 61 11.838 2.002 -8.425 1.00 73.25 C ATOM 951 O LEU A 61 10.823 2.700 -8.381 1.00 21.32 O ATOM 952 CB LEU A 61 12.563 1.268 -6.085 1.00 40.13 C ATOM 953 CG LEU A 61 12.996 -0.210 -6.108 1.00 63.14 C ATOM 954 CD1 LEU A 61 12.138 -1.023 -7.058 1.00 63.55 C ATOM 955 CD2 LEU A 61 14.473 -0.336 -6.478 1.00 24.42 C ATOM 0 H LEU A 61 12.220 3.934 -6.521 1.00 2.21 H new ATOM 0 HA LEU A 61 13.849 1.757 -7.765 1.00 71.41 H new ATOM 0 HB2 LEU A 61 13.010 1.739 -5.209 1.00 40.13 H new ATOM 0 HB3 LEU A 61 11.482 1.303 -5.949 1.00 40.13 H new ATOM 0 HG LEU A 61 12.855 -0.611 -5.104 1.00 63.14 H new ATOM 0 HD11 LEU A 61 12.470 -2.061 -7.050 1.00 63.55 H new ATOM 0 HD12 LEU A 61 11.096 -0.973 -6.741 1.00 63.55 H new ATOM 0 HD13 LEU A 61 12.230 -0.620 -8.067 1.00 63.55 H new ATOM 0 HD21 LEU A 61 14.757 -1.388 -6.488 1.00 24.42 H new ATOM 0 HD22 LEU A 61 14.639 0.094 -7.466 1.00 24.42 H new ATOM 0 HD23 LEU A 61 15.079 0.196 -5.744 1.00 24.42 H new ATOM 967 N ARG A 62 12.064 1.128 -9.420 1.00 74.42 N ATOM 968 CA ARG A 62 11.108 0.953 -10.530 1.00 60.44 C ATOM 969 C ARG A 62 9.942 0.017 -10.155 1.00 3.11 C ATOM 970 O ARG A 62 10.015 -0.741 -9.191 1.00 63.42 O ATOM 971 CB ARG A 62 11.805 0.386 -11.780 1.00 22.24 C ATOM 972 CG ARG A 62 12.911 1.263 -12.364 1.00 40.41 C ATOM 973 CD ARG A 62 12.423 2.667 -12.718 1.00 53.53 C ATOM 974 NE ARG A 62 11.191 2.661 -13.513 1.00 1.24 N ATOM 975 CZ ARG A 62 10.868 3.597 -14.370 1.00 54.41 C ATOM 976 NH1 ARG A 62 11.707 4.538 -14.665 1.00 11.34 N ATOM 977 NH2 ARG A 62 9.708 3.583 -14.944 1.00 51.34 N ATOM 0 H ARG A 62 12.892 0.536 -9.480 1.00 74.42 H new ATOM 0 HA ARG A 62 10.709 1.945 -10.743 1.00 60.44 H new ATOM 0 HB2 ARG A 62 12.229 -0.587 -11.530 1.00 22.24 H new ATOM 0 HB3 ARG A 62 11.053 0.217 -12.550 1.00 22.24 H new ATOM 0 HG2 ARG A 62 13.728 1.337 -11.646 1.00 40.41 H new ATOM 0 HG3 ARG A 62 13.314 0.786 -13.258 1.00 40.41 H new ATOM 0 HD2 ARG A 62 12.254 3.229 -11.800 1.00 53.53 H new ATOM 0 HD3 ARG A 62 13.204 3.188 -13.272 1.00 53.53 H new ATOM 0 HE ARG A 62 10.546 1.880 -13.391 1.00 1.24 H new ATOM 0 HH11 ARG A 62 12.629 4.555 -14.229 1.00 11.34 H new ATOM 0 HH12 ARG A 62 11.446 5.263 -15.334 1.00 11.34 H new ATOM 0 HH21 ARG A 62 9.042 2.841 -14.729 1.00 51.34 H new ATOM 0 HH22 ARG A 62 9.460 4.314 -15.611 1.00 51.34 H new ATOM 991 N LYS A 63 8.880 0.058 -10.960 1.00 21.11 N ATOM 992 CA LYS A 63 7.711 -0.820 -10.782 1.00 13.12 C ATOM 993 C LYS A 63 8.091 -2.304 -10.921 1.00 61.51 C ATOM 994 O LYS A 63 7.888 -3.098 -10.001 1.00 63.32 O ATOM 995 CB LYS A 63 6.637 -0.462 -11.821 1.00 71.25 C ATOM 996 CG LYS A 63 5.474 -1.448 -11.905 1.00 54.45 C ATOM 997 CD LYS A 63 4.552 -1.136 -13.084 1.00 31.53 C ATOM 998 CE LYS A 63 5.304 -1.141 -14.414 1.00 51.23 C ATOM 999 NZ LYS A 63 4.399 -0.929 -15.577 1.00 25.44 N ATOM 0 H LYS A 63 8.801 0.696 -11.752 1.00 21.11 H new ATOM 0 HA LYS A 63 7.323 -0.666 -9.775 1.00 13.12 H new ATOM 0 HB2 LYS A 63 6.241 0.526 -11.588 1.00 71.25 H new ATOM 0 HB3 LYS A 63 7.108 -0.393 -12.801 1.00 71.25 H new ATOM 0 HG2 LYS A 63 5.863 -2.461 -12.005 1.00 54.45 H new ATOM 0 HG3 LYS A 63 4.902 -1.416 -10.978 1.00 54.45 H new ATOM 0 HD2 LYS A 63 3.747 -1.870 -13.119 1.00 31.53 H new ATOM 0 HD3 LYS A 63 4.088 -0.161 -12.933 1.00 31.53 H new ATOM 0 HE2 LYS A 63 6.064 -0.360 -14.401 1.00 51.23 H new ATOM 0 HE3 LYS A 63 5.825 -2.091 -14.531 1.00 51.23 H new ATOM 0 HZ1 LYS A 63 4.955 -0.940 -16.456 1.00 25.44 H new ATOM 0 HZ2 LYS A 63 3.688 -1.688 -15.607 1.00 25.44 H new ATOM 0 HZ3 LYS A 63 3.921 -0.010 -15.482 1.00 25.44 H new ATOM 1013 N ARG A 64 8.651 -2.666 -12.079 1.00 72.31 N ATOM 1014 CA ARG A 64 9.010 -4.063 -12.371 1.00 24.31 C ATOM 1015 C ARG A 64 9.951 -4.655 -11.307 1.00 1.13 C ATOM 1016 O ARG A 64 9.947 -5.862 -11.062 1.00 5.12 O ATOM 1017 CB ARG A 64 9.669 -4.174 -13.753 1.00 62.40 C ATOM 1018 CG ARG A 64 10.966 -3.371 -13.892 1.00 73.23 C ATOM 1019 CD ARG A 64 11.917 -4.003 -14.905 1.00 41.51 C ATOM 1020 NE ARG A 64 12.242 -5.378 -14.533 1.00 0.11 N ATOM 1021 CZ ARG A 64 13.451 -5.849 -14.404 1.00 33.31 C ATOM 1022 NH1 ARG A 64 14.483 -5.110 -14.656 1.00 71.12 N ATOM 1023 NH2 ARG A 64 13.621 -7.069 -14.018 1.00 31.35 N ATOM 0 H ARG A 64 8.867 -2.013 -12.832 1.00 72.31 H new ATOM 0 HA ARG A 64 8.083 -4.636 -12.359 1.00 24.31 H new ATOM 0 HB2 ARG A 64 9.880 -5.223 -13.960 1.00 62.40 H new ATOM 0 HB3 ARG A 64 8.961 -3.835 -14.510 1.00 62.40 H new ATOM 0 HG2 ARG A 64 10.732 -2.352 -14.200 1.00 73.23 H new ATOM 0 HG3 ARG A 64 11.459 -3.306 -12.922 1.00 73.23 H new ATOM 0 HD2 ARG A 64 11.461 -3.989 -15.895 1.00 41.51 H new ATOM 0 HD3 ARG A 64 12.832 -3.414 -14.967 1.00 41.51 H new ATOM 0 HE ARG A 64 11.466 -6.017 -14.361 1.00 0.11 H new ATOM 0 HH11 ARG A 64 14.357 -4.145 -14.960 1.00 71.12 H new ATOM 0 HH12 ARG A 64 15.422 -5.493 -14.550 1.00 71.12 H new ATOM 0 HH21 ARG A 64 12.813 -7.657 -13.816 1.00 31.35 H new ATOM 0 HH22 ARG A 64 14.564 -7.445 -13.915 1.00 31.35 H new ATOM 1037 N GLU A 65 10.768 -3.804 -10.696 1.00 61.25 N ATOM 1038 CA GLU A 65 11.679 -4.239 -9.635 1.00 24.22 C ATOM 1039 C GLU A 65 10.925 -4.384 -8.302 1.00 14.03 C ATOM 1040 O GLU A 65 11.061 -5.386 -7.602 1.00 25.13 O ATOM 1041 CB GLU A 65 12.827 -3.230 -9.474 1.00 1.22 C ATOM 1042 CG GLU A 65 13.598 -2.933 -10.758 1.00 54.20 C ATOM 1043 CD GLU A 65 14.698 -1.895 -10.547 1.00 55.44 C ATOM 1044 OE1 GLU A 65 14.376 -0.753 -10.143 1.00 62.44 O ATOM 1045 OE2 GLU A 65 15.882 -2.212 -10.792 1.00 63.40 O ATOM 0 H GLU A 65 10.821 -2.809 -10.915 1.00 61.25 H new ATOM 0 HA GLU A 65 12.091 -5.209 -9.914 1.00 24.22 H new ATOM 0 HB2 GLU A 65 12.420 -2.296 -9.086 1.00 1.22 H new ATOM 0 HB3 GLU A 65 13.524 -3.609 -8.727 1.00 1.22 H new ATOM 0 HG2 GLU A 65 14.040 -3.855 -11.136 1.00 54.20 H new ATOM 0 HG3 GLU A 65 12.906 -2.576 -11.520 1.00 54.20 H new ATOM 1052 N ALA A 66 10.108 -3.378 -7.975 1.00 65.14 N ATOM 1053 CA ALA A 66 9.365 -3.344 -6.708 1.00 50.34 C ATOM 1054 C ALA A 66 8.402 -4.534 -6.559 1.00 24.15 C ATOM 1055 O ALA A 66 8.138 -4.995 -5.445 1.00 11.41 O ATOM 1056 CB ALA A 66 8.607 -2.026 -6.588 1.00 72.10 C ATOM 0 H ALA A 66 9.943 -2.570 -8.575 1.00 65.14 H new ATOM 0 HA ALA A 66 10.092 -3.423 -5.900 1.00 50.34 H new ATOM 0 HB1 ALA A 66 8.058 -2.006 -5.647 1.00 72.10 H new ATOM 0 HB2 ALA A 66 9.313 -1.196 -6.613 1.00 72.10 H new ATOM 0 HB3 ALA A 66 7.907 -1.932 -7.418 1.00 72.10 H new ATOM 1062 N ASP A 67 7.877 -5.030 -7.680 1.00 14.23 N ATOM 1063 CA ASP A 67 6.994 -6.206 -7.675 1.00 53.01 C ATOM 1064 C ASP A 67 7.704 -7.456 -7.111 1.00 64.10 C ATOM 1065 O ASP A 67 7.060 -8.444 -6.755 1.00 62.02 O ATOM 1066 CB ASP A 67 6.484 -6.477 -9.099 1.00 11.44 C ATOM 1067 CG ASP A 67 5.607 -7.722 -9.192 1.00 75.52 C ATOM 1068 OD1 ASP A 67 4.418 -7.654 -8.809 1.00 41.14 O ATOM 1069 OD2 ASP A 67 6.099 -8.773 -9.655 1.00 72.31 O ATOM 0 H ASP A 67 8.046 -4.638 -8.606 1.00 14.23 H new ATOM 0 HA ASP A 67 6.150 -5.990 -7.020 1.00 53.01 H new ATOM 0 HB2 ASP A 67 5.917 -5.613 -9.446 1.00 11.44 H new ATOM 0 HB3 ASP A 67 7.336 -6.589 -9.769 1.00 11.44 H new ATOM 1074 N LEU A 68 9.029 -7.406 -7.014 1.00 65.20 N ATOM 1075 CA LEU A 68 9.811 -8.555 -6.551 1.00 13.35 C ATOM 1076 C LEU A 68 10.169 -8.467 -5.050 1.00 53.31 C ATOM 1077 O LEU A 68 10.757 -9.397 -4.492 1.00 45.44 O ATOM 1078 CB LEU A 68 11.080 -8.683 -7.403 1.00 15.12 C ATOM 1079 CG LEU A 68 10.833 -8.788 -8.922 1.00 31.21 C ATOM 1080 CD1 LEU A 68 12.151 -8.851 -9.689 1.00 42.02 C ATOM 1081 CD2 LEU A 68 9.957 -9.999 -9.248 1.00 14.41 C ATOM 0 H LEU A 68 9.586 -6.585 -7.249 1.00 65.20 H new ATOM 0 HA LEU A 68 9.194 -9.446 -6.668 1.00 13.35 H new ATOM 0 HB2 LEU A 68 11.717 -7.820 -7.212 1.00 15.12 H new ATOM 0 HB3 LEU A 68 11.632 -9.565 -7.077 1.00 15.12 H new ATOM 0 HG LEU A 68 10.303 -7.889 -9.238 1.00 31.21 H new ATOM 0 HD11 LEU A 68 11.947 -8.925 -10.757 1.00 42.02 H new ATOM 0 HD12 LEU A 68 12.730 -7.949 -9.491 1.00 42.02 H new ATOM 0 HD13 LEU A 68 12.718 -9.724 -9.367 1.00 42.02 H new ATOM 0 HD21 LEU A 68 9.796 -10.053 -10.325 1.00 14.41 H new ATOM 0 HD22 LEU A 68 10.453 -10.909 -8.909 1.00 14.41 H new ATOM 0 HD23 LEU A 68 8.996 -9.900 -8.742 1.00 14.41 H new ATOM 1093 N ILE A 69 9.807 -7.360 -4.393 1.00 51.23 N ATOM 1094 CA ILE A 69 10.082 -7.190 -2.954 1.00 33.42 C ATOM 1095 C ILE A 69 8.779 -7.169 -2.128 1.00 24.00 C ATOM 1096 O ILE A 69 8.031 -6.187 -2.147 1.00 61.23 O ATOM 1097 CB ILE A 69 10.890 -5.892 -2.650 1.00 33.24 C ATOM 1098 CG1 ILE A 69 12.287 -5.925 -3.302 1.00 44.35 C ATOM 1099 CG2 ILE A 69 11.022 -5.679 -1.139 1.00 50.52 C ATOM 1100 CD1 ILE A 69 12.289 -5.697 -4.801 1.00 1.34 C ATOM 0 H ILE A 69 9.326 -6.572 -4.827 1.00 51.23 H new ATOM 0 HA ILE A 69 10.685 -8.051 -2.665 1.00 33.42 H new ATOM 0 HB ILE A 69 10.337 -5.057 -3.080 1.00 33.24 H new ATOM 0 HG12 ILE A 69 12.911 -5.166 -2.831 1.00 44.35 H new ATOM 0 HG13 ILE A 69 12.748 -6.891 -3.094 1.00 44.35 H new ATOM 0 HG21 ILE A 69 11.589 -4.768 -0.948 1.00 50.52 H new ATOM 0 HG22 ILE A 69 10.030 -5.588 -0.696 1.00 50.52 H new ATOM 0 HG23 ILE A 69 11.541 -6.529 -0.696 1.00 50.52 H new ATOM 0 HD11 ILE A 69 13.312 -5.737 -5.174 1.00 1.34 H new ATOM 0 HD12 ILE A 69 11.695 -6.471 -5.288 1.00 1.34 H new ATOM 0 HD13 ILE A 69 11.861 -4.719 -5.021 1.00 1.34 H new ATOM 1112 N GLU A 70 8.516 -8.262 -1.413 1.00 3.21 N ATOM 1113 CA GLU A 70 7.348 -8.367 -0.523 1.00 2.22 C ATOM 1114 C GLU A 70 7.593 -7.597 0.790 1.00 1.11 C ATOM 1115 O GLU A 70 8.650 -7.738 1.416 1.00 24.13 O ATOM 1116 CB GLU A 70 7.063 -9.854 -0.240 1.00 51.31 C ATOM 1117 CG GLU A 70 5.980 -10.132 0.806 1.00 31.41 C ATOM 1118 CD GLU A 70 4.571 -9.734 0.375 1.00 43.10 C ATOM 1119 OE1 GLU A 70 4.249 -9.830 -0.831 1.00 42.21 O ATOM 1120 OE2 GLU A 70 3.769 -9.340 1.250 1.00 65.31 O ATOM 0 H GLU A 70 9.100 -9.098 -1.430 1.00 3.21 H new ATOM 0 HA GLU A 70 6.481 -7.921 -1.010 1.00 2.22 H new ATOM 0 HB2 GLU A 70 6.772 -10.334 -1.174 1.00 51.31 H new ATOM 0 HB3 GLU A 70 7.989 -10.327 0.087 1.00 51.31 H new ATOM 0 HG2 GLU A 70 5.987 -11.195 1.045 1.00 31.41 H new ATOM 0 HG3 GLU A 70 6.231 -9.598 1.722 1.00 31.41 H new ATOM 1127 N VAL A 71 6.619 -6.780 1.201 1.00 64.41 N ATOM 1128 CA VAL A 71 6.763 -5.937 2.399 1.00 44.30 C ATOM 1129 C VAL A 71 5.552 -6.058 3.343 1.00 4.20 C ATOM 1130 O VAL A 71 4.537 -6.666 3.001 1.00 34.42 O ATOM 1131 CB VAL A 71 6.955 -4.441 2.021 1.00 12.21 C ATOM 1132 CG1 VAL A 71 8.223 -4.243 1.192 1.00 54.01 C ATOM 1133 CG2 VAL A 71 5.730 -3.899 1.278 1.00 4.33 C ATOM 0 H VAL A 71 5.722 -6.682 0.725 1.00 64.41 H new ATOM 0 HA VAL A 71 7.651 -6.300 2.917 1.00 44.30 H new ATOM 0 HB VAL A 71 7.065 -3.876 2.947 1.00 12.21 H new ATOM 0 HG11 VAL A 71 8.333 -3.188 0.941 1.00 54.01 H new ATOM 0 HG12 VAL A 71 9.089 -4.571 1.767 1.00 54.01 H new ATOM 0 HG13 VAL A 71 8.153 -4.828 0.275 1.00 54.01 H new ATOM 0 HG21 VAL A 71 5.892 -2.851 1.026 1.00 4.33 H new ATOM 0 HG22 VAL A 71 5.576 -4.472 0.364 1.00 4.33 H new ATOM 0 HG23 VAL A 71 4.850 -3.987 1.915 1.00 4.33 H new ATOM 1143 N GLU A 72 5.673 -5.480 4.539 1.00 13.21 N ATOM 1144 CA GLU A 72 4.558 -5.429 5.501 1.00 10.20 C ATOM 1145 C GLU A 72 4.390 -4.010 6.065 1.00 5.10 C ATOM 1146 O GLU A 72 5.373 -3.298 6.280 1.00 5.10 O ATOM 1147 CB GLU A 72 4.782 -6.428 6.647 1.00 35.45 C ATOM 1148 CG GLU A 72 5.974 -6.099 7.545 1.00 60.41 C ATOM 1149 CD GLU A 72 6.258 -7.173 8.590 1.00 1.20 C ATOM 1150 OE1 GLU A 72 5.463 -8.129 8.709 1.00 22.02 O ATOM 1151 OE2 GLU A 72 7.294 -7.078 9.275 1.00 62.42 O ATOM 0 H GLU A 72 6.531 -5.039 4.870 1.00 13.21 H new ATOM 0 HA GLU A 72 3.646 -5.704 4.972 1.00 10.20 H new ATOM 0 HB2 GLU A 72 3.881 -6.468 7.259 1.00 35.45 H new ATOM 0 HB3 GLU A 72 4.925 -7.422 6.224 1.00 35.45 H new ATOM 0 HG2 GLU A 72 6.860 -5.962 6.925 1.00 60.41 H new ATOM 0 HG3 GLU A 72 5.789 -5.151 8.050 1.00 60.41 H new ATOM 1158 N VAL A 73 3.145 -3.600 6.302 1.00 24.10 N ATOM 1159 CA VAL A 73 2.854 -2.248 6.797 1.00 34.52 C ATOM 1160 C VAL A 73 3.090 -2.137 8.313 1.00 73.12 C ATOM 1161 O VAL A 73 2.305 -2.642 9.119 1.00 33.00 O ATOM 1162 CB VAL A 73 1.397 -1.826 6.471 1.00 60.41 C ATOM 1163 CG1 VAL A 73 1.113 -0.407 6.969 1.00 11.14 C ATOM 1164 CG2 VAL A 73 1.128 -1.939 4.971 1.00 24.03 C ATOM 0 H VAL A 73 2.319 -4.182 6.160 1.00 24.10 H new ATOM 0 HA VAL A 73 3.541 -1.574 6.285 1.00 34.52 H new ATOM 0 HB VAL A 73 0.722 -2.505 6.992 1.00 60.41 H new ATOM 0 HG11 VAL A 73 0.085 -0.136 6.728 1.00 11.14 H new ATOM 0 HG12 VAL A 73 1.256 -0.365 8.049 1.00 11.14 H new ATOM 0 HG13 VAL A 73 1.796 0.292 6.485 1.00 11.14 H new ATOM 0 HG21 VAL A 73 0.101 -1.639 4.762 1.00 24.03 H new ATOM 0 HG22 VAL A 73 1.814 -1.288 4.428 1.00 24.03 H new ATOM 0 HG23 VAL A 73 1.277 -2.970 4.651 1.00 24.03 H new ATOM 1174 N VAL A 74 4.172 -1.459 8.693 1.00 71.24 N ATOM 1175 CA VAL A 74 4.515 -1.259 10.108 1.00 64.23 C ATOM 1176 C VAL A 74 3.434 -0.447 10.842 1.00 3.03 C ATOM 1177 O VAL A 74 3.260 -0.576 12.055 1.00 73.21 O ATOM 1178 CB VAL A 74 5.883 -0.540 10.253 1.00 12.20 C ATOM 1179 CG1 VAL A 74 6.264 -0.354 11.724 1.00 11.10 C ATOM 1180 CG2 VAL A 74 6.974 -1.305 9.506 1.00 23.44 C ATOM 0 H VAL A 74 4.832 -1.036 8.040 1.00 71.24 H new ATOM 0 HA VAL A 74 4.578 -2.248 10.562 1.00 64.23 H new ATOM 0 HB VAL A 74 5.787 0.450 9.808 1.00 12.20 H new ATOM 0 HG11 VAL A 74 7.227 0.152 11.789 1.00 11.10 H new ATOM 0 HG12 VAL A 74 5.504 0.246 12.224 1.00 11.10 H new ATOM 0 HG13 VAL A 74 6.333 -1.328 12.208 1.00 11.10 H new ATOM 0 HG21 VAL A 74 7.925 -0.785 9.619 1.00 23.44 H new ATOM 0 HG22 VAL A 74 7.059 -2.311 9.916 1.00 23.44 H new ATOM 0 HG23 VAL A 74 6.717 -1.365 8.448 1.00 23.44 H new ATOM 1190 N GLY A 75 2.702 0.379 10.090 1.00 40.13 N ATOM 1191 CA GLY A 75 1.646 1.206 10.672 1.00 42.05 C ATOM 1192 C GLY A 75 0.545 0.409 11.374 1.00 4.04 C ATOM 1193 O GLY A 75 -0.191 0.954 12.201 1.00 3.33 O ATOM 0 H GLY A 75 2.821 0.492 9.083 1.00 40.13 H new ATOM 0 HA2 GLY A 75 2.093 1.896 11.388 1.00 42.05 H new ATOM 0 HA3 GLY A 75 1.196 1.810 9.884 1.00 42.05 H new ATOM 1197 N GLY A 76 0.435 -0.879 11.061 1.00 44.14 N ATOM 1198 CA GLY A 76 -0.598 -1.720 11.659 1.00 71.33 C ATOM 1199 C GLY A 76 -1.717 -2.044 10.678 1.00 40.10 C ATOM 1200 O GLY A 76 -1.914 -3.202 10.305 1.00 11.42 O ATOM 0 H GLY A 76 1.045 -1.361 10.401 1.00 44.14 H new ATOM 0 HA2 GLY A 76 -0.148 -2.648 12.014 1.00 71.33 H new ATOM 0 HA3 GLY A 76 -1.016 -1.215 12.530 1.00 71.33 H new ATOM 1204 N GLU A 77 -2.454 -1.017 10.260 1.00 14.44 N ATOM 1205 CA GLU A 77 -3.483 -1.178 9.230 1.00 53.00 C ATOM 1206 C GLU A 77 -2.988 -0.647 7.875 1.00 35.41 C ATOM 1207 O GLU A 77 -1.933 -0.016 7.786 1.00 64.15 O ATOM 1208 CB GLU A 77 -4.791 -0.470 9.626 1.00 22.21 C ATOM 1209 CG GLU A 77 -4.725 1.057 9.646 1.00 72.45 C ATOM 1210 CD GLU A 77 -3.896 1.618 10.790 1.00 64.30 C ATOM 1211 OE1 GLU A 77 -4.087 1.176 11.941 1.00 31.53 O ATOM 1212 OE2 GLU A 77 -3.077 2.530 10.551 1.00 44.25 O ATOM 0 H GLU A 77 -2.360 -0.066 10.616 1.00 14.44 H new ATOM 0 HA GLU A 77 -3.687 -2.245 9.138 1.00 53.00 H new ATOM 0 HB2 GLU A 77 -5.575 -0.775 8.932 1.00 22.21 H new ATOM 0 HB3 GLU A 77 -5.088 -0.818 10.615 1.00 22.21 H new ATOM 0 HG2 GLU A 77 -4.308 1.406 8.701 1.00 72.45 H new ATOM 0 HG3 GLU A 77 -5.738 1.455 9.714 1.00 72.45 H new ATOM 1219 N LEU A 78 -3.761 -0.897 6.824 1.00 33.02 N ATOM 1220 CA LEU A 78 -3.375 -0.504 5.466 1.00 54.13 C ATOM 1221 C LEU A 78 -4.609 -0.164 4.617 1.00 3.15 C ATOM 1222 O LEU A 78 -5.657 -0.792 4.758 1.00 54.12 O ATOM 1223 CB LEU A 78 -2.554 -1.622 4.788 1.00 42.31 C ATOM 1224 CG LEU A 78 -3.276 -2.972 4.552 1.00 3.10 C ATOM 1225 CD1 LEU A 78 -2.409 -3.901 3.703 1.00 53.24 C ATOM 1226 CD2 LEU A 78 -3.634 -3.655 5.872 1.00 72.24 C ATOM 0 H LEU A 78 -4.662 -1.371 6.883 1.00 33.02 H new ATOM 0 HA LEU A 78 -2.755 0.389 5.542 1.00 54.13 H new ATOM 0 HB2 LEU A 78 -2.204 -1.251 3.825 1.00 42.31 H new ATOM 0 HB3 LEU A 78 -1.670 -1.811 5.397 1.00 42.31 H new ATOM 0 HG LEU A 78 -4.202 -2.760 4.018 1.00 3.10 H new ATOM 0 HD11 LEU A 78 -2.932 -4.845 3.547 1.00 53.24 H new ATOM 0 HD12 LEU A 78 -2.210 -3.433 2.739 1.00 53.24 H new ATOM 0 HD13 LEU A 78 -1.466 -4.089 4.217 1.00 53.24 H new ATOM 0 HD21 LEU A 78 -4.139 -4.599 5.668 1.00 72.24 H new ATOM 0 HD22 LEU A 78 -2.724 -3.846 6.441 1.00 72.24 H new ATOM 0 HD23 LEU A 78 -4.294 -3.008 6.449 1.00 72.24 H new ATOM 1238 N PRO A 79 -4.513 0.846 3.725 1.00 15.50 N ATOM 1239 CA PRO A 79 -5.627 1.222 2.840 1.00 1.53 C ATOM 1240 C PRO A 79 -6.088 0.062 1.938 1.00 31.23 C ATOM 1241 O PRO A 79 -5.313 -0.841 1.618 1.00 44.43 O ATOM 1242 CB PRO A 79 -5.056 2.377 1.998 1.00 1.31 C ATOM 1243 CG PRO A 79 -3.575 2.269 2.145 1.00 63.34 C ATOM 1244 CD PRO A 79 -3.335 1.702 3.516 1.00 22.00 C ATOM 0 HA PRO A 79 -6.515 1.499 3.409 1.00 1.53 H new ATOM 0 HB2 PRO A 79 -5.356 2.290 0.954 1.00 1.31 H new ATOM 0 HB3 PRO A 79 -5.418 3.341 2.354 1.00 1.31 H new ATOM 0 HG2 PRO A 79 -3.153 1.622 1.376 1.00 63.34 H new ATOM 0 HG3 PRO A 79 -3.100 3.244 2.037 1.00 63.34 H new ATOM 0 HD2 PRO A 79 -2.407 1.132 3.561 1.00 22.00 H new ATOM 0 HD3 PRO A 79 -3.265 2.485 4.271 1.00 22.00 H new ATOM 1252 N LEU A 80 -7.347 0.117 1.509 1.00 13.02 N ATOM 1253 CA LEU A 80 -7.979 -0.970 0.751 1.00 53.23 C ATOM 1254 C LEU A 80 -7.162 -1.342 -0.505 1.00 23.21 C ATOM 1255 O LEU A 80 -7.092 -2.508 -0.883 1.00 51.50 O ATOM 1256 CB LEU A 80 -9.424 -0.551 0.391 1.00 45.31 C ATOM 1257 CG LEU A 80 -10.378 -1.663 -0.098 1.00 53.13 C ATOM 1258 CD1 LEU A 80 -10.101 -2.035 -1.548 1.00 44.34 C ATOM 1259 CD2 LEU A 80 -10.289 -2.893 0.806 1.00 51.32 C ATOM 0 H LEU A 80 -7.961 0.914 1.675 1.00 13.02 H new ATOM 0 HA LEU A 80 -8.009 -1.868 1.369 1.00 53.23 H new ATOM 0 HB2 LEU A 80 -9.870 -0.085 1.270 1.00 45.31 H new ATOM 0 HB3 LEU A 80 -9.371 0.214 -0.383 1.00 45.31 H new ATOM 0 HG LEU A 80 -11.395 -1.273 -0.045 1.00 53.13 H new ATOM 0 HD11 LEU A 80 -10.790 -2.820 -1.860 1.00 44.34 H new ATOM 0 HD12 LEU A 80 -10.239 -1.159 -2.181 1.00 44.34 H new ATOM 0 HD13 LEU A 80 -9.076 -2.393 -1.642 1.00 44.34 H new ATOM 0 HD21 LEU A 80 -10.970 -3.662 0.442 1.00 51.32 H new ATOM 0 HD22 LEU A 80 -9.269 -3.277 0.798 1.00 51.32 H new ATOM 0 HD23 LEU A 80 -10.565 -2.617 1.824 1.00 51.32 H new ATOM 1271 N ILE A 81 -6.527 -0.353 -1.131 1.00 74.54 N ATOM 1272 CA ILE A 81 -5.704 -0.604 -2.324 1.00 13.24 C ATOM 1273 C ILE A 81 -4.472 -1.481 -2.004 1.00 12.50 C ATOM 1274 O ILE A 81 -3.943 -2.178 -2.873 1.00 22.32 O ATOM 1275 CB ILE A 81 -5.237 0.720 -2.977 1.00 21.14 C ATOM 1276 CG1 ILE A 81 -4.540 0.441 -4.321 1.00 34.33 C ATOM 1277 CG2 ILE A 81 -4.310 1.493 -2.035 1.00 44.14 C ATOM 1278 CD1 ILE A 81 -5.413 -0.290 -5.327 1.00 13.45 C ATOM 0 H ILE A 81 -6.562 0.624 -0.839 1.00 74.54 H new ATOM 0 HA ILE A 81 -6.339 -1.144 -3.026 1.00 13.24 H new ATOM 0 HB ILE A 81 -6.115 1.337 -3.167 1.00 21.14 H new ATOM 0 HG12 ILE A 81 -4.217 1.387 -4.755 1.00 34.33 H new ATOM 0 HG13 ILE A 81 -3.642 -0.149 -4.138 1.00 34.33 H new ATOM 0 HG21 ILE A 81 -3.994 2.420 -2.515 1.00 44.14 H new ATOM 0 HG22 ILE A 81 -4.841 1.725 -1.112 1.00 44.14 H new ATOM 0 HG23 ILE A 81 -3.434 0.886 -1.807 1.00 44.14 H new ATOM 0 HD11 ILE A 81 -4.852 -0.450 -6.248 1.00 13.45 H new ATOM 0 HD12 ILE A 81 -5.715 -1.253 -4.915 1.00 13.45 H new ATOM 0 HD13 ILE A 81 -6.299 0.307 -5.541 1.00 13.45 H new ATOM 1290 N LEU A 82 -4.015 -1.441 -0.751 1.00 43.22 N ATOM 1291 CA LEU A 82 -2.881 -2.268 -0.312 1.00 72.40 C ATOM 1292 C LEU A 82 -3.354 -3.634 0.204 1.00 34.51 C ATOM 1293 O LEU A 82 -2.542 -4.528 0.447 1.00 12.12 O ATOM 1294 CB LEU A 82 -2.080 -1.552 0.789 1.00 34.50 C ATOM 1295 CG LEU A 82 -1.447 -0.211 0.388 1.00 73.24 C ATOM 1296 CD1 LEU A 82 -0.586 0.337 1.524 1.00 41.42 C ATOM 1297 CD2 LEU A 82 -0.627 -0.356 -0.890 1.00 54.34 C ATOM 0 H LEU A 82 -4.409 -0.847 -0.021 1.00 43.22 H new ATOM 0 HA LEU A 82 -2.239 -2.427 -1.178 1.00 72.40 H new ATOM 0 HB2 LEU A 82 -2.740 -1.381 1.640 1.00 34.50 H new ATOM 0 HB3 LEU A 82 -1.288 -2.219 1.129 1.00 34.50 H new ATOM 0 HG LEU A 82 -2.251 0.499 0.193 1.00 73.24 H new ATOM 0 HD11 LEU A 82 -0.146 1.287 1.221 1.00 41.42 H new ATOM 0 HD12 LEU A 82 -1.204 0.489 2.409 1.00 41.42 H new ATOM 0 HD13 LEU A 82 0.208 -0.373 1.754 1.00 41.42 H new ATOM 0 HD21 LEU A 82 -0.189 0.607 -1.153 1.00 54.34 H new ATOM 0 HD22 LEU A 82 0.168 -1.085 -0.732 1.00 54.34 H new ATOM 0 HD23 LEU A 82 -1.273 -0.694 -1.700 1.00 54.34 H new ATOM 1309 N ALA A 83 -4.669 -3.786 0.358 1.00 41.34 N ATOM 1310 CA ALA A 83 -5.255 -5.005 0.923 1.00 32.15 C ATOM 1311 C ALA A 83 -4.917 -6.254 0.091 1.00 44.42 C ATOM 1312 O ALA A 83 -5.590 -6.570 -0.888 1.00 13.41 O ATOM 1313 CB ALA A 83 -6.764 -4.852 1.069 1.00 22.13 C ATOM 0 H ALA A 83 -5.354 -3.076 0.098 1.00 41.34 H new ATOM 0 HA ALA A 83 -4.814 -5.148 1.910 1.00 32.15 H new ATOM 0 HB1 ALA A 83 -7.183 -5.766 1.490 1.00 22.13 H new ATOM 0 HB2 ALA A 83 -6.982 -4.014 1.731 1.00 22.13 H new ATOM 0 HB3 ALA A 83 -7.207 -4.666 0.091 1.00 22.13 H new ATOM 1319 N ASP A 84 -3.850 -6.943 0.489 1.00 71.32 N ATOM 1320 CA ASP A 84 -3.440 -8.200 -0.145 1.00 2.34 C ATOM 1321 C ASP A 84 -4.567 -9.254 -0.044 1.00 53.44 C ATOM 1322 O ASP A 84 -5.204 -9.378 1.004 1.00 53.43 O ATOM 1323 CB ASP A 84 -2.155 -8.696 0.532 1.00 10.15 C ATOM 1324 CG ASP A 84 -1.476 -9.812 -0.234 1.00 70.21 C ATOM 1325 OD1 ASP A 84 -0.705 -9.506 -1.178 1.00 31.31 O ATOM 1326 OD2 ASP A 84 -1.699 -10.989 0.111 1.00 72.11 O ATOM 0 H ASP A 84 -3.246 -6.650 1.257 1.00 71.32 H new ATOM 0 HA ASP A 84 -3.247 -8.033 -1.205 1.00 2.34 H new ATOM 0 HB2 ASP A 84 -1.462 -7.862 0.639 1.00 10.15 H new ATOM 0 HB3 ASP A 84 -2.392 -9.044 1.537 1.00 10.15 H new ATOM 1331 N ASP A 85 -4.784 -10.010 -1.128 1.00 22.11 N ATOM 1332 CA ASP A 85 -5.929 -10.941 -1.263 1.00 50.11 C ATOM 1333 C ASP A 85 -6.299 -11.647 0.067 1.00 40.54 C ATOM 1334 O ASP A 85 -5.505 -12.410 0.626 1.00 22.23 O ATOM 1335 CB ASP A 85 -5.604 -11.977 -2.352 1.00 34.20 C ATOM 1336 CG ASP A 85 -6.802 -12.829 -2.747 1.00 60.22 C ATOM 1337 OD1 ASP A 85 -7.608 -12.376 -3.583 1.00 24.15 O ATOM 1338 OD2 ASP A 85 -6.925 -13.968 -2.246 1.00 2.45 O ATOM 0 H ASP A 85 -4.172 -9.998 -1.944 1.00 22.11 H new ATOM 0 HA ASP A 85 -6.803 -10.354 -1.545 1.00 50.11 H new ATOM 0 HB2 ASP A 85 -5.227 -11.460 -3.235 1.00 34.20 H new ATOM 0 HB3 ASP A 85 -4.805 -12.628 -1.998 1.00 34.20 H new ATOM 1343 N GLY A 86 -7.508 -11.367 0.568 1.00 25.02 N ATOM 1344 CA GLY A 86 -7.959 -11.936 1.841 1.00 42.02 C ATOM 1345 C GLY A 86 -9.120 -11.164 2.483 1.00 13.54 C ATOM 1346 O GLY A 86 -9.763 -10.333 1.838 1.00 51.12 O ATOM 0 H GLY A 86 -8.186 -10.755 0.115 1.00 25.02 H new ATOM 0 HA2 GLY A 86 -8.266 -12.969 1.679 1.00 42.02 H new ATOM 0 HA3 GLY A 86 -7.120 -11.959 2.537 1.00 42.02 H new ATOM 1350 N THR A 87 -9.393 -11.440 3.764 1.00 63.21 N ATOM 1351 CA THR A 87 -10.497 -10.782 4.496 1.00 12.41 C ATOM 1352 C THR A 87 -9.979 -9.697 5.455 1.00 45.34 C ATOM 1353 O THR A 87 -9.072 -9.944 6.257 1.00 54.32 O ATOM 1354 CB THR A 87 -11.328 -11.805 5.314 1.00 52.42 C ATOM 1355 OG1 THR A 87 -11.782 -12.866 4.464 1.00 1.04 O ATOM 1356 CG2 THR A 87 -12.536 -11.139 5.973 1.00 74.52 C ATOM 0 H THR A 87 -8.868 -12.114 4.321 1.00 63.21 H new ATOM 0 HA THR A 87 -11.130 -10.321 3.738 1.00 12.41 H new ATOM 0 HB THR A 87 -10.681 -12.207 6.094 1.00 52.42 H new ATOM 0 HG1 THR A 87 -12.304 -13.507 4.991 1.00 1.04 H new ATOM 0 HG21 THR A 87 -13.098 -11.882 6.539 1.00 74.52 H new ATOM 0 HG22 THR A 87 -12.195 -10.352 6.646 1.00 74.52 H new ATOM 0 HG23 THR A 87 -13.177 -10.707 5.205 1.00 74.52 H new ATOM 1364 N TYR A 88 -10.573 -8.503 5.382 1.00 11.42 N ATOM 1365 CA TYR A 88 -10.150 -7.358 6.208 1.00 43.14 C ATOM 1366 C TYR A 88 -11.326 -6.715 6.969 1.00 43.24 C ATOM 1367 O TYR A 88 -12.487 -7.085 6.784 1.00 73.44 O ATOM 1368 CB TYR A 88 -9.484 -6.293 5.324 1.00 3.53 C ATOM 1369 CG TYR A 88 -8.159 -6.721 4.727 1.00 61.21 C ATOM 1370 CD1 TYR A 88 -8.108 -7.603 3.655 1.00 11.43 C ATOM 1371 CD2 TYR A 88 -6.959 -6.245 5.241 1.00 22.13 C ATOM 1372 CE1 TYR A 88 -6.903 -8.002 3.118 1.00 4.22 C ATOM 1373 CE2 TYR A 88 -5.750 -6.636 4.706 1.00 4.20 C ATOM 1374 CZ TYR A 88 -5.728 -7.514 3.646 1.00 52.31 C ATOM 1375 OH TYR A 88 -4.524 -7.921 3.120 1.00 14.03 O ATOM 0 H TYR A 88 -11.353 -8.299 4.757 1.00 11.42 H new ATOM 0 HA TYR A 88 -9.443 -7.741 6.944 1.00 43.14 H new ATOM 0 HB2 TYR A 88 -10.166 -6.030 4.515 1.00 3.53 H new ATOM 0 HB3 TYR A 88 -9.329 -5.391 5.916 1.00 3.53 H new ATOM 0 HD1 TYR A 88 -9.028 -7.982 3.235 1.00 11.43 H new ATOM 0 HD2 TYR A 88 -6.974 -5.557 6.074 1.00 22.13 H new ATOM 0 HE1 TYR A 88 -6.880 -8.693 2.288 1.00 4.22 H new ATOM 0 HE2 TYR A 88 -4.826 -6.256 5.116 1.00 4.20 H new ATOM 0 HH TYR A 88 -4.683 -8.459 2.316 1.00 14.03 H new ATOM 1385 N GLU A 89 -10.996 -5.749 7.829 1.00 23.11 N ATOM 1386 CA GLU A 89 -11.998 -4.935 8.540 1.00 3.34 C ATOM 1387 C GLU A 89 -11.627 -3.442 8.482 1.00 1.14 C ATOM 1388 O GLU A 89 -10.476 -3.073 8.715 1.00 43.02 O ATOM 1389 CB GLU A 89 -12.119 -5.378 10.009 1.00 43.21 C ATOM 1390 CG GLU A 89 -13.082 -4.524 10.832 1.00 70.31 C ATOM 1391 CD GLU A 89 -13.190 -4.981 12.280 1.00 32.13 C ATOM 1392 OE1 GLU A 89 -14.043 -5.846 12.572 1.00 2.42 O ATOM 1393 OE2 GLU A 89 -12.426 -4.478 13.134 1.00 33.24 O ATOM 0 H GLU A 89 -10.032 -5.506 8.055 1.00 23.11 H new ATOM 0 HA GLU A 89 -12.958 -5.083 8.045 1.00 3.34 H new ATOM 0 HB2 GLU A 89 -12.451 -6.416 10.040 1.00 43.21 H new ATOM 0 HB3 GLU A 89 -11.132 -5.345 10.471 1.00 43.21 H new ATOM 0 HG2 GLU A 89 -12.750 -3.486 10.808 1.00 70.31 H new ATOM 0 HG3 GLU A 89 -14.070 -4.554 10.372 1.00 70.31 H new ATOM 1400 N ILE A 90 -12.602 -2.587 8.173 1.00 52.01 N ATOM 1401 CA ILE A 90 -12.355 -1.140 8.062 1.00 24.25 C ATOM 1402 C ILE A 90 -12.230 -0.461 9.442 1.00 30.10 C ATOM 1403 O ILE A 90 -13.049 -0.683 10.340 1.00 1.42 O ATOM 1404 CB ILE A 90 -13.469 -0.439 7.241 1.00 10.12 C ATOM 1405 CG1 ILE A 90 -13.180 1.066 7.118 1.00 75.53 C ATOM 1406 CG2 ILE A 90 -14.845 -0.681 7.863 1.00 55.40 C ATOM 1407 CD1 ILE A 90 -14.197 1.815 6.284 1.00 51.50 C ATOM 0 H ILE A 90 -13.567 -2.864 7.995 1.00 52.01 H new ATOM 0 HA ILE A 90 -11.403 -1.032 7.541 1.00 24.25 H new ATOM 0 HB ILE A 90 -13.476 -0.870 6.240 1.00 10.12 H new ATOM 0 HG12 ILE A 90 -13.149 1.504 8.116 1.00 75.53 H new ATOM 0 HG13 ILE A 90 -12.192 1.202 6.679 1.00 75.53 H new ATOM 0 HG21 ILE A 90 -15.607 -0.178 7.267 1.00 55.40 H new ATOM 0 HG22 ILE A 90 -15.050 -1.751 7.887 1.00 55.40 H new ATOM 0 HG23 ILE A 90 -14.860 -0.286 8.879 1.00 55.40 H new ATOM 0 HD11 ILE A 90 -13.927 2.870 6.242 1.00 51.50 H new ATOM 0 HD12 ILE A 90 -14.213 1.404 5.274 1.00 51.50 H new ATOM 0 HD13 ILE A 90 -15.184 1.710 6.734 1.00 51.50 H new ATOM 1419 N THR A 91 -11.203 0.385 9.594 1.00 31.44 N ATOM 1420 CA THR A 91 -10.930 1.068 10.872 1.00 54.50 C ATOM 1421 C THR A 91 -11.072 2.600 10.777 1.00 24.41 C ATOM 1422 O THR A 91 -11.619 3.229 11.685 1.00 34.11 O ATOM 1423 CB THR A 91 -9.512 0.721 11.405 1.00 42.41 C ATOM 1424 OG1 THR A 91 -9.192 1.505 12.568 1.00 52.32 O ATOM 1425 CG2 THR A 91 -8.446 0.948 10.339 1.00 3.22 C ATOM 0 H THR A 91 -10.545 0.615 8.849 1.00 31.44 H new ATOM 0 HA THR A 91 -11.685 0.703 11.568 1.00 54.50 H new ATOM 0 HB THR A 91 -9.523 -0.335 11.674 1.00 42.41 H new ATOM 0 HG1 THR A 91 -8.296 1.268 12.886 1.00 52.32 H new ATOM 0 HG21 THR A 91 -7.466 0.696 10.745 1.00 3.22 H new ATOM 0 HG22 THR A 91 -8.655 0.316 9.475 1.00 3.22 H new ATOM 0 HG23 THR A 91 -8.454 1.994 10.034 1.00 3.22 H new ATOM 1433 N LYS A 92 -10.590 3.202 9.686 1.00 2.50 N ATOM 1434 CA LYS A 92 -10.610 4.670 9.545 1.00 13.13 C ATOM 1435 C LYS A 92 -10.705 5.116 8.072 1.00 41.40 C ATOM 1436 O LYS A 92 -10.254 4.413 7.165 1.00 0.34 O ATOM 1437 CB LYS A 92 -9.360 5.276 10.210 1.00 21.34 C ATOM 1438 CG LYS A 92 -8.042 4.756 9.643 1.00 11.40 C ATOM 1439 CD LYS A 92 -6.833 5.235 10.447 1.00 24.04 C ATOM 1440 CE LYS A 92 -5.534 4.651 9.899 1.00 32.40 C ATOM 1441 NZ LYS A 92 -4.361 4.963 10.758 1.00 62.24 N ATOM 0 H LYS A 92 -10.184 2.706 8.892 1.00 2.50 H new ATOM 0 HA LYS A 92 -11.505 5.037 10.047 1.00 13.13 H new ATOM 0 HB2 LYS A 92 -9.390 6.360 10.097 1.00 21.34 H new ATOM 0 HB3 LYS A 92 -9.392 5.066 11.279 1.00 21.34 H new ATOM 0 HG2 LYS A 92 -8.059 3.666 9.632 1.00 11.40 H new ATOM 0 HG3 LYS A 92 -7.940 5.084 8.608 1.00 11.40 H new ATOM 0 HD2 LYS A 92 -6.784 6.324 10.420 1.00 24.04 H new ATOM 0 HD3 LYS A 92 -6.951 4.947 11.492 1.00 24.04 H new ATOM 0 HE2 LYS A 92 -5.636 3.570 9.808 1.00 32.40 H new ATOM 0 HE3 LYS A 92 -5.359 5.040 8.896 1.00 32.40 H new ATOM 0 HZ1 LYS A 92 -3.715 4.148 10.773 1.00 62.24 H new ATOM 0 HZ2 LYS A 92 -3.863 5.793 10.377 1.00 62.24 H new ATOM 0 HZ3 LYS A 92 -4.684 5.167 11.725 1.00 62.24 H new ATOM 1455 N LEU A 93 -11.304 6.290 7.849 1.00 3.11 N ATOM 1456 CA LEU A 93 -11.506 6.836 6.494 1.00 3.54 C ATOM 1457 C LEU A 93 -10.668 8.101 6.250 1.00 73.22 C ATOM 1458 O LEU A 93 -10.449 8.904 7.157 1.00 51.32 O ATOM 1459 CB LEU A 93 -12.990 7.178 6.257 1.00 3.44 C ATOM 1460 CG LEU A 93 -13.951 5.990 6.082 1.00 34.22 C ATOM 1461 CD1 LEU A 93 -13.513 5.105 4.921 1.00 35.30 C ATOM 1462 CD2 LEU A 93 -14.073 5.188 7.373 1.00 15.13 C ATOM 0 H LEU A 93 -11.662 6.888 8.594 1.00 3.11 H new ATOM 0 HA LEU A 93 -11.184 6.061 5.798 1.00 3.54 H new ATOM 0 HB2 LEU A 93 -13.340 7.778 7.097 1.00 3.44 H new ATOM 0 HB3 LEU A 93 -13.057 7.805 5.368 1.00 3.44 H new ATOM 0 HG LEU A 93 -14.939 6.387 5.846 1.00 34.22 H new ATOM 0 HD11 LEU A 93 -14.208 4.272 4.817 1.00 35.30 H new ATOM 0 HD12 LEU A 93 -13.506 5.689 4.001 1.00 35.30 H new ATOM 0 HD13 LEU A 93 -12.512 4.721 5.114 1.00 35.30 H new ATOM 0 HD21 LEU A 93 -14.759 4.354 7.220 1.00 15.13 H new ATOM 0 HD22 LEU A 93 -13.093 4.804 7.657 1.00 15.13 H new ATOM 0 HD23 LEU A 93 -14.455 5.831 8.166 1.00 15.13 H new ATOM 1474 N ASN A 94 -10.200 8.267 5.015 1.00 0.24 N ATOM 1475 CA ASN A 94 -9.499 9.487 4.586 1.00 11.41 C ATOM 1476 C ASN A 94 -10.289 10.202 3.473 1.00 15.41 C ATOM 1477 O ASN A 94 -11.169 9.612 2.847 1.00 42.41 O ATOM 1478 CB ASN A 94 -8.081 9.157 4.083 1.00 62.41 C ATOM 1479 CG ASN A 94 -7.077 8.870 5.194 1.00 42.40 C ATOM 1480 OD1 ASN A 94 -5.890 9.130 5.046 1.00 64.33 O ATOM 1481 ND2 ASN A 94 -7.522 8.322 6.306 1.00 24.21 N ATOM 0 H ASN A 94 -10.293 7.565 4.281 1.00 0.24 H new ATOM 0 HA ASN A 94 -9.421 10.148 5.449 1.00 11.41 H new ATOM 0 HB2 ASN A 94 -8.134 8.291 3.423 1.00 62.41 H new ATOM 0 HB3 ASN A 94 -7.716 9.992 3.485 1.00 62.41 H new ATOM 0 HD21 ASN A 94 -6.874 8.107 7.063 1.00 24.21 H new ATOM 0 HD22 ASN A 94 -8.515 8.113 6.410 1.00 24.21 H new ATOM 1488 N GLY A 95 -9.968 11.470 3.233 1.00 11.20 N ATOM 1489 CA GLY A 95 -10.619 12.229 2.165 1.00 53.33 C ATOM 1490 C GLY A 95 -11.617 13.273 2.666 1.00 3.10 C ATOM 1491 O GLY A 95 -11.839 13.415 3.871 1.00 51.42 O ATOM 0 H GLY A 95 -9.267 11.992 3.758 1.00 11.20 H new ATOM 0 HA2 GLY A 95 -9.855 12.728 1.569 1.00 53.33 H new ATOM 0 HA3 GLY A 95 -11.136 11.535 1.503 1.00 53.33 H new ATOM 1495 N GLY A 96 -12.212 14.017 1.730 1.00 2.43 N ATOM 1496 CA GLY A 96 -13.198 15.040 2.081 1.00 4.02 C ATOM 1497 C GLY A 96 -14.559 14.464 2.476 1.00 15.32 C ATOM 1498 O GLY A 96 -14.992 13.453 1.920 1.00 62.24 O ATOM 0 H GLY A 96 -12.029 13.931 0.730 1.00 2.43 H new ATOM 0 HA2 GLY A 96 -12.812 15.638 2.906 1.00 4.02 H new ATOM 0 HA3 GLY A 96 -13.329 15.713 1.234 1.00 4.02 H new ATOM 1502 N ARG A 97 -15.245 15.137 3.407 1.00 30.32 N ATOM 1503 CA ARG A 97 -16.516 14.651 3.991 1.00 55.53 C ATOM 1504 C ARG A 97 -17.520 14.087 2.962 1.00 13.24 C ATOM 1505 O ARG A 97 -18.136 13.051 3.213 1.00 51.51 O ATOM 1506 CB ARG A 97 -17.192 15.755 4.832 1.00 34.41 C ATOM 1507 CG ARG A 97 -17.689 16.976 4.048 1.00 71.23 C ATOM 1508 CD ARG A 97 -16.553 17.811 3.462 1.00 42.05 C ATOM 1509 NE ARG A 97 -15.556 18.177 4.465 1.00 31.12 N ATOM 1510 CZ ARG A 97 -14.762 19.209 4.378 1.00 1.44 C ATOM 1511 NH1 ARG A 97 -14.844 20.032 3.382 1.00 73.51 N ATOM 1512 NH2 ARG A 97 -13.881 19.418 5.297 1.00 21.24 N ATOM 0 H ARG A 97 -14.940 16.035 3.782 1.00 30.32 H new ATOM 0 HA ARG A 97 -16.232 13.813 4.628 1.00 55.53 H new ATOM 0 HB2 ARG A 97 -18.038 15.317 5.361 1.00 34.41 H new ATOM 0 HB3 ARG A 97 -16.485 16.095 5.588 1.00 34.41 H new ATOM 0 HG2 ARG A 97 -18.341 16.642 3.241 1.00 71.23 H new ATOM 0 HG3 ARG A 97 -18.291 17.603 4.706 1.00 71.23 H new ATOM 0 HD2 ARG A 97 -16.070 17.251 2.661 1.00 42.05 H new ATOM 0 HD3 ARG A 97 -16.964 18.716 3.015 1.00 42.05 H new ATOM 0 HE ARG A 97 -15.475 17.584 5.291 1.00 31.12 H new ATOM 0 HH11 ARG A 97 -15.537 19.879 2.650 1.00 73.51 H new ATOM 0 HH12 ARG A 97 -14.215 20.834 3.330 1.00 73.51 H new ATOM 0 HH21 ARG A 97 -13.807 18.778 6.088 1.00 21.24 H new ATOM 0 HH22 ARG A 97 -13.258 20.223 5.233 1.00 21.24 H new ATOM 1526 N ARG A 98 -17.691 14.749 1.813 1.00 62.42 N ATOM 1527 CA ARG A 98 -18.679 14.296 0.814 1.00 13.31 C ATOM 1528 C ARG A 98 -18.392 12.856 0.345 1.00 35.23 C ATOM 1529 O ARG A 98 -19.300 12.114 -0.039 1.00 14.32 O ATOM 1530 CB ARG A 98 -18.742 15.263 -0.388 1.00 1.30 C ATOM 1531 CG ARG A 98 -17.653 15.084 -1.453 1.00 15.21 C ATOM 1532 CD ARG A 98 -16.246 15.366 -0.930 1.00 62.42 C ATOM 1533 NE ARG A 98 -15.295 15.567 -2.024 1.00 24.14 N ATOM 1534 CZ ARG A 98 -14.069 15.118 -2.047 1.00 42.20 C ATOM 1535 NH1 ARG A 98 -13.620 14.344 -1.111 1.00 34.40 N ATOM 1536 NH2 ARG A 98 -13.300 15.422 -3.036 1.00 23.42 N ATOM 0 H ARG A 98 -17.171 15.586 1.549 1.00 62.42 H new ATOM 0 HA ARG A 98 -19.655 14.297 1.300 1.00 13.31 H new ATOM 0 HB2 ARG A 98 -19.714 15.151 -0.868 1.00 1.30 H new ATOM 0 HB3 ARG A 98 -18.689 16.284 -0.011 1.00 1.30 H new ATOM 0 HG2 ARG A 98 -17.693 14.064 -1.836 1.00 15.21 H new ATOM 0 HG3 ARG A 98 -17.862 15.748 -2.292 1.00 15.21 H new ATOM 0 HD2 ARG A 98 -16.264 16.252 -0.295 1.00 62.42 H new ATOM 0 HD3 ARG A 98 -15.915 14.535 -0.308 1.00 62.42 H new ATOM 0 HE ARG A 98 -15.615 16.100 -2.833 1.00 24.14 H new ATOM 0 HH11 ARG A 98 -14.227 14.074 -0.337 1.00 34.40 H new ATOM 0 HH12 ARG A 98 -12.659 14.004 -1.148 1.00 34.40 H new ATOM 0 HH21 ARG A 98 -13.651 16.009 -3.793 1.00 23.42 H new ATOM 0 HH22 ARG A 98 -12.341 15.075 -3.062 1.00 23.42 H new ATOM 1550 N PHE A 99 -17.120 12.470 0.398 1.00 32.04 N ATOM 1551 CA PHE A 99 -16.706 11.102 0.091 1.00 11.40 C ATOM 1552 C PHE A 99 -17.064 10.158 1.249 1.00 33.22 C ATOM 1553 O PHE A 99 -17.581 9.057 1.037 1.00 41.02 O ATOM 1554 CB PHE A 99 -15.195 11.060 -0.178 1.00 72.10 C ATOM 1555 CG PHE A 99 -14.634 9.664 -0.215 1.00 53.32 C ATOM 1556 CD1 PHE A 99 -14.962 8.800 -1.247 1.00 0.13 C ATOM 1557 CD2 PHE A 99 -13.796 9.208 0.793 1.00 11.43 C ATOM 1558 CE1 PHE A 99 -14.465 7.516 -1.274 1.00 62.22 C ATOM 1559 CE2 PHE A 99 -13.298 7.921 0.769 1.00 74.55 C ATOM 1560 CZ PHE A 99 -13.633 7.076 -0.267 1.00 31.32 C ATOM 0 H PHE A 99 -16.352 13.091 0.653 1.00 32.04 H new ATOM 0 HA PHE A 99 -17.236 10.769 -0.802 1.00 11.40 H new ATOM 0 HB2 PHE A 99 -14.989 11.552 -1.129 1.00 72.10 H new ATOM 0 HB3 PHE A 99 -14.680 11.631 0.595 1.00 72.10 H new ATOM 0 HD1 PHE A 99 -15.614 9.137 -2.039 1.00 0.13 H new ATOM 0 HD2 PHE A 99 -13.530 9.868 1.606 1.00 11.43 H new ATOM 0 HE1 PHE A 99 -14.727 6.853 -2.085 1.00 62.22 H new ATOM 0 HE2 PHE A 99 -12.648 7.577 1.560 1.00 74.55 H new ATOM 0 HZ PHE A 99 -13.244 6.069 -0.290 1.00 31.32 H new ATOM 1570 N LEU A 100 -16.789 10.604 2.476 1.00 70.45 N ATOM 1571 CA LEU A 100 -17.105 9.826 3.679 1.00 1.03 C ATOM 1572 C LEU A 100 -18.607 9.504 3.734 1.00 72.42 C ATOM 1573 O LEU A 100 -19.016 8.428 4.177 1.00 42.41 O ATOM 1574 CB LEU A 100 -16.675 10.602 4.935 1.00 71.40 C ATOM 1575 CG LEU A 100 -15.233 11.148 4.909 1.00 23.21 C ATOM 1576 CD1 LEU A 100 -14.887 11.833 6.229 1.00 40.23 C ATOM 1577 CD2 LEU A 100 -14.232 10.038 4.597 1.00 2.32 C ATOM 0 H LEU A 100 -16.346 11.503 2.665 1.00 70.45 H new ATOM 0 HA LEU A 100 -16.556 8.885 3.642 1.00 1.03 H new ATOM 0 HB2 LEU A 100 -17.360 11.438 5.078 1.00 71.40 H new ATOM 0 HB3 LEU A 100 -16.783 9.949 5.801 1.00 71.40 H new ATOM 0 HG LEU A 100 -15.171 11.891 4.114 1.00 23.21 H new ATOM 0 HD11 LEU A 100 -13.865 12.210 6.186 1.00 40.23 H new ATOM 0 HD12 LEU A 100 -15.573 12.663 6.399 1.00 40.23 H new ATOM 0 HD13 LEU A 100 -14.976 11.116 7.045 1.00 40.23 H new ATOM 0 HD21 LEU A 100 -13.223 10.451 4.585 1.00 2.32 H new ATOM 0 HD22 LEU A 100 -14.298 9.263 5.361 1.00 2.32 H new ATOM 0 HD23 LEU A 100 -14.459 9.607 3.622 1.00 2.32 H new ATOM 1589 N PHE A 101 -19.422 10.450 3.269 1.00 72.20 N ATOM 1590 CA PHE A 101 -20.864 10.232 3.120 1.00 24.42 C ATOM 1591 C PHE A 101 -21.145 9.081 2.136 1.00 33.45 C ATOM 1592 O PHE A 101 -21.926 8.173 2.431 1.00 42.54 O ATOM 1593 CB PHE A 101 -21.550 11.520 2.639 1.00 45.34 C ATOM 1594 CG PHE A 101 -23.036 11.370 2.420 1.00 5.11 C ATOM 1595 CD1 PHE A 101 -23.909 11.334 3.496 1.00 70.44 C ATOM 1596 CD2 PHE A 101 -23.557 11.259 1.137 1.00 34.41 C ATOM 1597 CE1 PHE A 101 -25.270 11.192 3.300 1.00 73.25 C ATOM 1598 CE2 PHE A 101 -24.915 11.117 0.936 1.00 25.04 C ATOM 1599 CZ PHE A 101 -25.772 11.082 2.017 1.00 10.13 C ATOM 0 H PHE A 101 -19.109 11.379 2.987 1.00 72.20 H new ATOM 0 HA PHE A 101 -21.270 9.958 4.094 1.00 24.42 H new ATOM 0 HB2 PHE A 101 -21.377 12.309 3.371 1.00 45.34 H new ATOM 0 HB3 PHE A 101 -21.085 11.843 1.707 1.00 45.34 H new ATOM 0 HD1 PHE A 101 -23.521 11.418 4.500 1.00 70.44 H new ATOM 0 HD2 PHE A 101 -22.891 11.284 0.287 1.00 34.41 H new ATOM 0 HE1 PHE A 101 -25.939 11.167 4.147 1.00 73.25 H new ATOM 0 HE2 PHE A 101 -25.307 11.033 -0.067 1.00 25.04 H new ATOM 0 HZ PHE A 101 -26.835 10.969 1.861 1.00 10.13 H new ATOM 1609 N ARG A 102 -20.500 9.124 0.968 1.00 42.13 N ATOM 1610 CA ARG A 102 -20.633 8.055 -0.037 1.00 45.11 C ATOM 1611 C ARG A 102 -20.309 6.671 0.555 1.00 12.14 C ATOM 1612 O ARG A 102 -21.002 5.692 0.274 1.00 31.53 O ATOM 1613 CB ARG A 102 -19.721 8.339 -1.242 1.00 50.35 C ATOM 1614 CG ARG A 102 -20.246 9.428 -2.174 1.00 63.14 C ATOM 1615 CD ARG A 102 -21.508 8.974 -2.906 1.00 43.35 C ATOM 1616 NE ARG A 102 -21.265 7.788 -3.733 1.00 54.25 N ATOM 1617 CZ ARG A 102 -22.141 6.838 -3.941 1.00 60.23 C ATOM 1618 NH1 ARG A 102 -23.337 6.919 -3.449 1.00 61.31 N ATOM 1619 NH2 ARG A 102 -21.825 5.808 -4.663 1.00 32.13 N ATOM 0 H ARG A 102 -19.880 9.885 0.691 1.00 42.13 H new ATOM 0 HA ARG A 102 -21.672 8.042 -0.366 1.00 45.11 H new ATOM 0 HB2 ARG A 102 -18.736 8.630 -0.878 1.00 50.35 H new ATOM 0 HB3 ARG A 102 -19.591 7.419 -1.812 1.00 50.35 H new ATOM 0 HG2 ARG A 102 -20.461 10.329 -1.599 1.00 63.14 H new ATOM 0 HG3 ARG A 102 -19.476 9.690 -2.900 1.00 63.14 H new ATOM 0 HD2 ARG A 102 -22.290 8.755 -2.179 1.00 43.35 H new ATOM 0 HD3 ARG A 102 -21.875 9.786 -3.534 1.00 43.35 H new ATOM 0 HE ARG A 102 -20.351 7.697 -4.176 1.00 54.25 H new ATOM 0 HH11 ARG A 102 -23.605 7.730 -2.892 1.00 61.31 H new ATOM 0 HH12 ARG A 102 -24.010 6.172 -3.619 1.00 61.31 H new ATOM 0 HH21 ARG A 102 -20.892 5.737 -5.070 1.00 32.13 H new ATOM 0 HH22 ARG A 102 -22.509 5.069 -4.824 1.00 32.13 H new ATOM 1633 N MET A 103 -19.277 6.606 1.391 1.00 65.40 N ATOM 1634 CA MET A 103 -18.857 5.345 2.019 1.00 32.22 C ATOM 1635 C MET A 103 -19.998 4.676 2.803 1.00 12.05 C ATOM 1636 O MET A 103 -20.226 3.468 2.676 1.00 11.04 O ATOM 1637 CB MET A 103 -17.652 5.590 2.937 1.00 22.13 C ATOM 1638 CG MET A 103 -16.376 5.994 2.204 1.00 50.22 C ATOM 1639 SD MET A 103 -15.713 4.683 1.147 1.00 75.11 S ATOM 1640 CE MET A 103 -16.598 4.927 -0.396 1.00 15.13 C ATOM 0 H MET A 103 -18.710 7.412 1.654 1.00 65.40 H new ATOM 0 HA MET A 103 -18.572 4.661 1.219 1.00 32.22 H new ATOM 0 HB2 MET A 103 -17.908 6.371 3.653 1.00 22.13 H new ATOM 0 HB3 MET A 103 -17.456 4.684 3.510 1.00 22.13 H new ATOM 0 HG2 MET A 103 -16.578 6.875 1.595 1.00 50.22 H new ATOM 0 HG3 MET A 103 -15.620 6.279 2.935 1.00 50.22 H new ATOM 0 HE1 MET A 103 -17.288 4.098 -0.555 1.00 15.13 H new ATOM 0 HE2 MET A 103 -17.157 5.862 -0.351 1.00 15.13 H new ATOM 0 HE3 MET A 103 -15.887 4.969 -1.221 1.00 15.13 H new ATOM 1650 N LYS A 104 -20.728 5.462 3.595 1.00 51.21 N ATOM 1651 CA LYS A 104 -21.860 4.936 4.368 1.00 33.43 C ATOM 1652 C LYS A 104 -22.952 4.350 3.458 1.00 70.12 C ATOM 1653 O LYS A 104 -23.660 3.423 3.847 1.00 15.45 O ATOM 1654 CB LYS A 104 -22.459 6.031 5.260 1.00 4.24 C ATOM 1655 CG LYS A 104 -21.532 6.476 6.384 1.00 12.34 C ATOM 1656 CD LYS A 104 -22.197 7.504 7.296 1.00 40.55 C ATOM 1657 CE LYS A 104 -21.294 7.882 8.463 1.00 31.30 C ATOM 1658 NZ LYS A 104 -20.995 6.716 9.340 1.00 53.54 N ATOM 0 H LYS A 104 -20.559 6.460 3.720 1.00 51.21 H new ATOM 0 HA LYS A 104 -21.476 4.131 4.994 1.00 33.43 H new ATOM 0 HB2 LYS A 104 -22.709 6.894 4.643 1.00 4.24 H new ATOM 0 HB3 LYS A 104 -23.391 5.667 5.692 1.00 4.24 H new ATOM 0 HG2 LYS A 104 -21.232 5.609 6.972 1.00 12.34 H new ATOM 0 HG3 LYS A 104 -20.623 6.902 5.958 1.00 12.34 H new ATOM 0 HD2 LYS A 104 -22.443 8.397 6.721 1.00 40.55 H new ATOM 0 HD3 LYS A 104 -23.136 7.101 7.677 1.00 40.55 H new ATOM 0 HE2 LYS A 104 -20.361 8.296 8.080 1.00 31.30 H new ATOM 0 HE3 LYS A 104 -21.772 8.665 9.052 1.00 31.30 H new ATOM 0 HZ1 LYS A 104 -21.258 6.943 10.320 1.00 53.54 H new ATOM 0 HZ2 LYS A 104 -21.539 5.890 9.018 1.00 53.54 H new ATOM 0 HZ3 LYS A 104 -19.979 6.500 9.295 1.00 53.54 H new ATOM 1672 N ASN A 105 -23.077 4.891 2.249 1.00 21.54 N ATOM 1673 CA ASN A 105 -24.066 4.397 1.282 1.00 52.10 C ATOM 1674 C ASN A 105 -23.663 3.024 0.714 1.00 33.52 C ATOM 1675 O ASN A 105 -24.523 2.209 0.373 1.00 23.24 O ATOM 1676 CB ASN A 105 -24.255 5.406 0.146 1.00 45.31 C ATOM 1677 CG ASN A 105 -24.916 6.689 0.619 1.00 1.11 C ATOM 1678 OD1 ASN A 105 -26.136 6.809 0.621 1.00 33.41 O ATOM 1679 ND2 ASN A 105 -24.127 7.660 1.027 1.00 74.13 N ATOM 0 H ASN A 105 -22.510 5.669 1.912 1.00 21.54 H new ATOM 0 HA ASN A 105 -25.012 4.276 1.809 1.00 52.10 H new ATOM 0 HB2 ASN A 105 -23.286 5.640 -0.294 1.00 45.31 H new ATOM 0 HB3 ASN A 105 -24.861 4.956 -0.640 1.00 45.31 H new ATOM 0 HD21 ASN A 105 -24.528 8.539 1.355 1.00 74.13 H new ATOM 0 HD22 ASN A 105 -23.115 7.534 1.015 1.00 74.13 H new ATOM 1686 N LEU A 106 -22.358 2.775 0.608 1.00 75.40 N ATOM 1687 CA LEU A 106 -21.854 1.471 0.149 1.00 55.25 C ATOM 1688 C LEU A 106 -21.827 0.446 1.297 1.00 50.22 C ATOM 1689 O LEU A 106 -22.032 -0.750 1.080 1.00 33.51 O ATOM 1690 CB LEU A 106 -20.448 1.610 -0.470 1.00 51.02 C ATOM 1691 CG LEU A 106 -20.388 2.188 -1.901 1.00 21.31 C ATOM 1692 CD1 LEU A 106 -21.172 1.310 -2.874 1.00 33.01 C ATOM 1693 CD2 LEU A 106 -20.898 3.627 -1.944 1.00 22.31 C ATOM 0 H LEU A 106 -21.629 3.453 0.832 1.00 75.40 H new ATOM 0 HA LEU A 106 -22.539 1.109 -0.618 1.00 55.25 H new ATOM 0 HB2 LEU A 106 -19.848 2.245 0.182 1.00 51.02 H new ATOM 0 HB3 LEU A 106 -19.978 0.627 -0.478 1.00 51.02 H new ATOM 0 HG LEU A 106 -19.343 2.196 -2.209 1.00 21.31 H new ATOM 0 HD11 LEU A 106 -21.116 1.737 -3.875 1.00 33.01 H new ATOM 0 HD12 LEU A 106 -20.746 0.307 -2.883 1.00 33.01 H new ATOM 0 HD13 LEU A 106 -22.214 1.259 -2.559 1.00 33.01 H new ATOM 0 HD21 LEU A 106 -20.842 4.003 -2.966 1.00 22.31 H new ATOM 0 HD22 LEU A 106 -21.933 3.657 -1.603 1.00 22.31 H new ATOM 0 HD23 LEU A 106 -20.284 4.250 -1.294 1.00 22.31 H new ATOM 1705 N GLY A 107 -21.583 0.916 2.521 1.00 32.22 N ATOM 1706 CA GLY A 107 -21.595 0.027 3.684 1.00 72.51 C ATOM 1707 C GLY A 107 -20.318 0.074 4.525 1.00 31.42 C ATOM 1708 O GLY A 107 -20.170 -0.696 5.475 1.00 1.32 O ATOM 0 H GLY A 107 -21.377 1.893 2.732 1.00 32.22 H new ATOM 0 HA2 GLY A 107 -22.443 0.288 4.317 1.00 72.51 H new ATOM 0 HA3 GLY A 107 -21.754 -0.996 3.343 1.00 72.51 H new ATOM 1712 N ILE A 108 -19.399 0.985 4.203 1.00 41.04 N ATOM 1713 CA ILE A 108 -18.141 1.101 4.954 1.00 75.55 C ATOM 1714 C ILE A 108 -18.077 2.415 5.755 1.00 70.22 C ATOM 1715 O ILE A 108 -18.542 3.461 5.306 1.00 33.31 O ATOM 1716 CB ILE A 108 -16.878 0.980 4.049 1.00 44.11 C ATOM 1717 CG1 ILE A 108 -16.906 1.987 2.882 1.00 33.40 C ATOM 1718 CG2 ILE A 108 -16.725 -0.451 3.531 1.00 14.14 C ATOM 1719 CD1 ILE A 108 -17.710 1.537 1.675 1.00 33.53 C ATOM 0 H ILE A 108 -19.497 1.649 3.435 1.00 41.04 H new ATOM 0 HA ILE A 108 -18.136 0.258 5.645 1.00 75.55 H new ATOM 0 HB ILE A 108 -16.010 1.224 4.662 1.00 44.11 H new ATOM 0 HG12 ILE A 108 -17.316 2.930 3.244 1.00 33.40 H new ATOM 0 HG13 ILE A 108 -15.882 2.185 2.566 1.00 33.40 H new ATOM 0 HG21 ILE A 108 -15.838 -0.517 2.901 1.00 14.14 H new ATOM 0 HG22 ILE A 108 -16.623 -1.134 4.374 1.00 14.14 H new ATOM 0 HG23 ILE A 108 -17.605 -0.723 2.948 1.00 14.14 H new ATOM 0 HD11 ILE A 108 -17.673 2.308 0.905 1.00 33.53 H new ATOM 0 HD12 ILE A 108 -17.289 0.611 1.282 1.00 33.53 H new ATOM 0 HD13 ILE A 108 -18.746 1.368 1.970 1.00 33.53 H new ATOM 1731 N GLU A 109 -17.496 2.339 6.952 1.00 74.24 N ATOM 1732 CA GLU A 109 -17.428 3.481 7.878 1.00 11.20 C ATOM 1733 C GLU A 109 -16.582 3.137 9.113 1.00 44.13 C ATOM 1734 O GLU A 109 -15.740 3.924 9.544 1.00 51.42 O ATOM 1735 CB GLU A 109 -18.841 3.898 8.327 1.00 22.11 C ATOM 1736 CG GLU A 109 -19.687 2.736 8.844 1.00 33.15 C ATOM 1737 CD GLU A 109 -20.943 3.177 9.571 1.00 62.43 C ATOM 1738 OE1 GLU A 109 -21.620 4.110 9.093 1.00 50.44 O ATOM 1739 OE2 GLU A 109 -21.250 2.586 10.631 1.00 52.34 O ATOM 0 H GLU A 109 -17.059 1.490 7.311 1.00 74.24 H new ATOM 0 HA GLU A 109 -16.959 4.310 7.348 1.00 11.20 H new ATOM 0 HB2 GLU A 109 -18.757 4.651 9.110 1.00 22.11 H new ATOM 0 HB3 GLU A 109 -19.356 4.366 7.488 1.00 22.11 H new ATOM 0 HG2 GLU A 109 -19.967 2.100 8.005 1.00 33.15 H new ATOM 0 HG3 GLU A 109 -19.082 2.128 9.517 1.00 33.15 H new ATOM 1746 N SER A 110 -16.826 1.948 9.670 1.00 33.52 N ATOM 1747 CA SER A 110 -16.136 1.475 10.878 1.00 43.11 C ATOM 1748 C SER A 110 -16.694 0.118 11.326 1.00 62.31 C ATOM 1749 O SER A 110 -17.905 -0.117 11.248 1.00 34.14 O ATOM 1750 CB SER A 110 -16.291 2.478 12.028 1.00 11.22 C ATOM 1751 OG SER A 110 -15.655 2.005 13.199 1.00 12.50 O ATOM 0 H SER A 110 -17.506 1.285 9.299 1.00 33.52 H new ATOM 0 HA SER A 110 -15.080 1.372 10.630 1.00 43.11 H new ATOM 0 HB2 SER A 110 -15.863 3.438 11.739 1.00 11.22 H new ATOM 0 HB3 SER A 110 -17.349 2.648 12.227 1.00 11.22 H new ATOM 0 HG SER A 110 -15.765 2.661 13.919 1.00 12.50 H new ATOM 1757 N GLY A 111 -15.808 -0.773 11.773 1.00 13.23 N ATOM 1758 CA GLY A 111 -16.225 -2.078 12.287 1.00 14.50 C ATOM 1759 C GLY A 111 -17.002 -2.919 11.277 1.00 13.33 C ATOM 1760 O GLY A 111 -17.979 -3.584 11.628 1.00 21.31 O ATOM 0 H GLY A 111 -14.800 -0.616 11.790 1.00 13.23 H new ATOM 0 HA2 GLY A 111 -15.342 -2.632 12.604 1.00 14.50 H new ATOM 0 HA3 GLY A 111 -16.842 -1.929 13.173 1.00 14.50 H new ATOM 1764 N LYS A 112 -16.571 -2.890 10.018 1.00 54.24 N ATOM 1765 CA LYS A 112 -17.231 -3.655 8.950 1.00 43.31 C ATOM 1766 C LYS A 112 -16.232 -4.607 8.268 1.00 5.42 C ATOM 1767 O LYS A 112 -15.106 -4.211 7.958 1.00 11.32 O ATOM 1768 CB LYS A 112 -17.832 -2.700 7.899 1.00 14.15 C ATOM 1769 CG LYS A 112 -18.758 -1.619 8.466 1.00 10.15 C ATOM 1770 CD LYS A 112 -20.035 -2.201 9.074 1.00 20.44 C ATOM 1771 CE LYS A 112 -21.019 -1.105 9.496 1.00 54.31 C ATOM 1772 NZ LYS A 112 -20.504 -0.274 10.623 1.00 73.34 N ATOM 0 H LYS A 112 -15.767 -2.345 9.707 1.00 54.24 H new ATOM 0 HA LYS A 112 -18.031 -4.244 9.400 1.00 43.31 H new ATOM 0 HB2 LYS A 112 -17.017 -2.215 7.362 1.00 14.15 H new ATOM 0 HB3 LYS A 112 -18.388 -3.289 7.170 1.00 14.15 H new ATOM 0 HG2 LYS A 112 -18.224 -1.050 9.227 1.00 10.15 H new ATOM 0 HG3 LYS A 112 -19.023 -0.920 7.673 1.00 10.15 H new ATOM 0 HD2 LYS A 112 -20.514 -2.860 8.350 1.00 20.44 H new ATOM 0 HD3 LYS A 112 -19.779 -2.812 9.940 1.00 20.44 H new ATOM 0 HE2 LYS A 112 -21.229 -0.462 8.641 1.00 54.31 H new ATOM 0 HE3 LYS A 112 -21.963 -1.563 9.789 1.00 54.31 H new ATOM 0 HZ1 LYS A 112 -20.721 0.727 10.443 1.00 73.34 H new ATOM 0 HZ2 LYS A 112 -20.957 -0.573 11.510 1.00 73.34 H new ATOM 0 HZ3 LYS A 112 -19.474 -0.396 10.702 1.00 73.34 H new ATOM 1786 N LYS A 113 -16.646 -5.852 8.035 1.00 13.21 N ATOM 1787 CA LYS A 113 -15.791 -6.842 7.360 1.00 62.24 C ATOM 1788 C LYS A 113 -15.829 -6.678 5.831 1.00 61.42 C ATOM 1789 O LYS A 113 -16.869 -6.874 5.200 1.00 35.10 O ATOM 1790 CB LYS A 113 -16.208 -8.279 7.736 1.00 20.24 C ATOM 1791 CG LYS A 113 -15.429 -8.884 8.907 1.00 21.43 C ATOM 1792 CD LYS A 113 -15.709 -8.187 10.238 1.00 42.44 C ATOM 1793 CE LYS A 113 -14.951 -8.858 11.381 1.00 71.30 C ATOM 1794 NZ LYS A 113 -15.295 -8.280 12.703 1.00 50.22 N ATOM 0 H LYS A 113 -17.566 -6.204 8.301 1.00 13.21 H new ATOM 0 HA LYS A 113 -14.771 -6.665 7.700 1.00 62.24 H new ATOM 0 HB2 LYS A 113 -17.270 -8.282 7.983 1.00 20.24 H new ATOM 0 HB3 LYS A 113 -16.082 -8.920 6.863 1.00 20.24 H new ATOM 0 HG2 LYS A 113 -15.682 -9.940 8.997 1.00 21.43 H new ATOM 0 HG3 LYS A 113 -14.362 -8.829 8.693 1.00 21.43 H new ATOM 0 HD2 LYS A 113 -15.418 -7.139 10.171 1.00 42.44 H new ATOM 0 HD3 LYS A 113 -16.779 -8.209 10.445 1.00 42.44 H new ATOM 0 HE2 LYS A 113 -15.174 -9.925 11.385 1.00 71.30 H new ATOM 0 HE3 LYS A 113 -13.879 -8.757 11.211 1.00 71.30 H new ATOM 0 HZ1 LYS A 113 -14.706 -8.721 13.438 1.00 50.22 H new ATOM 0 HZ2 LYS A 113 -15.122 -7.255 12.689 1.00 50.22 H new ATOM 0 HZ3 LYS A 113 -16.299 -8.459 12.910 1.00 50.22 H new ATOM 1808 N ILE A 114 -14.684 -6.348 5.238 1.00 13.22 N ATOM 1809 CA ILE A 114 -14.568 -6.215 3.781 1.00 34.23 C ATOM 1810 C ILE A 114 -13.814 -7.415 3.172 1.00 64.23 C ATOM 1811 O ILE A 114 -12.680 -7.719 3.553 1.00 63.12 O ATOM 1812 CB ILE A 114 -13.866 -4.883 3.390 1.00 61.42 C ATOM 1813 CG1 ILE A 114 -13.702 -4.763 1.861 1.00 3.43 C ATOM 1814 CG2 ILE A 114 -12.517 -4.750 4.091 1.00 72.03 C ATOM 1815 CD1 ILE A 114 -15.011 -4.677 1.103 1.00 2.30 C ATOM 0 H ILE A 114 -13.817 -6.166 5.744 1.00 13.22 H new ATOM 0 HA ILE A 114 -15.579 -6.201 3.374 1.00 34.23 H new ATOM 0 HB ILE A 114 -14.504 -4.064 3.722 1.00 61.42 H new ATOM 0 HG12 ILE A 114 -13.107 -3.877 1.639 1.00 3.43 H new ATOM 0 HG13 ILE A 114 -13.140 -5.624 1.498 1.00 3.43 H new ATOM 0 HG21 ILE A 114 -12.047 -3.810 3.801 1.00 72.03 H new ATOM 0 HG22 ILE A 114 -12.665 -4.763 5.171 1.00 72.03 H new ATOM 0 HG23 ILE A 114 -11.874 -5.582 3.803 1.00 72.03 H new ATOM 0 HD11 ILE A 114 -14.808 -4.595 0.035 1.00 2.30 H new ATOM 0 HD12 ILE A 114 -15.601 -5.574 1.292 1.00 2.30 H new ATOM 0 HD13 ILE A 114 -15.567 -3.800 1.435 1.00 2.30 H new ATOM 1827 N GLN A 115 -14.468 -8.117 2.249 1.00 71.12 N ATOM 1828 CA GLN A 115 -13.856 -9.260 1.565 1.00 32.13 C ATOM 1829 C GLN A 115 -13.147 -8.817 0.278 1.00 5.15 C ATOM 1830 O GLN A 115 -13.780 -8.298 -0.645 1.00 2.45 O ATOM 1831 CB GLN A 115 -14.910 -10.330 1.222 1.00 2.10 C ATOM 1832 CG GLN A 115 -15.586 -10.983 2.430 1.00 72.22 C ATOM 1833 CD GLN A 115 -16.538 -10.051 3.163 1.00 63.51 C ATOM 1834 OE1 GLN A 115 -17.710 -9.956 2.826 1.00 32.13 O ATOM 1835 NE2 GLN A 115 -16.052 -9.367 4.177 1.00 1.53 N ATOM 0 H GLN A 115 -15.424 -7.916 1.955 1.00 71.12 H new ATOM 0 HA GLN A 115 -13.122 -9.689 2.247 1.00 32.13 H new ATOM 0 HB2 GLN A 115 -15.678 -9.874 0.597 1.00 2.10 H new ATOM 0 HB3 GLN A 115 -14.434 -11.109 0.626 1.00 2.10 H new ATOM 0 HG2 GLN A 115 -16.135 -11.864 2.098 1.00 72.22 H new ATOM 0 HG3 GLN A 115 -14.820 -11.328 3.124 1.00 72.22 H new ATOM 0 HE21 GLN A 115 -15.070 -9.466 4.435 1.00 1.53 H new ATOM 0 HE22 GLN A 115 -16.657 -8.738 4.704 1.00 1.53 H new ATOM 1844 N VAL A 116 -11.833 -9.019 0.222 1.00 11.04 N ATOM 1845 CA VAL A 116 -11.050 -8.690 -0.973 1.00 11.21 C ATOM 1846 C VAL A 116 -10.866 -9.927 -1.867 1.00 31.41 C ATOM 1847 O VAL A 116 -10.083 -10.823 -1.551 1.00 30.34 O ATOM 1848 CB VAL A 116 -9.661 -8.120 -0.592 1.00 72.24 C ATOM 1849 CG1 VAL A 116 -8.836 -7.805 -1.842 1.00 31.11 C ATOM 1850 CG2 VAL A 116 -9.816 -6.880 0.289 1.00 72.41 C ATOM 0 H VAL A 116 -11.285 -9.409 0.989 1.00 11.04 H new ATOM 0 HA VAL A 116 -11.604 -7.930 -1.524 1.00 11.21 H new ATOM 0 HB VAL A 116 -9.124 -8.879 -0.023 1.00 72.24 H new ATOM 0 HG11 VAL A 116 -7.866 -7.406 -1.546 1.00 31.11 H new ATOM 0 HG12 VAL A 116 -8.692 -8.716 -2.422 1.00 31.11 H new ATOM 0 HG13 VAL A 116 -9.362 -7.068 -2.449 1.00 31.11 H new ATOM 0 HG21 VAL A 116 -8.831 -6.492 0.548 1.00 72.41 H new ATOM 0 HG22 VAL A 116 -10.376 -6.117 -0.252 1.00 72.41 H new ATOM 0 HG23 VAL A 116 -10.352 -7.146 1.200 1.00 72.41 H new ATOM 1902 N ARG A 120 -11.885 -7.283 -6.727 1.00 1.13 N ATOM 1903 CA ARG A 120 -13.297 -6.921 -6.540 1.00 1.14 C ATOM 1904 C ARG A 120 -13.687 -7.124 -5.066 1.00 1.22 C ATOM 1905 O ARG A 120 -13.369 -8.154 -4.468 1.00 43.53 O ATOM 1906 CB ARG A 120 -14.201 -7.737 -7.482 1.00 33.03 C ATOM 1907 CG ARG A 120 -14.227 -9.236 -7.199 1.00 14.42 C ATOM 1908 CD ARG A 120 -15.053 -9.990 -8.238 1.00 32.10 C ATOM 1909 NE ARG A 120 -15.328 -11.368 -7.832 1.00 2.03 N ATOM 1910 CZ ARG A 120 -14.988 -12.426 -8.515 1.00 63.14 C ATOM 1911 NH1 ARG A 120 -14.313 -12.317 -9.616 1.00 35.03 N ATOM 1912 NH2 ARG A 120 -15.325 -13.598 -8.089 1.00 0.44 N ATOM 0 HA ARG A 120 -13.436 -5.870 -6.794 1.00 1.14 H new ATOM 0 HB2 ARG A 120 -15.218 -7.350 -7.413 1.00 33.03 H new ATOM 0 HB3 ARG A 120 -13.869 -7.580 -8.508 1.00 33.03 H new ATOM 0 HG2 ARG A 120 -13.208 -9.623 -7.193 1.00 14.42 H new ATOM 0 HG3 ARG A 120 -14.641 -9.412 -6.206 1.00 14.42 H new ATOM 0 HD2 ARG A 120 -15.995 -9.466 -8.400 1.00 32.10 H new ATOM 0 HD3 ARG A 120 -14.522 -9.993 -9.190 1.00 32.10 H new ATOM 0 HE ARG A 120 -15.821 -11.512 -6.951 1.00 2.03 H new ATOM 0 HH11 ARG A 120 -14.041 -11.395 -9.958 1.00 35.03 H new ATOM 0 HH12 ARG A 120 -14.054 -13.153 -10.140 1.00 35.03 H new ATOM 0 HH21 ARG A 120 -15.854 -13.693 -7.222 1.00 0.44 H new ATOM 0 HH22 ARG A 120 -15.062 -14.429 -8.619 1.00 0.44 H new ATOM 1926 N TYR A 121 -14.357 -6.136 -4.479 1.00 73.34 N ATOM 1927 CA TYR A 121 -14.528 -6.084 -3.018 1.00 71.31 C ATOM 1928 C TYR A 121 -16.002 -6.200 -2.594 1.00 34.13 C ATOM 1929 O TYR A 121 -16.886 -5.601 -3.209 1.00 52.15 O ATOM 1930 CB TYR A 121 -13.911 -4.778 -2.500 1.00 32.24 C ATOM 1931 CG TYR A 121 -12.584 -4.459 -3.173 1.00 74.35 C ATOM 1932 CD1 TYR A 121 -11.429 -5.165 -2.851 1.00 71.24 C ATOM 1933 CD2 TYR A 121 -12.497 -3.475 -4.157 1.00 51.25 C ATOM 1934 CE1 TYR A 121 -10.229 -4.894 -3.483 1.00 1.21 C ATOM 1935 CE2 TYR A 121 -11.301 -3.205 -4.793 1.00 41.21 C ATOM 1936 CZ TYR A 121 -10.170 -3.914 -4.451 1.00 13.42 C ATOM 1937 OH TYR A 121 -8.979 -3.650 -5.084 1.00 52.04 O ATOM 0 H TYR A 121 -14.790 -5.362 -4.983 1.00 73.34 H new ATOM 0 HA TYR A 121 -14.018 -6.941 -2.579 1.00 71.31 H new ATOM 0 HB2 TYR A 121 -14.608 -3.957 -2.669 1.00 32.24 H new ATOM 0 HB3 TYR A 121 -13.761 -4.852 -1.423 1.00 32.24 H new ATOM 0 HD1 TYR A 121 -11.470 -5.936 -2.096 1.00 71.24 H new ATOM 0 HD2 TYR A 121 -13.380 -2.914 -4.426 1.00 51.25 H new ATOM 0 HE1 TYR A 121 -9.341 -5.449 -3.219 1.00 1.21 H new ATOM 0 HE2 TYR A 121 -11.252 -2.441 -5.555 1.00 41.21 H new ATOM 0 HH TYR A 121 -9.109 -2.933 -5.739 1.00 52.04 H new ATOM 1947 N TYR A 122 -16.256 -6.973 -1.534 1.00 53.23 N ATOM 1948 CA TYR A 122 -17.626 -7.235 -1.065 1.00 72.20 C ATOM 1949 C TYR A 122 -17.793 -6.952 0.435 1.00 13.05 C ATOM 1950 O TYR A 122 -16.941 -7.313 1.243 1.00 71.50 O ATOM 1951 CB TYR A 122 -18.003 -8.703 -1.309 1.00 13.12 C ATOM 1952 CG TYR A 122 -17.927 -9.152 -2.757 1.00 30.32 C ATOM 1953 CD1 TYR A 122 -16.727 -9.581 -3.314 1.00 65.11 C ATOM 1954 CD2 TYR A 122 -19.061 -9.160 -3.560 1.00 34.33 C ATOM 1955 CE1 TYR A 122 -16.662 -10.003 -4.627 1.00 34.43 C ATOM 1956 CE2 TYR A 122 -19.001 -9.579 -4.872 1.00 5.22 C ATOM 1957 CZ TYR A 122 -17.803 -9.999 -5.401 1.00 21.44 C ATOM 1958 OH TYR A 122 -17.745 -10.426 -6.709 1.00 31.45 O ATOM 0 H TYR A 122 -15.531 -7.431 -0.981 1.00 53.23 H new ATOM 0 HA TYR A 122 -18.276 -6.565 -1.628 1.00 72.20 H new ATOM 0 HB2 TYR A 122 -17.345 -9.335 -0.713 1.00 13.12 H new ATOM 0 HB3 TYR A 122 -19.018 -8.867 -0.946 1.00 13.12 H new ATOM 0 HD1 TYR A 122 -15.832 -9.584 -2.710 1.00 65.11 H new ATOM 0 HD2 TYR A 122 -20.005 -8.833 -3.150 1.00 34.33 H new ATOM 0 HE1 TYR A 122 -15.723 -10.334 -5.045 1.00 34.43 H new ATOM 0 HE2 TYR A 122 -19.892 -9.577 -5.482 1.00 5.22 H new ATOM 0 HH TYR A 122 -18.635 -10.361 -7.114 1.00 31.45 H new ATOM 1968 N ILE A 123 -18.900 -6.318 0.806 1.00 31.32 N ATOM 1969 CA ILE A 123 -19.303 -6.233 2.213 1.00 25.01 C ATOM 1970 C ILE A 123 -20.358 -7.306 2.515 1.00 40.03 C ATOM 1971 O ILE A 123 -21.535 -7.150 2.181 1.00 33.23 O ATOM 1972 CB ILE A 123 -19.860 -4.830 2.587 1.00 3.50 C ATOM 1973 CG1 ILE A 123 -18.735 -3.780 2.565 1.00 61.11 C ATOM 1974 CG2 ILE A 123 -20.541 -4.858 3.961 1.00 61.11 C ATOM 1975 CD1 ILE A 123 -17.651 -4.020 3.596 1.00 32.23 C ATOM 0 H ILE A 123 -19.536 -5.855 0.157 1.00 31.32 H new ATOM 0 HA ILE A 123 -18.412 -6.401 2.817 1.00 25.01 H new ATOM 0 HB ILE A 123 -20.608 -4.554 1.844 1.00 3.50 H new ATOM 0 HG12 ILE A 123 -18.283 -3.767 1.573 1.00 61.11 H new ATOM 0 HG13 ILE A 123 -19.169 -2.794 2.731 1.00 61.11 H new ATOM 0 HG21 ILE A 123 -20.922 -3.865 4.199 1.00 61.11 H new ATOM 0 HG22 ILE A 123 -21.367 -5.569 3.943 1.00 61.11 H new ATOM 0 HG23 ILE A 123 -19.819 -5.161 4.719 1.00 61.11 H new ATOM 0 HD11 ILE A 123 -16.895 -3.239 3.518 1.00 32.23 H new ATOM 0 HD12 ILE A 123 -18.088 -4.003 4.594 1.00 32.23 H new ATOM 0 HD13 ILE A 123 -17.189 -4.991 3.419 1.00 32.23 H new ATOM 1987 N GLU A 124 -19.908 -8.425 3.088 1.00 12.15 N ATOM 1988 CA GLU A 124 -20.797 -9.530 3.478 1.00 10.21 C ATOM 1989 C GLU A 124 -21.632 -10.051 2.290 1.00 63.21 C ATOM 1990 O GLU A 124 -22.722 -10.603 2.471 1.00 30.15 O ATOM 1991 CB GLU A 124 -21.710 -9.079 4.627 1.00 14.51 C ATOM 1992 CG GLU A 124 -20.942 -8.549 5.835 1.00 35.34 C ATOM 1993 CD GLU A 124 -21.854 -8.149 6.982 1.00 25.13 C ATOM 1994 OE1 GLU A 124 -22.554 -7.121 6.866 1.00 75.15 O ATOM 1995 OE2 GLU A 124 -21.876 -8.860 8.010 1.00 35.32 O ATOM 0 H GLU A 124 -18.924 -8.593 3.295 1.00 12.15 H new ATOM 0 HA GLU A 124 -20.174 -10.359 3.814 1.00 10.21 H new ATOM 0 HB2 GLU A 124 -22.383 -8.302 4.264 1.00 14.51 H new ATOM 0 HB3 GLU A 124 -22.331 -9.919 4.940 1.00 14.51 H new ATOM 0 HG2 GLU A 124 -20.245 -9.312 6.180 1.00 35.34 H new ATOM 0 HG3 GLU A 124 -20.347 -7.687 5.532 1.00 35.34 H new ATOM 2002 N GLY A 125 -21.096 -9.892 1.076 1.00 11.10 N ATOM 2003 CA GLY A 125 -21.790 -10.345 -0.132 1.00 41.14 C ATOM 2004 C GLY A 125 -22.193 -9.209 -1.078 1.00 4.05 C ATOM 2005 O GLY A 125 -22.491 -9.444 -2.250 1.00 13.14 O ATOM 0 H GLY A 125 -20.190 -9.456 0.905 1.00 11.10 H new ATOM 0 HA2 GLY A 125 -21.147 -11.042 -0.670 1.00 41.14 H new ATOM 0 HA3 GLY A 125 -22.684 -10.897 0.159 1.00 41.14 H new ATOM 2009 N ARG A 126 -22.210 -7.976 -0.572 1.00 42.12 N ATOM 2010 CA ARG A 126 -22.598 -6.809 -1.380 1.00 61.35 C ATOM 2011 C ARG A 126 -21.401 -6.207 -2.137 1.00 4.42 C ATOM 2012 O ARG A 126 -20.392 -5.839 -1.534 1.00 74.04 O ATOM 2013 CB ARG A 126 -23.250 -5.743 -0.485 1.00 1.33 C ATOM 2014 CG ARG A 126 -24.588 -6.175 0.109 1.00 23.13 C ATOM 2015 CD ARG A 126 -25.633 -6.433 -0.974 1.00 0.42 C ATOM 2016 NE ARG A 126 -25.936 -5.224 -1.741 1.00 32.51 N ATOM 2017 CZ ARG A 126 -26.146 -5.196 -3.030 1.00 1.44 C ATOM 2018 NH1 ARG A 126 -26.085 -6.276 -3.743 1.00 73.15 N ATOM 2019 NH2 ARG A 126 -26.423 -4.074 -3.606 1.00 32.21 N ATOM 0 H ARG A 126 -21.961 -7.755 0.392 1.00 42.12 H new ATOM 0 HA ARG A 126 -23.317 -7.149 -2.125 1.00 61.35 H new ATOM 0 HB2 ARG A 126 -22.566 -5.495 0.326 1.00 1.33 H new ATOM 0 HB3 ARG A 126 -23.398 -4.833 -1.067 1.00 1.33 H new ATOM 0 HG2 ARG A 126 -24.448 -7.079 0.701 1.00 23.13 H new ATOM 0 HG3 ARG A 126 -24.951 -5.403 0.787 1.00 23.13 H new ATOM 0 HD2 ARG A 126 -25.272 -7.210 -1.648 1.00 0.42 H new ATOM 0 HD3 ARG A 126 -26.547 -6.809 -0.514 1.00 0.42 H new ATOM 0 HE ARG A 126 -25.987 -4.341 -1.233 1.00 32.51 H new ATOM 0 HH11 ARG A 126 -25.870 -7.169 -3.299 1.00 73.15 H new ATOM 0 HH12 ARG A 126 -26.252 -6.234 -4.748 1.00 73.15 H new ATOM 0 HH21 ARG A 126 -26.477 -3.217 -3.055 1.00 32.21 H new ATOM 0 HH22 ARG A 126 -26.588 -4.044 -4.612 1.00 32.21 H new ATOM 2033 N GLU A 127 -21.531 -6.108 -3.463 1.00 51.12 N ATOM 2034 CA GLU A 127 -20.481 -5.533 -4.321 1.00 41.32 C ATOM 2035 C GLU A 127 -20.248 -4.039 -4.024 1.00 63.15 C ATOM 2036 O GLU A 127 -21.157 -3.218 -4.167 1.00 33.50 O ATOM 2037 CB GLU A 127 -20.859 -5.699 -5.802 1.00 42.55 C ATOM 2038 CG GLU A 127 -21.029 -7.148 -6.250 1.00 53.05 C ATOM 2039 CD GLU A 127 -21.410 -7.268 -7.720 1.00 14.10 C ATOM 2040 OE1 GLU A 127 -20.501 -7.275 -8.576 1.00 40.12 O ATOM 2041 OE2 GLU A 127 -22.625 -7.344 -8.023 1.00 2.43 O ATOM 0 H GLU A 127 -22.358 -6.420 -3.972 1.00 51.12 H new ATOM 0 HA GLU A 127 -19.558 -6.072 -4.106 1.00 41.32 H new ATOM 0 HB2 GLU A 127 -21.789 -5.162 -5.990 1.00 42.55 H new ATOM 0 HB3 GLU A 127 -20.090 -5.229 -6.416 1.00 42.55 H new ATOM 0 HG2 GLU A 127 -20.100 -7.690 -6.074 1.00 53.05 H new ATOM 0 HG3 GLU A 127 -21.796 -7.625 -5.640 1.00 53.05 H new ATOM 2048 N ILE A 128 -19.025 -3.690 -3.628 1.00 34.11 N ATOM 2049 CA ILE A 128 -18.674 -2.298 -3.324 1.00 21.11 C ATOM 2050 C ILE A 128 -17.992 -1.611 -4.520 1.00 13.33 C ATOM 2051 O ILE A 128 -17.046 -2.143 -5.104 1.00 73.32 O ATOM 2052 CB ILE A 128 -17.748 -2.213 -2.084 1.00 24.04 C ATOM 2053 CG1 ILE A 128 -18.386 -2.941 -0.891 1.00 53.21 C ATOM 2054 CG2 ILE A 128 -17.446 -0.757 -1.730 1.00 4.35 C ATOM 2055 CD1 ILE A 128 -19.750 -2.404 -0.501 1.00 0.33 C ATOM 0 H ILE A 128 -18.257 -4.351 -3.509 1.00 34.11 H new ATOM 0 HA ILE A 128 -19.607 -1.777 -3.109 1.00 21.11 H new ATOM 0 HB ILE A 128 -16.805 -2.703 -2.325 1.00 24.04 H new ATOM 0 HG12 ILE A 128 -18.479 -4.000 -1.132 1.00 53.21 H new ATOM 0 HG13 ILE A 128 -17.718 -2.866 -0.033 1.00 53.21 H new ATOM 0 HG21 ILE A 128 -16.795 -0.722 -0.857 1.00 4.35 H new ATOM 0 HG22 ILE A 128 -16.951 -0.273 -2.572 1.00 4.35 H new ATOM 0 HG23 ILE A 128 -18.377 -0.236 -1.509 1.00 4.35 H new ATOM 0 HD11 ILE A 128 -20.134 -2.969 0.348 1.00 0.33 H new ATOM 0 HD12 ILE A 128 -19.662 -1.353 -0.227 1.00 0.33 H new ATOM 0 HD13 ILE A 128 -20.435 -2.504 -1.343 1.00 0.33 H new ATOM 2067 N ASP A 129 -18.475 -0.419 -4.871 1.00 31.15 N ATOM 2068 CA ASP A 129 -17.943 0.337 -6.010 1.00 13.02 C ATOM 2069 C ASP A 129 -16.576 0.975 -5.682 1.00 62.53 C ATOM 2070 O ASP A 129 -16.508 2.087 -5.153 1.00 63.14 O ATOM 2071 CB ASP A 129 -18.950 1.417 -6.431 1.00 61.11 C ATOM 2072 CG ASP A 129 -18.549 2.132 -7.712 1.00 72.33 C ATOM 2073 OD1 ASP A 129 -18.817 1.590 -8.804 1.00 72.05 O ATOM 2074 OD2 ASP A 129 -17.977 3.241 -7.638 1.00 65.24 O ATOM 0 H ASP A 129 -19.238 0.048 -4.381 1.00 31.15 H new ATOM 0 HA ASP A 129 -17.789 -0.358 -6.836 1.00 13.02 H new ATOM 0 HB2 ASP A 129 -19.930 0.960 -6.568 1.00 61.11 H new ATOM 0 HB3 ASP A 129 -19.048 2.148 -5.628 1.00 61.11 H new ATOM 2079 N LEU A 130 -15.495 0.252 -5.979 1.00 24.51 N ATOM 2080 CA LEU A 130 -14.128 0.745 -5.743 1.00 3.14 C ATOM 2081 C LEU A 130 -13.222 0.514 -6.968 1.00 34.04 C ATOM 2082 O LEU A 130 -13.598 -0.179 -7.916 1.00 12.44 O ATOM 2083 CB LEU A 130 -13.514 0.055 -4.512 1.00 31.12 C ATOM 2084 CG LEU A 130 -14.248 0.283 -3.177 1.00 64.54 C ATOM 2085 CD1 LEU A 130 -13.596 -0.524 -2.054 1.00 20.41 C ATOM 2086 CD2 LEU A 130 -14.279 1.769 -2.823 1.00 33.21 C ATOM 0 H LEU A 130 -15.536 -0.682 -6.386 1.00 24.51 H new ATOM 0 HA LEU A 130 -14.195 1.818 -5.564 1.00 3.14 H new ATOM 0 HB2 LEU A 130 -13.473 -1.017 -4.703 1.00 31.12 H new ATOM 0 HB3 LEU A 130 -12.485 0.399 -4.402 1.00 31.12 H new ATOM 0 HG LEU A 130 -15.275 -0.062 -3.293 1.00 64.54 H new ATOM 0 HD11 LEU A 130 -14.131 -0.347 -1.121 1.00 20.41 H new ATOM 0 HD12 LEU A 130 -13.635 -1.585 -2.299 1.00 20.41 H new ATOM 0 HD13 LEU A 130 -12.557 -0.215 -1.940 1.00 20.41 H new ATOM 0 HD21 LEU A 130 -14.802 1.907 -1.877 1.00 33.21 H new ATOM 0 HD22 LEU A 130 -13.259 2.143 -2.732 1.00 33.21 H new ATOM 0 HD23 LEU A 130 -14.798 2.319 -3.608 1.00 33.21 H new ATOM 2098 N GLY A 131 -12.031 1.113 -6.942 1.00 51.35 N ATOM 2099 CA GLY A 131 -11.056 0.920 -8.014 1.00 70.41 C ATOM 2100 C GLY A 131 -9.628 1.244 -7.574 1.00 3.23 C ATOM 2101 O GLY A 131 -8.750 0.380 -7.596 1.00 24.14 O ATOM 0 H GLY A 131 -11.720 1.733 -6.194 1.00 51.35 H new ATOM 0 HA2 GLY A 131 -11.101 -0.113 -8.359 1.00 70.41 H new ATOM 0 HA3 GLY A 131 -11.323 1.551 -8.862 1.00 70.41 H new ATOM 2105 N TYR A 132 -9.399 2.494 -7.173 1.00 2.20 N ATOM 2106 CA TYR A 132 -8.092 2.915 -6.648 1.00 55.12 C ATOM 2107 C TYR A 132 -8.198 4.240 -5.874 1.00 52.23 C ATOM 2108 O TYR A 132 -7.994 4.277 -4.662 1.00 53.24 O ATOM 2109 CB TYR A 132 -7.061 3.069 -7.782 1.00 42.13 C ATOM 2110 CG TYR A 132 -5.637 3.298 -7.285 1.00 65.34 C ATOM 2111 CD1 TYR A 132 -5.258 4.507 -6.700 1.00 12.51 C ATOM 2112 CD2 TYR A 132 -4.675 2.302 -7.396 1.00 42.44 C ATOM 2113 CE1 TYR A 132 -3.971 4.709 -6.245 1.00 73.44 C ATOM 2114 CE2 TYR A 132 -3.386 2.500 -6.941 1.00 41.43 C ATOM 2115 CZ TYR A 132 -3.040 3.703 -6.366 1.00 15.44 C ATOM 2116 OH TYR A 132 -1.754 3.905 -5.925 1.00 24.23 O ATOM 0 H TYR A 132 -10.099 3.236 -7.200 1.00 2.20 H new ATOM 0 HA TYR A 132 -7.758 2.134 -5.965 1.00 55.12 H new ATOM 0 HB2 TYR A 132 -7.081 2.174 -8.404 1.00 42.13 H new ATOM 0 HB3 TYR A 132 -7.354 3.905 -8.417 1.00 42.13 H new ATOM 0 HD1 TYR A 132 -5.985 5.299 -6.602 1.00 12.51 H new ATOM 0 HD2 TYR A 132 -4.940 1.356 -7.846 1.00 42.44 H new ATOM 0 HE1 TYR A 132 -3.696 5.652 -5.796 1.00 73.44 H new ATOM 0 HE2 TYR A 132 -2.651 1.714 -7.036 1.00 41.43 H new ATOM 0 HH TYR A 132 -1.223 3.096 -6.083 1.00 24.23 H new ATOM 2126 N GLY A 133 -8.504 5.325 -6.593 1.00 55.05 N ATOM 2127 CA GLY A 133 -8.505 6.664 -5.999 1.00 64.14 C ATOM 2128 C GLY A 133 -9.372 6.780 -4.750 1.00 33.44 C ATOM 2129 O GLY A 133 -8.958 7.370 -3.750 1.00 44.03 O ATOM 0 H GLY A 133 -8.753 5.302 -7.582 1.00 55.05 H new ATOM 0 HA2 GLY A 133 -7.481 6.941 -5.747 1.00 64.14 H new ATOM 0 HA3 GLY A 133 -8.855 7.381 -6.742 1.00 64.14 H new ATOM 2133 N GLU A 134 -10.580 6.241 -4.815 1.00 72.30 N ATOM 2134 CA GLU A 134 -11.468 6.205 -3.650 1.00 14.23 C ATOM 2135 C GLU A 134 -11.057 5.084 -2.671 1.00 32.13 C ATOM 2136 O GLU A 134 -11.029 5.286 -1.458 1.00 60.34 O ATOM 2137 CB GLU A 134 -12.944 6.042 -4.078 1.00 62.54 C ATOM 2138 CG GLU A 134 -13.316 4.677 -4.663 1.00 14.03 C ATOM 2139 CD GLU A 134 -12.626 4.375 -5.981 1.00 25.52 C ATOM 2140 OE1 GLU A 134 -13.137 4.794 -7.040 1.00 73.43 O ATOM 2141 OE2 GLU A 134 -11.564 3.723 -5.965 1.00 24.00 O ATOM 0 H GLU A 134 -10.973 5.822 -5.658 1.00 72.30 H new ATOM 0 HA GLU A 134 -11.370 7.159 -3.132 1.00 14.23 H new ATOM 0 HB2 GLU A 134 -13.578 6.231 -3.212 1.00 62.54 H new ATOM 0 HB3 GLU A 134 -13.176 6.809 -4.816 1.00 62.54 H new ATOM 0 HG2 GLU A 134 -13.061 3.900 -3.942 1.00 14.03 H new ATOM 0 HG3 GLU A 134 -14.395 4.635 -4.809 1.00 14.03 H new ATOM 2148 N ALA A 135 -10.702 3.918 -3.214 1.00 13.51 N ATOM 2149 CA ALA A 135 -10.376 2.734 -2.406 1.00 73.32 C ATOM 2150 C ALA A 135 -9.176 2.966 -1.471 1.00 45.22 C ATOM 2151 O ALA A 135 -9.134 2.447 -0.356 1.00 34.22 O ATOM 2152 CB ALA A 135 -10.112 1.540 -3.316 1.00 60.13 C ATOM 0 H ALA A 135 -10.632 3.765 -4.220 1.00 13.51 H new ATOM 0 HA ALA A 135 -11.238 2.530 -1.771 1.00 73.32 H new ATOM 0 HB1 ALA A 135 -9.871 0.667 -2.710 1.00 60.13 H new ATOM 0 HB2 ALA A 135 -11.001 1.334 -3.913 1.00 60.13 H new ATOM 0 HB3 ALA A 135 -9.275 1.765 -3.977 1.00 60.13 H new ATOM 2158 N THR A 136 -8.203 3.750 -1.925 1.00 11.00 N ATOM 2159 CA THR A 136 -6.992 4.025 -1.133 1.00 41.22 C ATOM 2160 C THR A 136 -7.290 4.891 0.102 1.00 21.52 C ATOM 2161 O THR A 136 -6.417 5.102 0.943 1.00 22.12 O ATOM 2162 CB THR A 136 -5.903 4.728 -1.982 1.00 12.10 C ATOM 2163 OG1 THR A 136 -4.697 4.909 -1.218 1.00 14.40 O ATOM 2164 CG2 THR A 136 -6.393 6.080 -2.487 1.00 14.53 C ATOM 0 H THR A 136 -8.222 4.209 -2.836 1.00 11.00 H new ATOM 0 HA THR A 136 -6.625 3.053 -0.802 1.00 41.22 H new ATOM 0 HB THR A 136 -5.690 4.088 -2.838 1.00 12.10 H new ATOM 0 HG1 THR A 136 -4.906 4.868 -0.262 1.00 14.40 H new ATOM 0 HG21 THR A 136 -5.610 6.553 -3.080 1.00 14.53 H new ATOM 0 HG22 THR A 136 -7.280 5.938 -3.104 1.00 14.53 H new ATOM 0 HG23 THR A 136 -6.640 6.718 -1.638 1.00 14.53 H new ATOM 2172 N LYS A 137 -8.517 5.397 0.201 1.00 12.42 N ATOM 2173 CA LYS A 137 -8.915 6.243 1.333 1.00 12.44 C ATOM 2174 C LYS A 137 -9.554 5.412 2.464 1.00 30.21 C ATOM 2175 O LYS A 137 -9.748 5.904 3.577 1.00 22.13 O ATOM 2176 CB LYS A 137 -9.885 7.330 0.856 1.00 42.42 C ATOM 2177 CG LYS A 137 -9.333 8.180 -0.287 1.00 44.20 C ATOM 2178 CD LYS A 137 -10.308 9.275 -0.720 1.00 14.01 C ATOM 2179 CE LYS A 137 -9.765 10.063 -1.908 1.00 22.41 C ATOM 2180 NZ LYS A 137 -10.658 11.186 -2.308 1.00 63.11 N ATOM 0 H LYS A 137 -9.255 5.239 -0.486 1.00 12.42 H new ATOM 0 HA LYS A 137 -8.018 6.712 1.736 1.00 12.44 H new ATOM 0 HB2 LYS A 137 -10.814 6.860 0.533 1.00 42.42 H new ATOM 0 HB3 LYS A 137 -10.131 7.980 1.696 1.00 42.42 H new ATOM 0 HG2 LYS A 137 -8.393 8.636 0.024 1.00 44.20 H new ATOM 0 HG3 LYS A 137 -9.110 7.538 -1.139 1.00 44.20 H new ATOM 0 HD2 LYS A 137 -11.266 8.828 -0.985 1.00 14.01 H new ATOM 0 HD3 LYS A 137 -10.492 9.952 0.114 1.00 14.01 H new ATOM 0 HE2 LYS A 137 -8.781 10.458 -1.657 1.00 22.41 H new ATOM 0 HE3 LYS A 137 -9.632 9.390 -2.755 1.00 22.41 H new ATOM 0 HZ1 LYS A 137 -10.243 11.688 -3.119 1.00 63.11 H new ATOM 0 HZ2 LYS A 137 -11.590 10.810 -2.574 1.00 63.11 H new ATOM 0 HZ3 LYS A 137 -10.765 11.845 -1.511 1.00 63.11 H new ATOM 2194 N ILE A 138 -9.881 4.153 2.167 1.00 42.01 N ATOM 2195 CA ILE A 138 -10.444 3.229 3.164 1.00 4.31 C ATOM 2196 C ILE A 138 -9.329 2.403 3.829 1.00 61.53 C ATOM 2197 O ILE A 138 -8.739 1.531 3.200 1.00 13.40 O ATOM 2198 CB ILE A 138 -11.482 2.252 2.530 1.00 53.23 C ATOM 2199 CG1 ILE A 138 -12.723 3.005 2.010 1.00 20.42 C ATOM 2200 CG2 ILE A 138 -11.900 1.173 3.529 1.00 1.01 C ATOM 2201 CD1 ILE A 138 -12.480 3.829 0.765 1.00 10.23 C ATOM 0 H ILE A 138 -9.766 3.744 1.240 1.00 42.01 H new ATOM 0 HA ILE A 138 -10.950 3.842 3.910 1.00 4.31 H new ATOM 0 HB ILE A 138 -10.997 1.771 1.681 1.00 53.23 H new ATOM 0 HG12 ILE A 138 -13.511 2.281 1.803 1.00 20.42 H new ATOM 0 HG13 ILE A 138 -13.091 3.661 2.799 1.00 20.42 H new ATOM 0 HG21 ILE A 138 -12.624 0.505 3.062 1.00 1.01 H new ATOM 0 HG22 ILE A 138 -11.024 0.601 3.835 1.00 1.01 H new ATOM 0 HG23 ILE A 138 -12.351 1.642 4.404 1.00 1.01 H new ATOM 0 HD11 ILE A 138 -13.405 4.324 0.470 1.00 10.23 H new ATOM 0 HD12 ILE A 138 -11.716 4.580 0.969 1.00 10.23 H new ATOM 0 HD13 ILE A 138 -12.143 3.178 -0.042 1.00 10.23 H new ATOM 2213 N TRP A 139 -9.036 2.680 5.096 1.00 35.12 N ATOM 2214 CA TRP A 139 -8.001 1.933 5.825 1.00 75.20 C ATOM 2215 C TRP A 139 -8.585 0.687 6.505 1.00 43.11 C ATOM 2216 O TRP A 139 -9.481 0.784 7.348 1.00 71.45 O ATOM 2217 CB TRP A 139 -7.324 2.834 6.861 1.00 73.42 C ATOM 2218 CG TRP A 139 -6.530 3.953 6.250 1.00 43.25 C ATOM 2219 CD1 TRP A 139 -7.019 5.063 5.623 1.00 12.12 C ATOM 2220 CD2 TRP A 139 -5.102 4.069 6.210 1.00 72.01 C ATOM 2221 NE1 TRP A 139 -5.984 5.857 5.197 1.00 32.22 N ATOM 2222 CE2 TRP A 139 -4.798 5.272 5.547 1.00 52.23 C ATOM 2223 CE3 TRP A 139 -4.050 3.274 6.678 1.00 33.04 C ATOM 2224 CZ2 TRP A 139 -3.491 5.694 5.331 1.00 3.03 C ATOM 2225 CZ3 TRP A 139 -2.751 3.695 6.463 1.00 60.34 C ATOM 2226 CH2 TRP A 139 -2.482 4.898 5.798 1.00 54.14 C ATOM 0 H TRP A 139 -9.494 3.410 5.641 1.00 35.12 H new ATOM 0 HA TRP A 139 -7.256 1.602 5.101 1.00 75.20 H new ATOM 0 HB2 TRP A 139 -8.085 3.255 7.518 1.00 73.42 H new ATOM 0 HB3 TRP A 139 -6.665 2.228 7.483 1.00 73.42 H new ATOM 0 HD1 TRP A 139 -8.067 5.284 5.483 1.00 12.12 H new ATOM 0 HE1 TRP A 139 -6.083 6.742 4.699 1.00 32.22 H new ATOM 0 HE3 TRP A 139 -4.249 2.348 7.198 1.00 33.04 H new ATOM 0 HZ2 TRP A 139 -3.280 6.618 4.813 1.00 3.03 H new ATOM 0 HZ3 TRP A 139 -1.930 3.087 6.813 1.00 60.34 H new ATOM 0 HH2 TRP A 139 -1.456 5.203 5.651 1.00 54.14 H new ATOM 2237 N VAL A 140 -8.062 -0.481 6.135 1.00 54.00 N ATOM 2238 CA VAL A 140 -8.544 -1.767 6.656 1.00 70.05 C ATOM 2239 C VAL A 140 -7.436 -2.541 7.400 1.00 74.11 C ATOM 2240 O VAL A 140 -6.252 -2.242 7.257 1.00 24.31 O ATOM 2241 CB VAL A 140 -9.104 -2.648 5.509 1.00 50.33 C ATOM 2242 CG1 VAL A 140 -10.321 -1.985 4.863 1.00 30.34 C ATOM 2243 CG2 VAL A 140 -8.025 -2.931 4.461 1.00 11.13 C ATOM 0 H VAL A 140 -7.295 -0.567 5.468 1.00 54.00 H new ATOM 0 HA VAL A 140 -9.339 -1.542 7.366 1.00 70.05 H new ATOM 0 HB VAL A 140 -9.419 -3.600 5.937 1.00 50.33 H new ATOM 0 HG11 VAL A 140 -10.698 -2.620 4.061 1.00 30.34 H new ATOM 0 HG12 VAL A 140 -11.100 -1.846 5.612 1.00 30.34 H new ATOM 0 HG13 VAL A 140 -10.033 -1.016 4.454 1.00 30.34 H new ATOM 0 HG21 VAL A 140 -8.442 -3.551 3.667 1.00 11.13 H new ATOM 0 HG22 VAL A 140 -7.672 -1.990 4.039 1.00 11.13 H new ATOM 0 HG23 VAL A 140 -7.191 -3.454 4.929 1.00 11.13 H new ATOM 2253 N ARG A 141 -7.830 -3.535 8.202 1.00 73.41 N ATOM 2254 CA ARG A 141 -6.875 -4.334 8.991 1.00 33.34 C ATOM 2255 C ARG A 141 -7.030 -5.837 8.701 1.00 2.51 C ATOM 2256 O ARG A 141 -8.108 -6.293 8.316 1.00 64.31 O ATOM 2257 CB ARG A 141 -7.092 -4.090 10.494 1.00 11.12 C ATOM 2258 CG ARG A 141 -7.325 -2.628 10.862 1.00 54.24 C ATOM 2259 CD ARG A 141 -7.361 -2.422 12.372 1.00 44.12 C ATOM 2260 NE ARG A 141 -6.039 -2.575 12.975 1.00 63.53 N ATOM 2261 CZ ARG A 141 -5.719 -3.500 13.836 1.00 24.31 C ATOM 2262 NH1 ARG A 141 -6.591 -4.380 14.222 1.00 11.14 N ATOM 2263 NH2 ARG A 141 -4.517 -3.537 14.312 1.00 65.24 N ATOM 0 H ARG A 141 -8.805 -3.809 8.325 1.00 73.41 H new ATOM 0 HA ARG A 141 -5.871 -4.022 8.705 1.00 33.34 H new ATOM 0 HB2 ARG A 141 -7.948 -4.678 10.826 1.00 11.12 H new ATOM 0 HB3 ARG A 141 -6.222 -4.456 11.040 1.00 11.12 H new ATOM 0 HG2 ARG A 141 -6.534 -2.014 10.430 1.00 54.24 H new ATOM 0 HG3 ARG A 141 -8.265 -2.289 10.427 1.00 54.24 H new ATOM 0 HD2 ARG A 141 -7.748 -1.427 12.593 1.00 44.12 H new ATOM 0 HD3 ARG A 141 -8.049 -3.139 12.820 1.00 44.12 H new ATOM 0 HE ARG A 141 -5.315 -1.910 12.703 1.00 63.53 H new ATOM 0 HH11 ARG A 141 -7.541 -4.354 13.851 1.00 11.14 H new ATOM 0 HH12 ARG A 141 -6.327 -5.098 14.896 1.00 11.14 H new ATOM 0 HH21 ARG A 141 -3.829 -2.846 14.013 1.00 65.24 H new ATOM 0 HH22 ARG A 141 -4.257 -4.257 14.986 1.00 65.24 H new ATOM 2277 N ARG A 142 -5.956 -6.608 8.895 1.00 10.04 N ATOM 2278 CA ARG A 142 -6.010 -8.069 8.723 1.00 62.01 C ATOM 2279 C ARG A 142 -6.657 -8.753 9.934 1.00 62.03 C ATOM 2280 O ARG A 142 -6.213 -8.597 11.073 1.00 34.10 O ATOM 2281 CB ARG A 142 -4.606 -8.642 8.458 1.00 63.30 C ATOM 2282 CG ARG A 142 -4.296 -8.818 6.973 1.00 20.55 C ATOM 2283 CD ARG A 142 -5.028 -10.020 6.372 1.00 1.41 C ATOM 2284 NE ARG A 142 -4.802 -10.149 4.930 1.00 33.14 N ATOM 2285 CZ ARG A 142 -5.036 -11.237 4.243 1.00 52.02 C ATOM 2286 NH1 ARG A 142 -5.438 -12.316 4.834 1.00 52.14 N ATOM 2287 NH2 ARG A 142 -4.868 -11.241 2.960 1.00 54.14 N ATOM 0 H ARG A 142 -5.041 -6.250 9.170 1.00 10.04 H new ATOM 0 HA ARG A 142 -6.634 -8.275 7.854 1.00 62.01 H new ATOM 0 HB2 ARG A 142 -3.862 -7.981 8.902 1.00 63.30 H new ATOM 0 HB3 ARG A 142 -4.514 -9.606 8.958 1.00 63.30 H new ATOM 0 HG2 ARG A 142 -4.580 -7.914 6.434 1.00 20.55 H new ATOM 0 HG3 ARG A 142 -3.222 -8.944 6.840 1.00 20.55 H new ATOM 0 HD2 ARG A 142 -4.697 -10.930 6.872 1.00 1.41 H new ATOM 0 HD3 ARG A 142 -6.097 -9.923 6.562 1.00 1.41 H new ATOM 0 HE ARG A 142 -4.439 -9.338 4.430 1.00 33.14 H new ATOM 0 HH11 ARG A 142 -5.575 -12.323 5.845 1.00 52.14 H new ATOM 0 HH12 ARG A 142 -5.618 -13.159 4.289 1.00 52.14 H new ATOM 0 HH21 ARG A 142 -4.553 -10.396 2.484 1.00 54.14 H new ATOM 0 HH22 ARG A 142 -5.051 -12.090 2.424 1.00 54.14 H new ATOM 2301 N VAL A 143 -7.706 -9.527 9.664 1.00 32.14 N ATOM 2302 CA VAL A 143 -8.529 -10.138 10.717 1.00 33.00 C ATOM 2303 C VAL A 143 -8.557 -11.676 10.644 1.00 43.25 C ATOM 2304 O VAL A 143 -8.718 -12.349 11.663 1.00 21.41 O ATOM 2305 CB VAL A 143 -9.978 -9.601 10.624 1.00 53.25 C ATOM 2306 CG1 VAL A 143 -10.044 -8.143 11.074 1.00 42.23 C ATOM 2307 CG2 VAL A 143 -10.498 -9.745 9.192 1.00 1.32 C ATOM 0 H VAL A 143 -8.012 -9.750 8.717 1.00 32.14 H new ATOM 0 HA VAL A 143 -8.074 -9.865 11.669 1.00 33.00 H new ATOM 0 HB VAL A 143 -10.611 -10.189 11.289 1.00 53.25 H new ATOM 0 HG11 VAL A 143 -11.071 -7.786 11.001 1.00 42.23 H new ATOM 0 HG12 VAL A 143 -9.706 -8.065 12.107 1.00 42.23 H new ATOM 0 HG13 VAL A 143 -9.402 -7.536 10.436 1.00 42.23 H new ATOM 0 HG21 VAL A 143 -11.518 -9.365 9.135 1.00 1.32 H new ATOM 0 HG22 VAL A 143 -9.861 -9.177 8.515 1.00 1.32 H new ATOM 0 HG23 VAL A 143 -10.486 -10.796 8.905 1.00 1.32 H new