USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 963 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 TYR OH : rot 70:sc= 0.886 USER MOD Set 1.2: A 47 LYS NZ :NH3+ -131:sc= 0.288 (180deg=-1.2) USER MOD Set 2.1: A 14 CYS SG : rot 100:sc= 0.708 USER MOD Set 2.2: A 51 GLN : amide:sc= 0.492 K(o=1.2,f=-0.91) USER MOD Set 3.1: A 11 LYS NZ :NH3+ -177:sc= 0.952 (180deg=0.0096) USER MOD Set 3.2: A 22 THR OG1 : rot -50:sc= 0.762 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 142:sc= 1.08 (180deg=0.624) USER MOD Single : A 4 LYS NZ :NH3+ -163:sc= -0.117 (180deg=-0.406) USER MOD Single : A 16 ASN : amide:sc= -0.136 K(o=-0.14,f=-6.5!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 6:sc= 0.288 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 108:sc= 0.471 USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= -0.016 (180deg=-0.26) USER MOD Single : A 34 LYS NZ :NH3+ 164:sc= -0.0232 (180deg=-0.223) USER MOD Single : A 38 LYS NZ :NH3+ -169:sc= 0.146 (180deg=0.047) USER MOD Single : A 39 LYS NZ :NH3+ -170:sc=-0.00244 (180deg=-0.135) USER MOD Single : A 43 LYS NZ :NH3+ -124:sc= 0.761 (180deg=0.0664) USER MOD Single : A 49 LYS NZ :NH3+ 148:sc= 0.747 (180deg=0.224) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot 16:sc= -4.8! USER MOD Single : A 54 LYS NZ :NH3+ -121:sc= 0.208 (180deg=-0.778) USER MOD Single : A 57 LYS NZ :NH3+ -111:sc= 0.966 (180deg=-0.13) USER MOD Single : A 62 LYS NZ :NH3+ -102:sc= 1.27 (180deg=-0.232) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -128:sc= 0.427 (180deg=-0.235) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0.825 K(o=0.82,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0.055 X(o=0.055,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -146:sc= 0.956 (180deg=0.234) USER MOD Single : A 92 GLN : amide:sc= -0.0142 X(o=-0.014,f=-0.013) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= -0.422 X(o=-0.42,f=-0.35) USER MOD Single : A 114 HIS : no HE2:sc=-0.00292 K(o=-0.0029,f=-0.88) USER MOD Single : A 115 HIS : no HD1:sc= -0.0123 X(o=-0.012,f=-0.0076) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.721 -27.698 -7.567 1.00 24.43 N ATOM 2 CA MET A 1 9.631 -27.959 -8.540 1.00 21.20 C ATOM 3 C MET A 1 8.385 -27.160 -8.136 1.00 75.42 C ATOM 4 O MET A 1 7.944 -26.260 -8.863 1.00 54.21 O ATOM 5 CB MET A 1 9.306 -29.479 -8.633 1.00 30.25 C ATOM 6 CG MET A 1 10.472 -30.362 -9.108 1.00 44.45 C ATOM 7 SD MET A 1 11.865 -30.361 -7.958 1.00 4.22 S ATOM 8 CE MET A 1 12.964 -31.563 -8.709 1.00 21.31 C ATOM 0 H1 MET A 1 11.252 -28.576 -7.397 1.00 24.43 H new ATOM 0 H2 MET A 1 11.362 -26.974 -7.950 1.00 24.43 H new ATOM 0 H3 MET A 1 10.314 -27.361 -6.671 1.00 24.43 H new ATOM 0 HA MET A 1 9.960 -27.638 -9.528 1.00 21.20 H new ATOM 0 HB2 MET A 1 8.982 -29.827 -7.652 1.00 30.25 H new ATOM 0 HB3 MET A 1 8.465 -29.615 -9.314 1.00 30.25 H new ATOM 0 HG2 MET A 1 10.117 -31.384 -9.241 1.00 44.45 H new ATOM 0 HG3 MET A 1 10.812 -30.013 -10.083 1.00 44.45 H new ATOM 0 HE1 MET A 1 13.864 -31.662 -8.103 1.00 21.31 H new ATOM 0 HE2 MET A 1 12.460 -32.528 -8.771 1.00 21.31 H new ATOM 0 HE3 MET A 1 13.236 -31.231 -9.711 1.00 21.31 H new ATOM 20 N ALA A 2 7.815 -27.508 -6.968 1.00 43.12 N ATOM 21 CA ALA A 2 6.675 -26.787 -6.383 1.00 32.05 C ATOM 22 C ALA A 2 7.155 -25.546 -5.618 1.00 13.40 C ATOM 23 O ALA A 2 8.288 -25.511 -5.108 1.00 60.42 O ATOM 24 CB ALA A 2 5.877 -27.715 -5.452 1.00 33.02 C ATOM 0 H ALA A 2 8.133 -28.297 -6.405 1.00 43.12 H new ATOM 0 HA ALA A 2 6.022 -26.460 -7.192 1.00 32.05 H new ATOM 0 HB1 ALA A 2 5.036 -27.168 -5.026 1.00 33.02 H new ATOM 0 HB2 ALA A 2 5.505 -28.568 -6.020 1.00 33.02 H new ATOM 0 HB3 ALA A 2 6.524 -28.069 -4.649 1.00 33.02 H new ATOM 30 N GLY A 3 6.286 -24.537 -5.547 1.00 52.21 N ATOM 31 CA GLY A 3 6.582 -23.316 -4.818 1.00 64.43 C ATOM 32 C GLY A 3 5.532 -22.248 -5.037 1.00 64.30 C ATOM 33 O GLY A 3 4.810 -22.270 -6.037 1.00 44.03 O ATOM 0 H GLY A 3 5.368 -24.548 -5.990 1.00 52.21 H new ATOM 0 HA2 GLY A 3 6.654 -23.539 -3.754 1.00 64.43 H new ATOM 0 HA3 GLY A 3 7.555 -22.936 -5.130 1.00 64.43 H new ATOM 37 N LYS A 4 5.433 -21.313 -4.098 1.00 32.13 N ATOM 38 CA LYS A 4 4.504 -20.167 -4.188 1.00 13.22 C ATOM 39 C LYS A 4 5.313 -18.873 -4.267 1.00 51.44 C ATOM 40 O LYS A 4 6.443 -18.820 -3.763 1.00 33.43 O ATOM 41 CB LYS A 4 3.563 -20.157 -2.956 1.00 74.52 C ATOM 42 CG LYS A 4 4.307 -20.100 -1.612 1.00 61.14 C ATOM 43 CD LYS A 4 3.368 -20.182 -0.395 1.00 2.12 C ATOM 44 CE LYS A 4 4.152 -20.254 0.920 1.00 1.13 C ATOM 45 NZ LYS A 4 5.051 -21.440 0.957 1.00 41.41 N ATOM 0 H LYS A 4 5.993 -21.319 -3.245 1.00 32.13 H new ATOM 0 HA LYS A 4 3.890 -20.254 -5.084 1.00 13.22 H new ATOM 0 HB2 LYS A 4 2.894 -19.300 -3.028 1.00 74.52 H new ATOM 0 HB3 LYS A 4 2.939 -21.051 -2.979 1.00 74.52 H new ATOM 0 HG2 LYS A 4 5.024 -20.920 -1.566 1.00 61.14 H new ATOM 0 HG3 LYS A 4 4.879 -19.174 -1.560 1.00 61.14 H new ATOM 0 HD2 LYS A 4 2.713 -19.311 -0.381 1.00 2.12 H new ATOM 0 HD3 LYS A 4 2.729 -21.060 -0.487 1.00 2.12 H new ATOM 0 HE2 LYS A 4 4.742 -19.346 1.043 1.00 1.13 H new ATOM 0 HE3 LYS A 4 3.456 -20.298 1.758 1.00 1.13 H new ATOM 0 HZ1 LYS A 4 5.342 -21.624 1.938 1.00 41.41 H new ATOM 0 HZ2 LYS A 4 4.547 -22.270 0.584 1.00 41.41 H new ATOM 0 HZ3 LYS A 4 5.893 -21.256 0.375 1.00 41.41 H new ATOM 59 N GLU A 5 4.751 -17.833 -4.893 1.00 51.00 N ATOM 60 CA GLU A 5 5.431 -16.536 -5.006 1.00 14.31 C ATOM 61 C GLU A 5 4.403 -15.429 -5.251 1.00 43.21 C ATOM 62 O GLU A 5 4.075 -15.107 -6.394 1.00 44.41 O ATOM 63 CB GLU A 5 6.508 -16.575 -6.136 1.00 51.11 C ATOM 64 CG GLU A 5 7.541 -15.421 -6.092 1.00 1.15 C ATOM 65 CD GLU A 5 8.549 -15.559 -4.932 1.00 22.53 C ATOM 66 OE1 GLU A 5 8.174 -15.327 -3.760 1.00 63.43 O ATOM 67 OE2 GLU A 5 9.724 -15.903 -5.182 1.00 61.02 O ATOM 0 H GLU A 5 3.829 -17.863 -5.329 1.00 51.00 H new ATOM 0 HA GLU A 5 5.947 -16.322 -4.070 1.00 14.31 H new ATOM 0 HB2 GLU A 5 7.042 -17.524 -6.077 1.00 51.11 H new ATOM 0 HB3 GLU A 5 6.002 -16.554 -7.101 1.00 51.11 H new ATOM 0 HG2 GLU A 5 8.084 -15.391 -7.037 1.00 1.15 H new ATOM 0 HG3 GLU A 5 7.014 -14.472 -5.997 1.00 1.15 H new ATOM 74 N LEU A 6 3.842 -14.897 -4.161 1.00 74.14 N ATOM 75 CA LEU A 6 2.883 -13.787 -4.203 1.00 42.14 C ATOM 76 C LEU A 6 3.672 -12.479 -4.126 1.00 13.03 C ATOM 77 O LEU A 6 4.124 -12.100 -3.043 1.00 70.23 O ATOM 78 CB LEU A 6 1.875 -13.884 -3.016 1.00 52.11 C ATOM 79 CG LEU A 6 0.777 -15.001 -3.091 1.00 12.20 C ATOM 80 CD1 LEU A 6 1.360 -16.427 -3.220 1.00 60.34 C ATOM 81 CD2 LEU A 6 -0.166 -14.906 -1.877 1.00 24.11 C ATOM 0 H LEU A 6 4.042 -15.227 -3.217 1.00 74.14 H new ATOM 0 HA LEU A 6 2.307 -13.827 -5.127 1.00 42.14 H new ATOM 0 HB2 LEU A 6 2.447 -14.035 -2.100 1.00 52.11 H new ATOM 0 HB3 LEU A 6 1.371 -12.922 -2.923 1.00 52.11 H new ATOM 0 HG LEU A 6 0.212 -14.821 -4.005 1.00 12.20 H new ATOM 0 HD11 LEU A 6 0.546 -17.150 -3.267 1.00 60.34 H new ATOM 0 HD12 LEU A 6 1.958 -16.495 -4.129 1.00 60.34 H new ATOM 0 HD13 LEU A 6 1.988 -16.643 -2.356 1.00 60.34 H new ATOM 0 HD21 LEU A 6 -0.923 -15.687 -1.942 1.00 24.11 H new ATOM 0 HD22 LEU A 6 0.408 -15.033 -0.959 1.00 24.11 H new ATOM 0 HD23 LEU A 6 -0.652 -13.930 -1.869 1.00 24.11 H new ATOM 93 N ARG A 7 3.879 -11.808 -5.266 1.00 21.12 N ATOM 94 CA ARG A 7 4.654 -10.557 -5.301 1.00 24.32 C ATOM 95 C ARG A 7 3.732 -9.353 -5.071 1.00 24.13 C ATOM 96 O ARG A 7 2.714 -9.200 -5.754 1.00 42.41 O ATOM 97 CB ARG A 7 5.411 -10.396 -6.642 1.00 32.11 C ATOM 98 CG ARG A 7 6.394 -9.198 -6.667 1.00 15.42 C ATOM 99 CD ARG A 7 6.976 -8.935 -8.056 1.00 2.21 C ATOM 100 NE ARG A 7 5.919 -8.593 -9.024 1.00 25.34 N ATOM 101 CZ ARG A 7 5.659 -7.359 -9.491 1.00 5.12 C ATOM 102 NH1 ARG A 7 6.391 -6.321 -9.102 1.00 43.30 N ATOM 103 NH2 ARG A 7 4.676 -7.167 -10.357 1.00 55.11 N ATOM 0 H ARG A 7 3.523 -12.107 -6.174 1.00 21.12 H new ATOM 0 HA ARG A 7 5.392 -10.602 -4.501 1.00 24.32 H new ATOM 0 HB2 ARG A 7 5.964 -11.312 -6.848 1.00 32.11 H new ATOM 0 HB3 ARG A 7 4.685 -10.275 -7.446 1.00 32.11 H new ATOM 0 HG2 ARG A 7 5.877 -8.303 -6.320 1.00 15.42 H new ATOM 0 HG3 ARG A 7 7.208 -9.388 -5.967 1.00 15.42 H new ATOM 0 HD2 ARG A 7 7.699 -8.121 -8.001 1.00 2.21 H new ATOM 0 HD3 ARG A 7 7.515 -9.818 -8.400 1.00 2.21 H new ATOM 0 HE ARG A 7 5.336 -9.356 -9.369 1.00 25.34 H new ATOM 0 HH11 ARG A 7 7.158 -6.456 -8.443 1.00 43.30 H new ATOM 0 HH12 ARG A 7 6.186 -5.389 -9.462 1.00 43.30 H new ATOM 0 HH21 ARG A 7 4.113 -7.957 -10.672 1.00 55.11 H new ATOM 0 HH22 ARG A 7 4.482 -6.229 -10.709 1.00 55.11 H new ATOM 117 N VAL A 8 4.089 -8.511 -4.096 1.00 20.41 N ATOM 118 CA VAL A 8 3.380 -7.260 -3.814 1.00 4.30 C ATOM 119 C VAL A 8 4.186 -6.109 -4.432 1.00 33.11 C ATOM 120 O VAL A 8 5.330 -5.871 -4.025 1.00 22.12 O ATOM 121 CB VAL A 8 3.212 -7.002 -2.269 1.00 60.22 C ATOM 122 CG1 VAL A 8 2.056 -6.019 -1.987 1.00 52.14 C ATOM 123 CG2 VAL A 8 3.049 -8.315 -1.476 1.00 73.32 C ATOM 0 H VAL A 8 4.882 -8.680 -3.477 1.00 20.41 H new ATOM 0 HA VAL A 8 2.380 -7.326 -4.242 1.00 4.30 H new ATOM 0 HB VAL A 8 4.133 -6.536 -1.919 1.00 60.22 H new ATOM 0 HG11 VAL A 8 1.966 -5.862 -0.912 1.00 52.14 H new ATOM 0 HG12 VAL A 8 2.260 -5.067 -2.477 1.00 52.14 H new ATOM 0 HG13 VAL A 8 1.124 -6.433 -2.372 1.00 52.14 H new ATOM 0 HG21 VAL A 8 2.936 -8.088 -0.416 1.00 73.32 H new ATOM 0 HG22 VAL A 8 2.165 -8.846 -1.829 1.00 73.32 H new ATOM 0 HG23 VAL A 8 3.930 -8.940 -1.622 1.00 73.32 H new ATOM 133 N GLU A 9 3.599 -5.416 -5.409 1.00 3.21 N ATOM 134 CA GLU A 9 4.247 -4.289 -6.084 1.00 65.25 C ATOM 135 C GLU A 9 3.605 -2.989 -5.598 1.00 72.22 C ATOM 136 O GLU A 9 2.540 -2.600 -6.080 1.00 74.23 O ATOM 137 CB GLU A 9 4.092 -4.412 -7.622 1.00 61.15 C ATOM 138 CG GLU A 9 4.808 -3.298 -8.416 1.00 74.35 C ATOM 139 CD GLU A 9 4.479 -3.330 -9.915 1.00 32.51 C ATOM 140 OE1 GLU A 9 4.973 -4.229 -10.619 1.00 12.24 O ATOM 141 OE2 GLU A 9 3.724 -2.466 -10.398 1.00 14.24 O ATOM 0 H GLU A 9 2.661 -5.620 -5.755 1.00 3.21 H new ATOM 0 HA GLU A 9 5.311 -4.291 -5.848 1.00 65.25 H new ATOM 0 HB2 GLU A 9 4.482 -5.379 -7.940 1.00 61.15 H new ATOM 0 HB3 GLU A 9 3.031 -4.398 -7.872 1.00 61.15 H new ATOM 0 HG2 GLU A 9 4.525 -2.328 -8.007 1.00 74.35 H new ATOM 0 HG3 GLU A 9 5.885 -3.398 -8.283 1.00 74.35 H new ATOM 148 N ILE A 10 4.235 -2.307 -4.634 1.00 35.34 N ATOM 149 CA ILE A 10 3.695 -1.032 -4.145 1.00 0.14 C ATOM 150 C ILE A 10 4.326 0.089 -4.976 1.00 42.52 C ATOM 151 O ILE A 10 5.519 0.357 -4.871 1.00 52.14 O ATOM 152 CB ILE A 10 3.996 -0.791 -2.618 1.00 42.54 C ATOM 153 CG1 ILE A 10 3.494 -1.993 -1.754 1.00 61.35 C ATOM 154 CG2 ILE A 10 3.363 0.552 -2.139 1.00 1.33 C ATOM 155 CD1 ILE A 10 2.004 -2.232 -1.800 1.00 33.01 C ATOM 0 H ILE A 10 5.100 -2.607 -4.185 1.00 35.34 H new ATOM 0 HA ILE A 10 2.610 -1.051 -4.250 1.00 0.14 H new ATOM 0 HB ILE A 10 5.076 -0.719 -2.489 1.00 42.54 H new ATOM 0 HG12 ILE A 10 4.003 -2.898 -2.087 1.00 61.35 H new ATOM 0 HG13 ILE A 10 3.788 -1.825 -0.718 1.00 61.35 H new ATOM 0 HG21 ILE A 10 3.582 0.701 -1.082 1.00 1.33 H new ATOM 0 HG22 ILE A 10 3.781 1.377 -2.716 1.00 1.33 H new ATOM 0 HG23 ILE A 10 2.283 0.518 -2.285 1.00 1.33 H new ATOM 0 HD11 ILE A 10 1.753 -3.085 -1.170 1.00 33.01 H new ATOM 0 HD12 ILE A 10 1.482 -1.347 -1.437 1.00 33.01 H new ATOM 0 HD13 ILE A 10 1.700 -2.437 -2.826 1.00 33.01 H new ATOM 167 N LYS A 11 3.502 0.738 -5.785 1.00 1.50 N ATOM 168 CA LYS A 11 3.932 1.794 -6.700 1.00 32.04 C ATOM 169 C LYS A 11 3.669 3.139 -5.999 1.00 54.45 C ATOM 170 O LYS A 11 2.529 3.471 -5.705 1.00 2.34 O ATOM 171 CB LYS A 11 3.141 1.675 -8.056 1.00 12.45 C ATOM 172 CG LYS A 11 3.949 2.005 -9.329 1.00 54.50 C ATOM 173 CD LYS A 11 4.624 3.391 -9.301 1.00 60.13 C ATOM 174 CE LYS A 11 5.423 3.664 -10.583 1.00 41.00 C ATOM 175 NZ LYS A 11 6.364 2.545 -10.898 1.00 64.33 N ATOM 0 H LYS A 11 2.501 0.546 -5.828 1.00 1.50 H new ATOM 0 HA LYS A 11 4.992 1.711 -6.941 1.00 32.04 H new ATOM 0 HB2 LYS A 11 2.757 0.659 -8.144 1.00 12.45 H new ATOM 0 HB3 LYS A 11 2.278 2.339 -8.012 1.00 12.45 H new ATOM 0 HG2 LYS A 11 4.715 1.242 -9.469 1.00 54.50 H new ATOM 0 HG3 LYS A 11 3.285 1.953 -10.192 1.00 54.50 H new ATOM 0 HD2 LYS A 11 3.864 4.162 -9.175 1.00 60.13 H new ATOM 0 HD3 LYS A 11 5.288 3.454 -8.439 1.00 60.13 H new ATOM 0 HE2 LYS A 11 4.735 3.807 -11.417 1.00 41.00 H new ATOM 0 HE3 LYS A 11 5.985 4.591 -10.471 1.00 41.00 H new ATOM 0 HZ1 LYS A 11 6.922 2.788 -11.741 1.00 64.33 H new ATOM 0 HZ2 LYS A 11 7.003 2.392 -10.092 1.00 64.33 H new ATOM 0 HZ3 LYS A 11 5.822 1.676 -11.080 1.00 64.33 H new ATOM 189 N ILE A 12 4.733 3.876 -5.682 1.00 51.03 N ATOM 190 CA ILE A 12 4.632 5.238 -5.127 1.00 14.02 C ATOM 191 C ILE A 12 5.153 6.227 -6.180 1.00 14.44 C ATOM 192 O ILE A 12 6.276 6.074 -6.680 1.00 4.01 O ATOM 193 CB ILE A 12 5.445 5.384 -3.776 1.00 0.34 C ATOM 194 CG1 ILE A 12 4.936 4.364 -2.699 1.00 52.21 C ATOM 195 CG2 ILE A 12 5.406 6.841 -3.232 1.00 32.41 C ATOM 196 CD1 ILE A 12 3.503 4.546 -2.265 1.00 1.01 C ATOM 0 H ILE A 12 5.693 3.551 -5.800 1.00 51.03 H new ATOM 0 HA ILE A 12 3.589 5.450 -4.890 1.00 14.02 H new ATOM 0 HB ILE A 12 6.486 5.150 -3.997 1.00 0.34 H new ATOM 0 HG12 ILE A 12 5.053 3.355 -3.094 1.00 52.21 H new ATOM 0 HG13 ILE A 12 5.577 4.439 -1.820 1.00 52.21 H new ATOM 0 HG21 ILE A 12 5.975 6.898 -2.304 1.00 32.41 H new ATOM 0 HG22 ILE A 12 5.843 7.516 -3.968 1.00 32.41 H new ATOM 0 HG23 ILE A 12 4.373 7.131 -3.042 1.00 32.41 H new ATOM 0 HD11 ILE A 12 3.250 3.792 -1.520 1.00 1.01 H new ATOM 0 HD12 ILE A 12 3.377 5.539 -1.834 1.00 1.01 H new ATOM 0 HD13 ILE A 12 2.845 4.439 -3.127 1.00 1.01 H new ATOM 208 N ASP A 13 4.314 7.193 -6.557 1.00 42.02 N ATOM 209 CA ASP A 13 4.724 8.325 -7.388 1.00 73.25 C ATOM 210 C ASP A 13 4.883 9.534 -6.469 1.00 34.02 C ATOM 211 O ASP A 13 3.886 10.085 -5.981 1.00 3.13 O ATOM 212 CB ASP A 13 3.704 8.596 -8.519 1.00 73.31 C ATOM 213 CG ASP A 13 4.009 9.880 -9.315 1.00 23.20 C ATOM 214 OD1 ASP A 13 4.863 9.836 -10.221 1.00 60.33 O ATOM 215 OD2 ASP A 13 3.407 10.940 -9.018 1.00 64.25 O ATOM 0 H ASP A 13 3.329 7.212 -6.294 1.00 42.02 H new ATOM 0 HA ASP A 13 5.669 8.106 -7.885 1.00 73.25 H new ATOM 0 HB2 ASP A 13 3.694 7.746 -9.202 1.00 73.31 H new ATOM 0 HB3 ASP A 13 2.705 8.671 -8.089 1.00 73.31 H new ATOM 220 N CYS A 14 6.138 9.942 -6.248 1.00 45.30 N ATOM 221 CA CYS A 14 6.505 11.024 -5.317 1.00 1.32 C ATOM 222 C CYS A 14 6.352 12.423 -5.960 1.00 45.04 C ATOM 223 O CYS A 14 6.900 13.407 -5.457 1.00 63.24 O ATOM 224 CB CYS A 14 7.950 10.774 -4.828 1.00 24.01 C ATOM 225 SG CYS A 14 9.146 10.511 -6.166 1.00 61.14 S ATOM 0 H CYS A 14 6.942 9.525 -6.717 1.00 45.30 H new ATOM 0 HA CYS A 14 5.823 11.014 -4.467 1.00 1.32 H new ATOM 0 HB2 CYS A 14 8.272 11.625 -4.229 1.00 24.01 H new ATOM 0 HB3 CYS A 14 7.955 9.903 -4.173 1.00 24.01 H new ATOM 0 HG CYS A 14 9.810 11.608 -6.376 1.00 61.14 H new ATOM 231 N GLY A 15 5.558 12.507 -7.049 1.00 40.03 N ATOM 232 CA GLY A 15 5.444 13.721 -7.857 1.00 21.21 C ATOM 233 C GLY A 15 6.442 13.731 -9.003 1.00 0.55 C ATOM 234 O GLY A 15 6.275 14.470 -9.978 1.00 73.24 O ATOM 0 H GLY A 15 4.984 11.734 -7.384 1.00 40.03 H new ATOM 0 HA2 GLY A 15 4.432 13.799 -8.255 1.00 21.21 H new ATOM 0 HA3 GLY A 15 5.606 14.595 -7.226 1.00 21.21 H new ATOM 238 N ASN A 16 7.504 12.917 -8.869 1.00 21.33 N ATOM 239 CA ASN A 16 8.547 12.768 -9.889 1.00 74.44 C ATOM 240 C ASN A 16 8.304 11.447 -10.644 1.00 43.32 C ATOM 241 O ASN A 16 8.620 10.370 -10.131 1.00 73.45 O ATOM 242 CB ASN A 16 9.957 12.793 -9.221 1.00 75.44 C ATOM 243 CG ASN A 16 11.089 13.003 -10.235 1.00 64.41 C ATOM 244 OD1 ASN A 16 11.647 12.055 -10.775 1.00 62.33 O ATOM 245 ND2 ASN A 16 11.425 14.255 -10.505 1.00 13.40 N ATOM 0 H ASN A 16 7.660 12.341 -8.042 1.00 21.33 H new ATOM 0 HA ASN A 16 8.508 13.595 -10.598 1.00 74.44 H new ATOM 0 HB2 ASN A 16 9.988 13.590 -8.478 1.00 75.44 H new ATOM 0 HB3 ASN A 16 10.120 11.855 -8.690 1.00 75.44 H new ATOM 0 HD21 ASN A 16 12.166 14.450 -11.178 1.00 13.40 H new ATOM 0 HD22 ASN A 16 10.943 15.024 -10.040 1.00 13.40 H new ATOM 252 N ASP A 17 7.696 11.546 -11.840 1.00 43.52 N ATOM 253 CA ASP A 17 7.369 10.387 -12.702 1.00 2.33 C ATOM 254 C ASP A 17 8.636 9.643 -13.153 1.00 43.34 C ATOM 255 O ASP A 17 8.593 8.438 -13.403 1.00 14.13 O ATOM 256 CB ASP A 17 6.567 10.864 -13.941 1.00 70.41 C ATOM 257 CG ASP A 17 6.080 9.717 -14.852 1.00 52.55 C ATOM 258 OD1 ASP A 17 4.977 9.185 -14.603 1.00 11.20 O ATOM 259 OD2 ASP A 17 6.791 9.343 -15.819 1.00 71.32 O ATOM 0 H ASP A 17 7.414 12.440 -12.242 1.00 43.52 H new ATOM 0 HA ASP A 17 6.764 9.693 -12.118 1.00 2.33 H new ATOM 0 HB2 ASP A 17 5.704 11.438 -13.604 1.00 70.41 H new ATOM 0 HB3 ASP A 17 7.190 11.540 -14.527 1.00 70.41 H new ATOM 264 N ASP A 18 9.751 10.392 -13.273 1.00 52.35 N ATOM 265 CA ASP A 18 11.050 9.851 -13.725 1.00 32.11 C ATOM 266 C ASP A 18 11.564 8.785 -12.747 1.00 3.33 C ATOM 267 O ASP A 18 11.813 7.631 -13.126 1.00 54.42 O ATOM 268 CB ASP A 18 12.106 10.987 -13.867 1.00 21.20 C ATOM 269 CG ASP A 18 11.673 12.096 -14.834 1.00 51.11 C ATOM 270 OD1 ASP A 18 10.832 12.930 -14.450 1.00 61.14 O ATOM 271 OD2 ASP A 18 12.153 12.141 -15.984 1.00 21.42 O ATOM 0 H ASP A 18 9.777 11.389 -13.059 1.00 52.35 H new ATOM 0 HA ASP A 18 10.897 9.391 -14.701 1.00 32.11 H new ATOM 0 HB2 ASP A 18 12.296 11.423 -12.886 1.00 21.20 H new ATOM 0 HB3 ASP A 18 13.047 10.559 -14.213 1.00 21.20 H new ATOM 276 N LYS A 19 11.702 9.191 -11.475 1.00 23.55 N ATOM 277 CA LYS A 19 12.274 8.362 -10.406 1.00 61.45 C ATOM 278 C LYS A 19 11.148 7.644 -9.664 1.00 25.21 C ATOM 279 O LYS A 19 10.711 8.061 -8.585 1.00 14.25 O ATOM 280 CB LYS A 19 13.150 9.234 -9.470 1.00 22.13 C ATOM 281 CG LYS A 19 14.343 9.881 -10.197 1.00 12.21 C ATOM 282 CD LYS A 19 15.173 10.808 -9.285 1.00 2.30 C ATOM 283 CE LYS A 19 16.375 11.425 -10.015 1.00 61.22 C ATOM 284 NZ LYS A 19 17.133 12.367 -9.150 1.00 50.42 N ATOM 0 H LYS A 19 11.415 10.117 -11.157 1.00 23.55 H new ATOM 0 HA LYS A 19 12.927 7.598 -10.827 1.00 61.45 H new ATOM 0 HB2 LYS A 19 12.533 10.016 -9.028 1.00 22.13 H new ATOM 0 HB3 LYS A 19 13.521 8.619 -8.650 1.00 22.13 H new ATOM 0 HG2 LYS A 19 14.989 9.097 -10.593 1.00 12.21 H new ATOM 0 HG3 LYS A 19 13.976 10.453 -11.049 1.00 12.21 H new ATOM 0 HD2 LYS A 19 14.534 11.605 -8.904 1.00 2.30 H new ATOM 0 HD3 LYS A 19 15.526 10.243 -8.422 1.00 2.30 H new ATOM 0 HE2 LYS A 19 17.040 10.630 -10.354 1.00 61.22 H new ATOM 0 HE3 LYS A 19 16.027 11.950 -10.904 1.00 61.22 H new ATOM 0 HZ1 LYS A 19 17.935 12.759 -9.683 1.00 50.42 H new ATOM 0 HZ2 LYS A 19 16.507 13.140 -8.847 1.00 50.42 H new ATOM 0 HZ3 LYS A 19 17.488 11.861 -8.313 1.00 50.42 H new ATOM 298 N GLU A 20 10.656 6.583 -10.314 1.00 1.53 N ATOM 299 CA GLU A 20 9.552 5.759 -9.811 1.00 24.14 C ATOM 300 C GLU A 20 10.023 4.957 -8.587 1.00 61.24 C ATOM 301 O GLU A 20 10.932 4.129 -8.709 1.00 75.01 O ATOM 302 CB GLU A 20 9.082 4.800 -10.937 1.00 51.31 C ATOM 303 CG GLU A 20 8.658 5.518 -12.239 1.00 54.22 C ATOM 304 CD GLU A 20 8.386 4.568 -13.419 1.00 44.31 C ATOM 305 OE1 GLU A 20 7.467 3.743 -13.320 1.00 35.44 O ATOM 306 OE2 GLU A 20 9.079 4.642 -14.458 1.00 64.31 O ATOM 0 H GLU A 20 11.018 6.269 -11.215 1.00 1.53 H new ATOM 0 HA GLU A 20 8.719 6.395 -9.511 1.00 24.14 H new ATOM 0 HB2 GLU A 20 9.887 4.102 -11.165 1.00 51.31 H new ATOM 0 HB3 GLU A 20 8.243 4.209 -10.570 1.00 51.31 H new ATOM 0 HG2 GLU A 20 7.760 6.103 -12.043 1.00 54.22 H new ATOM 0 HG3 GLU A 20 9.440 6.221 -12.525 1.00 54.22 H new ATOM 313 N THR A 21 9.410 5.204 -7.419 1.00 61.30 N ATOM 314 CA THR A 21 9.751 4.492 -6.186 1.00 44.35 C ATOM 315 C THR A 21 8.768 3.333 -6.026 1.00 61.40 C ATOM 316 O THR A 21 7.612 3.539 -5.674 1.00 33.20 O ATOM 317 CB THR A 21 9.729 5.450 -4.940 1.00 21.50 C ATOM 318 OG1 THR A 21 8.482 6.154 -4.837 1.00 33.31 O ATOM 319 CG2 THR A 21 10.864 6.483 -5.003 1.00 60.02 C ATOM 0 H THR A 21 8.671 5.898 -7.307 1.00 61.30 H new ATOM 0 HA THR A 21 10.769 4.106 -6.249 1.00 44.35 H new ATOM 0 HB THR A 21 9.862 4.814 -4.065 1.00 21.50 H new ATOM 0 HG1 THR A 21 7.861 5.820 -5.517 1.00 33.31 H new ATOM 0 HG21 THR A 21 10.818 7.128 -4.126 1.00 60.02 H new ATOM 0 HG22 THR A 21 11.824 5.968 -5.024 1.00 60.02 H new ATOM 0 HG23 THR A 21 10.756 7.087 -5.904 1.00 60.02 H new ATOM 327 N THR A 22 9.235 2.118 -6.308 1.00 23.11 N ATOM 328 CA THR A 22 8.370 0.942 -6.418 1.00 34.14 C ATOM 329 C THR A 22 8.978 -0.196 -5.596 1.00 25.24 C ATOM 330 O THR A 22 10.150 -0.530 -5.784 1.00 55.25 O ATOM 331 CB THR A 22 8.222 0.529 -7.916 1.00 14.32 C ATOM 332 OG1 THR A 22 8.062 1.713 -8.723 1.00 44.03 O ATOM 333 CG2 THR A 22 7.025 -0.405 -8.143 1.00 30.24 C ATOM 0 H THR A 22 10.223 1.920 -6.467 1.00 23.11 H new ATOM 0 HA THR A 22 7.377 1.170 -6.032 1.00 34.14 H new ATOM 0 HB THR A 22 9.124 -0.012 -8.202 1.00 14.32 H new ATOM 0 HG1 THR A 22 7.359 2.278 -8.339 1.00 44.03 H new ATOM 0 HG21 THR A 22 6.962 -0.666 -9.200 1.00 30.24 H new ATOM 0 HG22 THR A 22 7.154 -1.312 -7.553 1.00 30.24 H new ATOM 0 HG23 THR A 22 6.108 0.099 -7.838 1.00 30.24 H new ATOM 341 N TYR A 23 8.177 -0.780 -4.694 1.00 0.11 N ATOM 342 CA TYR A 23 8.649 -1.749 -3.693 1.00 32.43 C ATOM 343 C TYR A 23 8.201 -3.148 -4.109 1.00 3.13 C ATOM 344 O TYR A 23 7.014 -3.369 -4.355 1.00 43.33 O ATOM 345 CB TYR A 23 8.049 -1.403 -2.295 1.00 21.34 C ATOM 346 CG TYR A 23 8.305 0.040 -1.831 1.00 5.30 C ATOM 347 CD1 TYR A 23 7.530 1.095 -2.320 1.00 0.54 C ATOM 348 CD2 TYR A 23 9.318 0.354 -0.920 1.00 21.15 C ATOM 349 CE1 TYR A 23 7.754 2.392 -1.927 1.00 43.01 C ATOM 350 CE2 TYR A 23 9.538 1.660 -0.524 1.00 3.45 C ATOM 351 CZ TYR A 23 8.751 2.676 -1.034 1.00 60.45 C ATOM 352 OH TYR A 23 8.966 3.984 -0.646 1.00 41.44 O ATOM 0 H TYR A 23 7.176 -0.592 -4.637 1.00 0.11 H new ATOM 0 HA TYR A 23 9.737 -1.710 -3.631 1.00 32.43 H new ATOM 0 HB2 TYR A 23 6.973 -1.577 -2.322 1.00 21.34 H new ATOM 0 HB3 TYR A 23 8.464 -2.088 -1.556 1.00 21.34 H new ATOM 0 HD1 TYR A 23 6.737 0.886 -3.023 1.00 0.54 H new ATOM 0 HD2 TYR A 23 9.937 -0.435 -0.520 1.00 21.15 H new ATOM 0 HE1 TYR A 23 7.142 3.189 -2.323 1.00 43.01 H new ATOM 0 HE2 TYR A 23 10.323 1.886 0.182 1.00 3.45 H new ATOM 0 HH TYR A 23 8.221 4.286 -0.085 1.00 41.44 H new ATOM 362 N ASP A 24 9.157 -4.082 -4.178 1.00 21.11 N ATOM 363 CA ASP A 24 8.874 -5.496 -4.460 1.00 42.44 C ATOM 364 C ASP A 24 9.083 -6.289 -3.173 1.00 64.41 C ATOM 365 O ASP A 24 10.210 -6.623 -2.801 1.00 51.04 O ATOM 366 CB ASP A 24 9.780 -6.042 -5.590 1.00 15.23 C ATOM 367 CG ASP A 24 9.613 -5.266 -6.901 1.00 13.15 C ATOM 368 OD1 ASP A 24 8.638 -5.520 -7.625 1.00 25.05 O ATOM 369 OD2 ASP A 24 10.438 -4.384 -7.208 1.00 11.31 O ATOM 0 H ASP A 24 10.147 -3.880 -4.040 1.00 21.11 H new ATOM 0 HA ASP A 24 7.844 -5.597 -4.803 1.00 42.44 H new ATOM 0 HB2 ASP A 24 10.822 -5.993 -5.272 1.00 15.23 H new ATOM 0 HB3 ASP A 24 9.548 -7.093 -5.761 1.00 15.23 H new ATOM 374 N LEU A 25 7.976 -6.536 -2.489 1.00 63.11 N ATOM 375 CA LEU A 25 7.917 -7.367 -1.271 1.00 52.12 C ATOM 376 C LEU A 25 7.069 -8.603 -1.586 1.00 12.44 C ATOM 377 O LEU A 25 6.669 -8.803 -2.743 1.00 70.11 O ATOM 378 CB LEU A 25 7.346 -6.575 -0.055 1.00 71.42 C ATOM 379 CG LEU A 25 5.967 -5.863 -0.265 1.00 14.43 C ATOM 380 CD1 LEU A 25 5.206 -5.663 1.052 1.00 72.24 C ATOM 381 CD2 LEU A 25 6.135 -4.510 -0.992 1.00 44.30 C ATOM 0 H LEU A 25 7.068 -6.161 -2.762 1.00 63.11 H new ATOM 0 HA LEU A 25 8.924 -7.669 -0.983 1.00 52.12 H new ATOM 0 HB2 LEU A 25 7.249 -7.263 0.784 1.00 71.42 H new ATOM 0 HB3 LEU A 25 8.078 -5.821 0.234 1.00 71.42 H new ATOM 0 HG LEU A 25 5.373 -6.527 -0.893 1.00 14.43 H new ATOM 0 HD11 LEU A 25 4.257 -5.166 0.852 1.00 72.24 H new ATOM 0 HD12 LEU A 25 5.017 -6.632 1.514 1.00 72.24 H new ATOM 0 HD13 LEU A 25 5.802 -5.049 1.727 1.00 72.24 H new ATOM 0 HD21 LEU A 25 5.159 -4.043 -1.121 1.00 44.30 H new ATOM 0 HD22 LEU A 25 6.775 -3.856 -0.400 1.00 44.30 H new ATOM 0 HD23 LEU A 25 6.590 -4.676 -1.968 1.00 44.30 H new ATOM 393 N TYR A 26 6.800 -9.453 -0.580 1.00 22.41 N ATOM 394 CA TYR A 26 6.132 -10.743 -0.794 1.00 11.12 C ATOM 395 C TYR A 26 5.082 -11.003 0.278 1.00 64.14 C ATOM 396 O TYR A 26 5.341 -10.822 1.478 1.00 23.54 O ATOM 397 CB TYR A 26 7.172 -11.886 -0.847 1.00 42.33 C ATOM 398 CG TYR A 26 8.042 -11.835 -2.111 1.00 24.24 C ATOM 399 CD1 TYR A 26 7.487 -12.107 -3.365 1.00 61.32 C ATOM 400 CD2 TYR A 26 9.392 -11.480 -2.061 1.00 70.11 C ATOM 401 CE1 TYR A 26 8.246 -12.043 -4.512 1.00 45.25 C ATOM 402 CE2 TYR A 26 10.156 -11.417 -3.210 1.00 41.32 C ATOM 403 CZ TYR A 26 9.577 -11.697 -4.435 1.00 21.13 C ATOM 404 OH TYR A 26 10.333 -11.647 -5.584 1.00 4.21 O ATOM 0 H TYR A 26 7.038 -9.266 0.394 1.00 22.41 H new ATOM 0 HA TYR A 26 5.616 -10.706 -1.754 1.00 11.12 H new ATOM 0 HB2 TYR A 26 7.813 -11.830 0.033 1.00 42.33 H new ATOM 0 HB3 TYR A 26 6.655 -12.845 -0.805 1.00 42.33 H new ATOM 0 HD1 TYR A 26 6.443 -12.373 -3.435 1.00 61.32 H new ATOM 0 HD2 TYR A 26 9.846 -11.251 -1.108 1.00 70.11 H new ATOM 0 HE1 TYR A 26 7.799 -12.264 -5.470 1.00 45.25 H new ATOM 0 HE2 TYR A 26 11.201 -11.150 -3.152 1.00 41.32 H new ATOM 0 HH TYR A 26 11.251 -11.386 -5.361 1.00 4.21 H new ATOM 414 N PHE A 27 3.901 -11.434 -0.206 1.00 53.40 N ATOM 415 CA PHE A 27 2.714 -11.791 0.581 1.00 62.23 C ATOM 416 C PHE A 27 2.095 -10.577 1.275 1.00 23.03 C ATOM 417 O PHE A 27 2.775 -9.605 1.631 1.00 22.22 O ATOM 418 CB PHE A 27 2.984 -12.935 1.602 1.00 13.53 C ATOM 419 CG PHE A 27 3.473 -14.236 0.959 1.00 4.10 C ATOM 420 CD1 PHE A 27 4.824 -14.430 0.675 1.00 1.20 C ATOM 421 CD2 PHE A 27 2.584 -15.259 0.628 1.00 41.42 C ATOM 422 CE1 PHE A 27 5.271 -15.585 0.088 1.00 64.23 C ATOM 423 CE2 PHE A 27 3.036 -16.421 0.036 1.00 30.13 C ATOM 424 CZ PHE A 27 4.379 -16.584 -0.233 1.00 42.22 C ATOM 0 H PHE A 27 3.746 -11.547 -1.208 1.00 53.40 H new ATOM 0 HA PHE A 27 1.989 -12.171 -0.139 1.00 62.23 H new ATOM 0 HB2 PHE A 27 3.727 -12.596 2.324 1.00 13.53 H new ATOM 0 HB3 PHE A 27 2.068 -13.137 2.157 1.00 13.53 H new ATOM 0 HD1 PHE A 27 5.533 -13.654 0.923 1.00 1.20 H new ATOM 0 HD2 PHE A 27 1.531 -15.140 0.837 1.00 41.42 H new ATOM 0 HE1 PHE A 27 6.323 -15.712 -0.123 1.00 64.23 H new ATOM 0 HE2 PHE A 27 2.337 -17.204 -0.217 1.00 30.13 H new ATOM 0 HZ PHE A 27 4.731 -17.495 -0.695 1.00 42.22 H new ATOM 434 N SER A 28 0.782 -10.649 1.458 1.00 64.35 N ATOM 435 CA SER A 28 0.009 -9.633 2.169 1.00 75.33 C ATOM 436 C SER A 28 -0.943 -10.328 3.156 1.00 53.03 C ATOM 437 O SER A 28 -2.038 -9.843 3.440 1.00 20.11 O ATOM 438 CB SER A 28 -0.726 -8.743 1.149 1.00 13.53 C ATOM 439 OG SER A 28 0.183 -8.091 0.277 1.00 72.43 O ATOM 0 H SER A 28 0.215 -11.424 1.113 1.00 64.35 H new ATOM 0 HA SER A 28 0.660 -8.980 2.750 1.00 75.33 H new ATOM 0 HB2 SER A 28 -1.418 -9.351 0.566 1.00 13.53 H new ATOM 0 HB3 SER A 28 -1.322 -7.999 1.677 1.00 13.53 H new ATOM 0 HG SER A 28 0.129 -8.496 -0.614 1.00 72.43 H new ATOM 445 N LYS A 29 -0.456 -11.452 3.726 1.00 34.45 N ATOM 446 CA LYS A 29 -1.197 -12.273 4.689 1.00 53.21 C ATOM 447 C LYS A 29 -0.352 -12.515 5.954 1.00 64.30 C ATOM 448 O LYS A 29 0.882 -12.622 5.873 1.00 3.14 O ATOM 449 CB LYS A 29 -1.628 -13.613 4.035 1.00 21.53 C ATOM 450 CG LYS A 29 -0.487 -14.574 3.638 1.00 2.34 C ATOM 451 CD LYS A 29 -1.021 -15.845 2.933 1.00 61.13 C ATOM 452 CE LYS A 29 0.050 -16.935 2.777 1.00 2.01 C ATOM 453 NZ LYS A 29 0.540 -17.422 4.098 1.00 1.24 N ATOM 0 H LYS A 29 0.476 -11.813 3.523 1.00 34.45 H new ATOM 0 HA LYS A 29 -2.099 -11.738 4.987 1.00 53.21 H new ATOM 0 HB2 LYS A 29 -2.291 -14.134 4.726 1.00 21.53 H new ATOM 0 HB3 LYS A 29 -2.212 -13.387 3.143 1.00 21.53 H new ATOM 0 HG2 LYS A 29 0.209 -14.058 2.977 1.00 2.34 H new ATOM 0 HG3 LYS A 29 0.072 -14.861 4.528 1.00 2.34 H new ATOM 0 HD2 LYS A 29 -1.860 -16.245 3.503 1.00 61.13 H new ATOM 0 HD3 LYS A 29 -1.404 -15.575 1.949 1.00 61.13 H new ATOM 0 HE2 LYS A 29 -0.362 -17.771 2.211 1.00 2.01 H new ATOM 0 HE3 LYS A 29 0.888 -16.542 2.201 1.00 2.01 H new ATOM 0 HZ1 LYS A 29 1.045 -18.322 3.971 1.00 1.24 H new ATOM 0 HZ2 LYS A 29 1.185 -16.718 4.510 1.00 1.24 H new ATOM 0 HZ3 LYS A 29 -0.268 -17.566 4.736 1.00 1.24 H new ATOM 467 N ALA A 30 -1.048 -12.582 7.112 1.00 2.22 N ATOM 468 CA ALA A 30 -0.457 -12.809 8.452 1.00 42.33 C ATOM 469 C ALA A 30 0.292 -11.567 8.978 1.00 14.15 C ATOM 470 O ALA A 30 0.564 -10.610 8.235 1.00 52.02 O ATOM 471 CB ALA A 30 0.440 -14.075 8.502 1.00 23.40 C ATOM 0 H ALA A 30 -2.062 -12.477 7.142 1.00 2.22 H new ATOM 0 HA ALA A 30 -1.297 -12.989 9.123 1.00 42.33 H new ATOM 0 HB1 ALA A 30 0.847 -14.193 9.506 1.00 23.40 H new ATOM 0 HB2 ALA A 30 -0.154 -14.952 8.246 1.00 23.40 H new ATOM 0 HB3 ALA A 30 1.258 -13.970 7.789 1.00 23.40 H new ATOM 477 N GLU A 31 0.633 -11.622 10.291 1.00 32.22 N ATOM 478 CA GLU A 31 1.339 -10.545 11.020 1.00 74.31 C ATOM 479 C GLU A 31 2.734 -10.258 10.425 1.00 53.15 C ATOM 480 O GLU A 31 3.256 -9.145 10.552 1.00 22.45 O ATOM 481 CB GLU A 31 1.450 -10.914 12.521 1.00 34.02 C ATOM 482 CG GLU A 31 2.246 -12.205 12.815 1.00 13.20 C ATOM 483 CD GLU A 31 2.155 -12.642 14.287 1.00 34.34 C ATOM 484 OE1 GLU A 31 1.110 -13.198 14.683 1.00 23.30 O ATOM 485 OE2 GLU A 31 3.111 -12.421 15.059 1.00 64.25 O ATOM 0 H GLU A 31 0.421 -12.429 10.878 1.00 32.22 H new ATOM 0 HA GLU A 31 0.755 -9.631 10.914 1.00 74.31 H new ATOM 0 HB2 GLU A 31 1.921 -10.086 13.050 1.00 34.02 H new ATOM 0 HB3 GLU A 31 0.445 -11.023 12.929 1.00 34.02 H new ATOM 0 HG2 GLU A 31 1.874 -13.008 12.179 1.00 13.20 H new ATOM 0 HG3 GLU A 31 3.292 -12.049 12.552 1.00 13.20 H new ATOM 492 N GLU A 32 3.316 -11.292 9.796 1.00 53.45 N ATOM 493 CA GLU A 32 4.606 -11.216 9.096 1.00 24.40 C ATOM 494 C GLU A 32 4.549 -10.191 7.955 1.00 3.44 C ATOM 495 O GLU A 32 5.409 -9.318 7.857 1.00 35.12 O ATOM 496 CB GLU A 32 4.961 -12.614 8.549 1.00 51.14 C ATOM 497 CG GLU A 32 5.090 -13.695 9.634 1.00 61.31 C ATOM 498 CD GLU A 32 5.244 -15.094 9.037 1.00 43.44 C ATOM 499 OE1 GLU A 32 6.352 -15.430 8.578 1.00 62.32 O ATOM 500 OE2 GLU A 32 4.258 -15.853 8.997 1.00 62.33 O ATOM 0 H GLU A 32 2.895 -12.220 9.760 1.00 53.45 H new ATOM 0 HA GLU A 32 5.376 -10.890 9.795 1.00 24.40 H new ATOM 0 HB2 GLU A 32 4.195 -12.919 7.836 1.00 51.14 H new ATOM 0 HB3 GLU A 32 5.901 -12.550 8.000 1.00 51.14 H new ATOM 0 HG2 GLU A 32 5.951 -13.474 10.265 1.00 61.31 H new ATOM 0 HG3 GLU A 32 4.210 -13.670 10.276 1.00 61.31 H new ATOM 507 N ALA A 33 3.498 -10.288 7.121 1.00 4.45 N ATOM 508 CA ALA A 33 3.273 -9.348 6.014 1.00 5.44 C ATOM 509 C ALA A 33 2.787 -7.992 6.542 1.00 23.03 C ATOM 510 O ALA A 33 3.039 -6.965 5.925 1.00 25.34 O ATOM 511 CB ALA A 33 2.275 -9.925 5.019 1.00 63.11 C ATOM 0 H ALA A 33 2.787 -11.015 7.196 1.00 4.45 H new ATOM 0 HA ALA A 33 4.221 -9.192 5.500 1.00 5.44 H new ATOM 0 HB1 ALA A 33 2.120 -9.216 4.206 1.00 63.11 H new ATOM 0 HB2 ALA A 33 2.663 -10.860 4.616 1.00 63.11 H new ATOM 0 HB3 ALA A 33 1.326 -10.113 5.522 1.00 63.11 H new ATOM 517 N LYS A 34 2.097 -8.009 7.699 1.00 73.11 N ATOM 518 CA LYS A 34 1.657 -6.786 8.394 1.00 61.04 C ATOM 519 C LYS A 34 2.883 -5.971 8.874 1.00 61.31 C ATOM 520 O LYS A 34 2.832 -4.745 8.994 1.00 62.34 O ATOM 521 CB LYS A 34 0.734 -7.142 9.582 1.00 71.43 C ATOM 522 CG LYS A 34 -0.032 -5.946 10.184 1.00 2.30 C ATOM 523 CD LYS A 34 -0.936 -6.359 11.369 1.00 31.42 C ATOM 524 CE LYS A 34 -1.897 -5.239 11.788 1.00 34.40 C ATOM 525 NZ LYS A 34 -2.903 -4.948 10.728 1.00 13.13 N ATOM 0 H LYS A 34 1.830 -8.870 8.176 1.00 73.11 H new ATOM 0 HA LYS A 34 1.089 -6.172 7.695 1.00 61.04 H new ATOM 0 HB2 LYS A 34 0.012 -7.889 9.252 1.00 71.43 H new ATOM 0 HB3 LYS A 34 1.335 -7.603 10.366 1.00 71.43 H new ATOM 0 HG2 LYS A 34 0.681 -5.194 10.520 1.00 2.30 H new ATOM 0 HG3 LYS A 34 -0.643 -5.482 9.409 1.00 2.30 H new ATOM 0 HD2 LYS A 34 -1.511 -7.243 11.093 1.00 31.42 H new ATOM 0 HD3 LYS A 34 -0.313 -6.636 12.219 1.00 31.42 H new ATOM 0 HE2 LYS A 34 -2.409 -5.524 12.707 1.00 34.40 H new ATOM 0 HE3 LYS A 34 -1.328 -4.335 12.008 1.00 34.40 H new ATOM 0 HZ1 LYS A 34 -3.685 -4.396 11.134 1.00 13.13 H new ATOM 0 HZ2 LYS A 34 -2.455 -4.403 9.964 1.00 13.13 H new ATOM 0 HZ3 LYS A 34 -3.272 -5.842 10.345 1.00 13.13 H new ATOM 539 N GLU A 35 3.982 -6.675 9.152 1.00 11.24 N ATOM 540 CA GLU A 35 5.272 -6.050 9.485 1.00 65.32 C ATOM 541 C GLU A 35 5.864 -5.356 8.231 1.00 41.43 C ATOM 542 O GLU A 35 6.527 -4.320 8.341 1.00 15.41 O ATOM 543 CB GLU A 35 6.236 -7.120 10.048 1.00 71.44 C ATOM 544 CG GLU A 35 7.534 -6.567 10.675 1.00 31.52 C ATOM 545 CD GLU A 35 7.281 -5.601 11.854 1.00 3.01 C ATOM 546 OE1 GLU A 35 6.792 -6.048 12.915 1.00 20.12 O ATOM 547 OE2 GLU A 35 7.559 -4.393 11.723 1.00 34.42 O ATOM 0 H GLU A 35 4.007 -7.695 9.154 1.00 11.24 H new ATOM 0 HA GLU A 35 5.125 -5.287 10.250 1.00 65.32 H new ATOM 0 HB2 GLU A 35 5.707 -7.703 10.802 1.00 71.44 H new ATOM 0 HB3 GLU A 35 6.503 -7.806 9.244 1.00 71.44 H new ATOM 0 HG2 GLU A 35 8.145 -7.400 11.022 1.00 31.52 H new ATOM 0 HG3 GLU A 35 8.108 -6.049 9.907 1.00 31.52 H new ATOM 554 N LEU A 36 5.601 -5.941 7.034 1.00 72.43 N ATOM 555 CA LEU A 36 5.928 -5.303 5.738 1.00 73.21 C ATOM 556 C LEU A 36 5.013 -4.096 5.479 1.00 43.11 C ATOM 557 O LEU A 36 5.426 -3.155 4.820 1.00 25.14 O ATOM 558 CB LEU A 36 5.832 -6.298 4.544 1.00 33.33 C ATOM 559 CG LEU A 36 7.036 -7.262 4.327 1.00 4.41 C ATOM 560 CD1 LEU A 36 8.367 -6.490 4.201 1.00 42.54 C ATOM 561 CD2 LEU A 36 7.109 -8.360 5.407 1.00 75.25 C ATOM 0 H LEU A 36 5.162 -6.857 6.943 1.00 72.43 H new ATOM 0 HA LEU A 36 6.963 -4.968 5.809 1.00 73.21 H new ATOM 0 HB2 LEU A 36 4.935 -6.902 4.678 1.00 33.33 H new ATOM 0 HB3 LEU A 36 5.693 -5.719 3.631 1.00 33.33 H new ATOM 0 HG LEU A 36 6.865 -7.771 3.378 1.00 4.41 H new ATOM 0 HD11 LEU A 36 9.184 -7.196 4.051 1.00 42.54 H new ATOM 0 HD12 LEU A 36 8.314 -5.810 3.351 1.00 42.54 H new ATOM 0 HD13 LEU A 36 8.544 -5.919 5.112 1.00 42.54 H new ATOM 0 HD21 LEU A 36 7.965 -9.006 5.212 1.00 75.25 H new ATOM 0 HD22 LEU A 36 7.219 -7.898 6.388 1.00 75.25 H new ATOM 0 HD23 LEU A 36 6.195 -8.953 5.386 1.00 75.25 H new ATOM 573 N LEU A 37 3.766 -4.164 5.974 1.00 1.42 N ATOM 574 CA LEU A 37 2.810 -3.035 5.920 1.00 43.42 C ATOM 575 C LEU A 37 3.397 -1.822 6.643 1.00 45.42 C ATOM 576 O LEU A 37 3.311 -0.701 6.146 1.00 22.34 O ATOM 577 CB LEU A 37 1.446 -3.478 6.538 1.00 62.14 C ATOM 578 CG LEU A 37 0.318 -2.401 6.788 1.00 3.42 C ATOM 579 CD1 LEU A 37 -1.077 -3.053 6.735 1.00 32.11 C ATOM 580 CD2 LEU A 37 0.482 -1.666 8.153 1.00 43.23 C ATOM 0 H LEU A 37 3.389 -4.999 6.423 1.00 1.42 H new ATOM 0 HA LEU A 37 2.631 -2.745 4.884 1.00 43.42 H new ATOM 0 HB2 LEU A 37 1.026 -4.245 5.887 1.00 62.14 H new ATOM 0 HB3 LEU A 37 1.660 -3.954 7.495 1.00 62.14 H new ATOM 0 HG LEU A 37 0.418 -1.663 5.992 1.00 3.42 H new ATOM 0 HD11 LEU A 37 -1.840 -2.294 6.910 1.00 32.11 H new ATOM 0 HD12 LEU A 37 -1.231 -3.504 5.755 1.00 32.11 H new ATOM 0 HD13 LEU A 37 -1.148 -3.823 7.503 1.00 32.11 H new ATOM 0 HD21 LEU A 37 -0.320 -0.937 8.273 1.00 43.23 H new ATOM 0 HD22 LEU A 37 0.437 -2.392 8.965 1.00 43.23 H new ATOM 0 HD23 LEU A 37 1.444 -1.154 8.177 1.00 43.23 H new ATOM 592 N LYS A 38 3.978 -2.078 7.829 1.00 45.44 N ATOM 593 CA LYS A 38 4.631 -1.051 8.646 1.00 4.13 C ATOM 594 C LYS A 38 5.802 -0.413 7.882 1.00 53.41 C ATOM 595 O LYS A 38 5.952 0.808 7.872 1.00 55.11 O ATOM 596 CB LYS A 38 5.131 -1.687 9.962 1.00 4.12 C ATOM 597 CG LYS A 38 5.693 -0.693 11.007 1.00 64.43 C ATOM 598 CD LYS A 38 6.259 -1.413 12.253 1.00 73.30 C ATOM 599 CE LYS A 38 5.216 -2.290 12.987 1.00 14.45 C ATOM 600 NZ LYS A 38 5.852 -3.174 14.004 1.00 60.31 N ATOM 0 H LYS A 38 4.005 -3.009 8.245 1.00 45.44 H new ATOM 0 HA LYS A 38 3.910 -0.266 8.874 1.00 4.13 H new ATOM 0 HB2 LYS A 38 4.307 -2.238 10.416 1.00 4.12 H new ATOM 0 HB3 LYS A 38 5.907 -2.414 9.723 1.00 4.12 H new ATOM 0 HG2 LYS A 38 6.478 -0.092 10.549 1.00 64.43 H new ATOM 0 HG3 LYS A 38 4.904 -0.006 11.313 1.00 64.43 H new ATOM 0 HD2 LYS A 38 7.099 -2.038 11.951 1.00 73.30 H new ATOM 0 HD3 LYS A 38 6.649 -0.668 12.947 1.00 73.30 H new ATOM 0 HE2 LYS A 38 4.480 -1.649 13.472 1.00 14.45 H new ATOM 0 HE3 LYS A 38 4.679 -2.900 12.261 1.00 14.45 H new ATOM 0 HZ1 LYS A 38 5.158 -3.872 14.340 1.00 60.31 H new ATOM 0 HZ2 LYS A 38 6.661 -3.668 13.577 1.00 60.31 H new ATOM 0 HZ3 LYS A 38 6.181 -2.600 14.806 1.00 60.31 H new ATOM 614 N LYS A 39 6.610 -1.276 7.234 1.00 65.15 N ATOM 615 CA LYS A 39 7.793 -0.868 6.468 1.00 72.54 C ATOM 616 C LYS A 39 7.399 0.015 5.268 1.00 0.51 C ATOM 617 O LYS A 39 7.868 1.138 5.144 1.00 61.51 O ATOM 618 CB LYS A 39 8.566 -2.127 6.006 1.00 12.11 C ATOM 619 CG LYS A 39 9.882 -1.838 5.263 1.00 14.03 C ATOM 620 CD LYS A 39 10.639 -3.130 4.894 1.00 41.33 C ATOM 621 CE LYS A 39 11.955 -2.848 4.158 1.00 4.03 C ATOM 622 NZ LYS A 39 11.721 -2.122 2.883 1.00 71.03 N ATOM 0 H LYS A 39 6.454 -2.284 7.231 1.00 65.15 H new ATOM 0 HA LYS A 39 8.442 -0.270 7.108 1.00 72.54 H new ATOM 0 HB2 LYS A 39 8.785 -2.742 6.879 1.00 12.11 H new ATOM 0 HB3 LYS A 39 7.919 -2.715 5.355 1.00 12.11 H new ATOM 0 HG2 LYS A 39 9.668 -1.273 4.356 1.00 14.03 H new ATOM 0 HG3 LYS A 39 10.519 -1.211 5.887 1.00 14.03 H new ATOM 0 HD2 LYS A 39 10.848 -3.697 5.801 1.00 41.33 H new ATOM 0 HD3 LYS A 39 10.002 -3.754 4.267 1.00 41.33 H new ATOM 0 HE2 LYS A 39 12.612 -2.259 4.798 1.00 4.03 H new ATOM 0 HE3 LYS A 39 12.468 -3.788 3.954 1.00 4.03 H new ATOM 0 HZ1 LYS A 39 12.602 -2.096 2.331 1.00 71.03 H new ATOM 0 HZ2 LYS A 39 10.984 -2.611 2.335 1.00 71.03 H new ATOM 0 HZ3 LYS A 39 11.412 -1.150 3.088 1.00 71.03 H new ATOM 636 N VAL A 40 6.468 -0.494 4.452 1.00 53.22 N ATOM 637 CA VAL A 40 6.013 0.140 3.205 1.00 22.03 C ATOM 638 C VAL A 40 5.344 1.490 3.478 1.00 50.24 C ATOM 639 O VAL A 40 5.650 2.476 2.806 1.00 44.41 O ATOM 640 CB VAL A 40 5.016 -0.820 2.443 1.00 53.34 C ATOM 641 CG1 VAL A 40 4.237 -0.090 1.329 1.00 62.42 C ATOM 642 CG2 VAL A 40 5.773 -2.034 1.858 1.00 3.24 C ATOM 0 H VAL A 40 5.998 -1.379 4.643 1.00 53.22 H new ATOM 0 HA VAL A 40 6.887 0.321 2.579 1.00 22.03 H new ATOM 0 HB VAL A 40 4.287 -1.169 3.174 1.00 53.34 H new ATOM 0 HG11 VAL A 40 3.565 -0.792 0.835 1.00 62.42 H new ATOM 0 HG12 VAL A 40 3.656 0.723 1.764 1.00 62.42 H new ATOM 0 HG13 VAL A 40 4.939 0.315 0.600 1.00 62.42 H new ATOM 0 HG21 VAL A 40 5.070 -2.684 1.337 1.00 3.24 H new ATOM 0 HG22 VAL A 40 6.533 -1.686 1.158 1.00 3.24 H new ATOM 0 HG23 VAL A 40 6.250 -2.589 2.666 1.00 3.24 H new ATOM 652 N ALA A 41 4.442 1.512 4.473 1.00 65.03 N ATOM 653 CA ALA A 41 3.665 2.706 4.823 1.00 71.54 C ATOM 654 C ALA A 41 4.568 3.812 5.379 1.00 54.24 C ATOM 655 O ALA A 41 4.326 4.994 5.118 1.00 24.54 O ATOM 656 CB ALA A 41 2.560 2.353 5.816 1.00 24.31 C ATOM 0 H ALA A 41 4.233 0.701 5.056 1.00 65.03 H new ATOM 0 HA ALA A 41 3.201 3.086 3.913 1.00 71.54 H new ATOM 0 HB1 ALA A 41 1.994 3.251 6.064 1.00 24.31 H new ATOM 0 HB2 ALA A 41 1.893 1.615 5.371 1.00 24.31 H new ATOM 0 HB3 ALA A 41 3.003 1.941 6.723 1.00 24.31 H new ATOM 662 N GLU A 42 5.610 3.410 6.140 1.00 2.43 N ATOM 663 CA GLU A 42 6.629 4.338 6.632 1.00 54.53 C ATOM 664 C GLU A 42 7.421 4.924 5.462 1.00 3.13 C ATOM 665 O GLU A 42 7.555 6.135 5.358 1.00 42.53 O ATOM 666 CB GLU A 42 7.593 3.645 7.637 1.00 53.42 C ATOM 667 CG GLU A 42 7.050 3.521 9.076 1.00 72.44 C ATOM 668 CD GLU A 42 6.803 4.889 9.733 1.00 20.30 C ATOM 669 OE1 GLU A 42 7.785 5.533 10.171 1.00 53.54 O ATOM 670 OE2 GLU A 42 5.638 5.335 9.798 1.00 31.24 O ATOM 0 H GLU A 42 5.760 2.442 6.423 1.00 2.43 H new ATOM 0 HA GLU A 42 6.118 5.144 7.159 1.00 54.53 H new ATOM 0 HB2 GLU A 42 7.827 2.647 7.265 1.00 53.42 H new ATOM 0 HB3 GLU A 42 8.529 4.203 7.664 1.00 53.42 H new ATOM 0 HG2 GLU A 42 6.118 2.955 9.062 1.00 72.44 H new ATOM 0 HG3 GLU A 42 7.758 2.954 9.680 1.00 72.44 H new ATOM 677 N LYS A 43 7.910 4.038 4.574 1.00 53.51 N ATOM 678 CA LYS A 43 8.763 4.417 3.429 1.00 74.43 C ATOM 679 C LYS A 43 8.000 5.299 2.427 1.00 2.02 C ATOM 680 O LYS A 43 8.584 6.195 1.816 1.00 15.42 O ATOM 681 CB LYS A 43 9.330 3.137 2.737 1.00 34.01 C ATOM 682 CG LYS A 43 10.264 2.253 3.620 1.00 41.11 C ATOM 683 CD LYS A 43 11.743 2.715 3.673 1.00 60.00 C ATOM 684 CE LYS A 43 11.970 4.066 4.368 1.00 73.21 C ATOM 685 NZ LYS A 43 11.466 4.074 5.767 1.00 43.13 N ATOM 0 H LYS A 43 7.725 3.036 4.630 1.00 53.51 H new ATOM 0 HA LYS A 43 9.598 5.008 3.805 1.00 74.43 H new ATOM 0 HB2 LYS A 43 8.492 2.526 2.400 1.00 34.01 H new ATOM 0 HB3 LYS A 43 9.881 3.440 1.847 1.00 34.01 H new ATOM 0 HG2 LYS A 43 9.868 2.234 4.635 1.00 41.11 H new ATOM 0 HG3 LYS A 43 10.232 1.230 3.246 1.00 41.11 H new ATOM 0 HD2 LYS A 43 12.329 1.954 4.189 1.00 60.00 H new ATOM 0 HD3 LYS A 43 12.127 2.777 2.655 1.00 60.00 H new ATOM 0 HE2 LYS A 43 13.035 4.298 4.367 1.00 73.21 H new ATOM 0 HE3 LYS A 43 11.472 4.852 3.800 1.00 73.21 H new ATOM 0 HZ1 LYS A 43 10.787 4.853 5.887 1.00 43.13 H new ATOM 0 HZ2 LYS A 43 10.995 3.170 5.971 1.00 43.13 H new ATOM 0 HZ3 LYS A 43 12.263 4.205 6.422 1.00 43.13 H new ATOM 699 N ALA A 44 6.690 5.050 2.295 1.00 32.23 N ATOM 700 CA ALA A 44 5.797 5.847 1.447 1.00 54.30 C ATOM 701 C ALA A 44 5.634 7.249 2.045 1.00 42.43 C ATOM 702 O ALA A 44 5.772 8.254 1.340 1.00 70.24 O ATOM 703 CB ALA A 44 4.436 5.149 1.298 1.00 14.32 C ATOM 0 H ALA A 44 6.218 4.285 2.777 1.00 32.23 H new ATOM 0 HA ALA A 44 6.234 5.942 0.453 1.00 54.30 H new ATOM 0 HB1 ALA A 44 3.785 5.753 0.666 1.00 14.32 H new ATOM 0 HB2 ALA A 44 4.578 4.169 0.842 1.00 14.32 H new ATOM 0 HB3 ALA A 44 3.979 5.029 2.280 1.00 14.32 H new ATOM 709 N ALA A 45 5.401 7.284 3.373 1.00 72.00 N ATOM 710 CA ALA A 45 5.257 8.526 4.143 1.00 14.20 C ATOM 711 C ALA A 45 6.562 9.346 4.122 1.00 52.55 C ATOM 712 O ALA A 45 6.522 10.579 4.184 1.00 34.41 O ATOM 713 CB ALA A 45 4.858 8.201 5.587 1.00 23.02 C ATOM 0 H ALA A 45 5.308 6.442 3.941 1.00 72.00 H new ATOM 0 HA ALA A 45 4.474 9.127 3.681 1.00 14.20 H new ATOM 0 HB1 ALA A 45 4.753 9.127 6.153 1.00 23.02 H new ATOM 0 HB2 ALA A 45 3.909 7.664 5.590 1.00 23.02 H new ATOM 0 HB3 ALA A 45 5.628 7.581 6.046 1.00 23.02 H new ATOM 719 N ASP A 46 7.716 8.634 4.041 1.00 61.33 N ATOM 720 CA ASP A 46 9.049 9.252 3.921 1.00 61.02 C ATOM 721 C ASP A 46 9.179 9.979 2.581 1.00 44.43 C ATOM 722 O ASP A 46 9.651 11.110 2.535 1.00 25.50 O ATOM 723 CB ASP A 46 10.191 8.197 4.053 1.00 0.41 C ATOM 724 CG ASP A 46 10.471 7.803 5.510 1.00 63.25 C ATOM 725 OD1 ASP A 46 10.892 8.676 6.286 1.00 14.02 O ATOM 726 OD2 ASP A 46 10.310 6.628 5.889 1.00 73.22 O ATOM 0 H ASP A 46 7.741 7.614 4.058 1.00 61.33 H new ATOM 0 HA ASP A 46 9.150 9.966 4.738 1.00 61.02 H new ATOM 0 HB2 ASP A 46 9.924 7.306 3.485 1.00 0.41 H new ATOM 0 HB3 ASP A 46 11.102 8.597 3.608 1.00 0.41 H new ATOM 731 N LYS A 47 8.751 9.293 1.500 1.00 21.41 N ATOM 732 CA LYS A 47 8.768 9.832 0.121 1.00 45.42 C ATOM 733 C LYS A 47 7.929 11.120 0.025 1.00 34.44 C ATOM 734 O LYS A 47 8.344 12.064 -0.643 1.00 43.10 O ATOM 735 CB LYS A 47 8.304 8.742 -0.926 1.00 42.24 C ATOM 736 CG LYS A 47 9.463 7.907 -1.541 1.00 72.31 C ATOM 737 CD LYS A 47 10.380 7.255 -0.480 1.00 22.13 C ATOM 738 CE LYS A 47 11.572 6.501 -1.084 1.00 44.50 C ATOM 739 NZ LYS A 47 11.151 5.258 -1.776 1.00 54.54 N ATOM 0 H LYS A 47 8.382 8.344 1.559 1.00 21.41 H new ATOM 0 HA LYS A 47 9.796 10.095 -0.129 1.00 45.42 H new ATOM 0 HB2 LYS A 47 7.603 8.064 -0.440 1.00 42.24 H new ATOM 0 HB3 LYS A 47 7.762 9.237 -1.732 1.00 42.24 H new ATOM 0 HG2 LYS A 47 9.042 7.127 -2.175 1.00 72.31 H new ATOM 0 HG3 LYS A 47 10.064 8.551 -2.183 1.00 72.31 H new ATOM 0 HD2 LYS A 47 10.752 8.028 0.192 1.00 22.13 H new ATOM 0 HD3 LYS A 47 9.791 6.564 0.123 1.00 22.13 H new ATOM 0 HE2 LYS A 47 12.092 7.150 -1.789 1.00 44.50 H new ATOM 0 HE3 LYS A 47 12.282 6.254 -0.295 1.00 44.50 H new ATOM 0 HZ1 LYS A 47 11.745 4.466 -1.459 1.00 54.54 H new ATOM 0 HZ2 LYS A 47 10.156 5.056 -1.551 1.00 54.54 H new ATOM 0 HZ3 LYS A 47 11.256 5.380 -2.803 1.00 54.54 H new ATOM 753 N ILE A 48 6.780 11.148 0.740 1.00 43.01 N ATOM 754 CA ILE A 48 5.886 12.333 0.814 1.00 72.11 C ATOM 755 C ILE A 48 6.568 13.484 1.580 1.00 12.24 C ATOM 756 O ILE A 48 6.447 14.662 1.205 1.00 12.21 O ATOM 757 CB ILE A 48 4.506 11.998 1.507 1.00 74.33 C ATOM 758 CG1 ILE A 48 3.847 10.765 0.837 1.00 4.22 C ATOM 759 CG2 ILE A 48 3.548 13.219 1.463 1.00 63.32 C ATOM 760 CD1 ILE A 48 2.567 10.279 1.478 1.00 5.01 C ATOM 0 H ILE A 48 6.445 10.352 1.282 1.00 43.01 H new ATOM 0 HA ILE A 48 5.688 12.638 -0.214 1.00 72.11 H new ATOM 0 HB ILE A 48 4.702 11.762 2.553 1.00 74.33 H new ATOM 0 HG12 ILE A 48 3.641 11.007 -0.206 1.00 4.22 H new ATOM 0 HG13 ILE A 48 4.566 9.946 0.838 1.00 4.22 H new ATOM 0 HG21 ILE A 48 2.606 12.960 1.947 1.00 63.32 H new ATOM 0 HG22 ILE A 48 4.005 14.059 1.985 1.00 63.32 H new ATOM 0 HG23 ILE A 48 3.359 13.496 0.426 1.00 63.32 H new ATOM 0 HD11 ILE A 48 2.192 9.414 0.931 1.00 5.01 H new ATOM 0 HD12 ILE A 48 2.762 9.997 2.513 1.00 5.01 H new ATOM 0 HD13 ILE A 48 1.823 11.075 1.453 1.00 5.01 H new ATOM 772 N LYS A 49 7.276 13.114 2.664 1.00 61.41 N ATOM 773 CA LYS A 49 7.995 14.063 3.533 1.00 73.32 C ATOM 774 C LYS A 49 9.078 14.827 2.743 1.00 44.51 C ATOM 775 O LYS A 49 9.276 16.030 2.943 1.00 70.34 O ATOM 776 CB LYS A 49 8.607 13.290 4.729 1.00 40.44 C ATOM 777 CG LYS A 49 9.461 14.126 5.715 1.00 0.33 C ATOM 778 CD LYS A 49 9.899 13.303 6.950 1.00 40.54 C ATOM 779 CE LYS A 49 10.706 12.036 6.589 1.00 41.31 C ATOM 780 NZ LYS A 49 10.952 11.176 7.777 1.00 3.45 N ATOM 0 H LYS A 49 7.365 12.143 2.962 1.00 61.41 H new ATOM 0 HA LYS A 49 7.295 14.807 3.912 1.00 73.32 H new ATOM 0 HB2 LYS A 49 7.795 12.824 5.288 1.00 40.44 H new ATOM 0 HB3 LYS A 49 9.227 12.484 4.336 1.00 40.44 H new ATOM 0 HG2 LYS A 49 10.344 14.502 5.199 1.00 0.33 H new ATOM 0 HG3 LYS A 49 8.889 14.994 6.043 1.00 0.33 H new ATOM 0 HD2 LYS A 49 10.501 13.935 7.603 1.00 40.54 H new ATOM 0 HD3 LYS A 49 9.014 13.012 7.516 1.00 40.54 H new ATOM 0 HE2 LYS A 49 10.166 11.465 5.834 1.00 41.31 H new ATOM 0 HE3 LYS A 49 11.659 12.327 6.148 1.00 41.31 H new ATOM 0 HZ1 LYS A 49 10.980 10.179 7.484 1.00 3.45 H new ATOM 0 HZ2 LYS A 49 11.861 11.435 8.211 1.00 3.45 H new ATOM 0 HZ3 LYS A 49 10.187 11.312 8.469 1.00 3.45 H new ATOM 794 N LYS A 50 9.762 14.111 1.838 1.00 61.25 N ATOM 795 CA LYS A 50 10.747 14.714 0.918 1.00 70.12 C ATOM 796 C LYS A 50 10.019 15.556 -0.160 1.00 61.04 C ATOM 797 O LYS A 50 10.363 16.724 -0.400 1.00 61.43 O ATOM 798 CB LYS A 50 11.629 13.607 0.246 1.00 25.25 C ATOM 799 CG LYS A 50 12.814 13.083 1.102 1.00 42.53 C ATOM 800 CD LYS A 50 12.394 12.461 2.452 1.00 10.02 C ATOM 801 CE LYS A 50 13.553 11.769 3.186 1.00 21.42 C ATOM 802 NZ LYS A 50 14.648 12.709 3.542 1.00 11.23 N ATOM 0 H LYS A 50 9.651 13.104 1.721 1.00 61.25 H new ATOM 0 HA LYS A 50 11.404 15.368 1.492 1.00 70.12 H new ATOM 0 HB2 LYS A 50 10.988 12.763 -0.011 1.00 25.25 H new ATOM 0 HB3 LYS A 50 12.026 14.002 -0.689 1.00 25.25 H new ATOM 0 HG2 LYS A 50 13.362 12.337 0.526 1.00 42.53 H new ATOM 0 HG3 LYS A 50 13.502 13.907 1.293 1.00 42.53 H new ATOM 0 HD2 LYS A 50 11.982 13.241 3.092 1.00 10.02 H new ATOM 0 HD3 LYS A 50 11.598 11.737 2.279 1.00 10.02 H new ATOM 0 HE2 LYS A 50 13.174 11.299 4.093 1.00 21.42 H new ATOM 0 HE3 LYS A 50 13.953 10.973 2.557 1.00 21.42 H new ATOM 0 HZ1 LYS A 50 15.404 12.191 4.035 1.00 11.23 H new ATOM 0 HZ2 LYS A 50 15.031 13.140 2.676 1.00 11.23 H new ATOM 0 HZ3 LYS A 50 14.277 13.455 4.165 1.00 11.23 H new ATOM 816 N GLN A 51 8.996 14.934 -0.779 1.00 44.30 N ATOM 817 CA GLN A 51 8.242 15.499 -1.916 1.00 14.44 C ATOM 818 C GLN A 51 6.852 14.820 -1.998 1.00 2.14 C ATOM 819 O GLN A 51 6.760 13.597 -2.139 1.00 41.32 O ATOM 820 CB GLN A 51 9.059 15.328 -3.231 1.00 12.23 C ATOM 821 CG GLN A 51 9.611 13.904 -3.459 1.00 2.41 C ATOM 822 CD GLN A 51 10.501 13.793 -4.688 1.00 21.23 C ATOM 823 OE1 GLN A 51 10.036 13.505 -5.785 1.00 35.54 O ATOM 824 NE2 GLN A 51 11.787 14.034 -4.512 1.00 44.45 N ATOM 0 H GLN A 51 8.665 14.011 -0.499 1.00 44.30 H new ATOM 0 HA GLN A 51 8.084 16.568 -1.770 1.00 14.44 H new ATOM 0 HB2 GLN A 51 8.425 15.598 -4.076 1.00 12.23 H new ATOM 0 HB3 GLN A 51 9.893 16.030 -3.220 1.00 12.23 H new ATOM 0 HG2 GLN A 51 10.177 13.596 -2.580 1.00 2.41 H new ATOM 0 HG3 GLN A 51 8.776 13.210 -3.559 1.00 2.41 H new ATOM 0 HE21 GLN A 51 12.139 14.271 -3.585 1.00 44.45 H new ATOM 0 HE22 GLN A 51 12.428 13.983 -5.304 1.00 44.45 H new ATOM 833 N GLY A 52 5.784 15.643 -1.908 1.00 15.03 N ATOM 834 CA GLY A 52 4.407 15.165 -1.723 1.00 2.14 C ATOM 835 C GLY A 52 3.962 14.147 -2.777 1.00 52.41 C ATOM 836 O GLY A 52 3.712 14.527 -3.930 1.00 23.02 O ATOM 0 H GLY A 52 5.859 16.659 -1.962 1.00 15.03 H new ATOM 0 HA2 GLY A 52 4.318 14.714 -0.735 1.00 2.14 H new ATOM 0 HA3 GLY A 52 3.729 16.018 -1.746 1.00 2.14 H new ATOM 840 N CYS A 53 3.917 12.846 -2.381 1.00 62.21 N ATOM 841 CA CYS A 53 3.470 11.753 -3.262 1.00 55.43 C ATOM 842 C CYS A 53 1.974 11.901 -3.555 1.00 60.23 C ATOM 843 O CYS A 53 1.116 11.470 -2.770 1.00 52.23 O ATOM 844 CB CYS A 53 3.785 10.375 -2.646 1.00 55.44 C ATOM 845 SG CYS A 53 5.512 10.183 -2.159 1.00 41.11 S ATOM 0 H CYS A 53 4.189 12.536 -1.448 1.00 62.21 H new ATOM 0 HA CYS A 53 4.017 11.817 -4.202 1.00 55.43 H new ATOM 0 HB2 CYS A 53 3.150 10.222 -1.773 1.00 55.44 H new ATOM 0 HB3 CYS A 53 3.530 9.597 -3.366 1.00 55.44 H new ATOM 0 HG CYS A 53 6.083 11.350 -2.115 1.00 41.11 H new ATOM 851 N LYS A 54 1.700 12.579 -4.673 1.00 32.23 N ATOM 852 CA LYS A 54 0.351 12.921 -5.110 1.00 75.25 C ATOM 853 C LYS A 54 -0.408 11.674 -5.600 1.00 12.42 C ATOM 854 O LYS A 54 -1.628 11.555 -5.417 1.00 61.43 O ATOM 855 CB LYS A 54 0.444 13.994 -6.216 1.00 61.10 C ATOM 856 CG LYS A 54 -0.910 14.464 -6.782 1.00 24.23 C ATOM 857 CD LYS A 54 -0.744 15.372 -8.017 1.00 0.15 C ATOM 858 CE LYS A 54 -2.095 15.794 -8.603 1.00 12.40 C ATOM 859 NZ LYS A 54 -2.862 16.672 -7.676 1.00 20.43 N ATOM 0 H LYS A 54 2.426 12.910 -5.309 1.00 32.23 H new ATOM 0 HA LYS A 54 -0.213 13.321 -4.268 1.00 75.25 H new ATOM 0 HB2 LYS A 54 0.975 14.859 -5.818 1.00 61.10 H new ATOM 0 HB3 LYS A 54 1.046 13.599 -7.035 1.00 61.10 H new ATOM 0 HG2 LYS A 54 -1.510 13.595 -7.051 1.00 24.23 H new ATOM 0 HG3 LYS A 54 -1.457 15.003 -6.009 1.00 24.23 H new ATOM 0 HD2 LYS A 54 -0.175 16.260 -7.741 1.00 0.15 H new ATOM 0 HD3 LYS A 54 -0.166 14.847 -8.778 1.00 0.15 H new ATOM 0 HE2 LYS A 54 -1.933 16.318 -9.545 1.00 12.40 H new ATOM 0 HE3 LYS A 54 -2.684 14.905 -8.830 1.00 12.40 H new ATOM 0 HZ1 LYS A 54 -3.776 16.228 -7.454 1.00 20.43 H new ATOM 0 HZ2 LYS A 54 -2.320 16.807 -6.798 1.00 20.43 H new ATOM 0 HZ3 LYS A 54 -3.026 17.594 -8.128 1.00 20.43 H new ATOM 873 N ARG A 55 0.334 10.738 -6.201 1.00 63.45 N ATOM 874 CA ARG A 55 -0.232 9.519 -6.788 1.00 21.30 C ATOM 875 C ARG A 55 0.389 8.290 -6.134 1.00 74.01 C ATOM 876 O ARG A 55 1.605 8.134 -6.120 1.00 42.21 O ATOM 877 CB ARG A 55 0.037 9.492 -8.310 1.00 2.13 C ATOM 878 CG ARG A 55 -0.698 8.372 -9.080 1.00 61.12 C ATOM 879 CD ARG A 55 -0.235 8.274 -10.540 1.00 74.14 C ATOM 880 NE ARG A 55 -0.271 9.583 -11.227 1.00 25.54 N ATOM 881 CZ ARG A 55 0.750 10.129 -11.914 1.00 23.44 C ATOM 882 NH1 ARG A 55 1.924 9.498 -12.016 1.00 4.25 N ATOM 883 NH2 ARG A 55 0.597 11.311 -12.486 1.00 1.15 N ATOM 0 H ARG A 55 1.348 10.805 -6.294 1.00 63.45 H new ATOM 0 HA ARG A 55 -1.308 9.511 -6.615 1.00 21.30 H new ATOM 0 HB2 ARG A 55 -0.253 10.454 -8.733 1.00 2.13 H new ATOM 0 HB3 ARG A 55 1.109 9.382 -8.473 1.00 2.13 H new ATOM 0 HG2 ARG A 55 -0.527 7.418 -8.581 1.00 61.12 H new ATOM 0 HG3 ARG A 55 -1.772 8.558 -9.053 1.00 61.12 H new ATOM 0 HD2 ARG A 55 0.780 7.877 -10.572 1.00 74.14 H new ATOM 0 HD3 ARG A 55 -0.871 7.568 -11.074 1.00 74.14 H new ATOM 0 HE ARG A 55 -1.140 10.115 -11.176 1.00 25.54 H new ATOM 0 HH11 ARG A 55 2.055 8.590 -11.570 1.00 4.25 H new ATOM 0 HH12 ARG A 55 2.688 9.924 -12.540 1.00 4.25 H new ATOM 0 HH21 ARG A 55 -0.292 11.805 -12.406 1.00 1.15 H new ATOM 0 HH22 ARG A 55 1.368 11.729 -13.008 1.00 1.15 H new ATOM 897 N VAL A 56 -0.456 7.434 -5.573 1.00 62.03 N ATOM 898 CA VAL A 56 -0.056 6.110 -5.072 1.00 75.12 C ATOM 899 C VAL A 56 -0.898 5.059 -5.801 1.00 13.22 C ATOM 900 O VAL A 56 -2.084 5.272 -6.029 1.00 70.54 O ATOM 901 CB VAL A 56 -0.272 5.994 -3.514 1.00 11.44 C ATOM 902 CG1 VAL A 56 -0.005 4.563 -2.991 1.00 41.50 C ATOM 903 CG2 VAL A 56 0.594 7.024 -2.749 1.00 42.34 C ATOM 0 H VAL A 56 -1.448 7.634 -5.448 1.00 62.03 H new ATOM 0 HA VAL A 56 1.006 5.955 -5.262 1.00 75.12 H new ATOM 0 HB VAL A 56 -1.322 6.219 -3.326 1.00 11.44 H new ATOM 0 HG11 VAL A 56 -0.167 4.533 -1.913 1.00 41.50 H new ATOM 0 HG12 VAL A 56 -0.685 3.864 -3.479 1.00 41.50 H new ATOM 0 HG13 VAL A 56 1.025 4.281 -3.211 1.00 41.50 H new ATOM 0 HG21 VAL A 56 0.423 6.919 -1.678 1.00 42.34 H new ATOM 0 HG22 VAL A 56 1.647 6.847 -2.967 1.00 42.34 H new ATOM 0 HG23 VAL A 56 0.323 8.032 -3.063 1.00 42.34 H new ATOM 913 N LYS A 57 -0.250 3.981 -6.232 1.00 44.41 N ATOM 914 CA LYS A 57 -0.900 2.772 -6.758 1.00 72.23 C ATOM 915 C LYS A 57 -0.409 1.589 -5.917 1.00 12.42 C ATOM 916 O LYS A 57 0.768 1.289 -5.927 1.00 22.21 O ATOM 917 CB LYS A 57 -0.515 2.547 -8.247 1.00 72.13 C ATOM 918 CG LYS A 57 -0.880 3.704 -9.197 1.00 64.30 C ATOM 919 CD LYS A 57 -0.308 3.482 -10.617 1.00 62.20 C ATOM 920 CE LYS A 57 -0.592 4.654 -11.570 1.00 70.43 C ATOM 921 NZ LYS A 57 -2.037 4.813 -11.855 1.00 33.41 N ATOM 0 H LYS A 57 0.768 3.916 -6.227 1.00 44.41 H new ATOM 0 HA LYS A 57 -1.984 2.873 -6.703 1.00 72.23 H new ATOM 0 HB2 LYS A 57 0.559 2.374 -8.306 1.00 72.13 H new ATOM 0 HB3 LYS A 57 -1.004 1.639 -8.600 1.00 72.13 H new ATOM 0 HG2 LYS A 57 -1.964 3.801 -9.253 1.00 64.30 H new ATOM 0 HG3 LYS A 57 -0.497 4.641 -8.793 1.00 64.30 H new ATOM 0 HD2 LYS A 57 0.769 3.329 -10.549 1.00 62.20 H new ATOM 0 HD3 LYS A 57 -0.733 2.570 -11.035 1.00 62.20 H new ATOM 0 HE2 LYS A 57 -0.207 5.575 -11.133 1.00 70.43 H new ATOM 0 HE3 LYS A 57 -0.055 4.496 -12.505 1.00 70.43 H new ATOM 0 HZ1 LYS A 57 -2.225 4.561 -12.846 1.00 33.41 H new ATOM 0 HZ2 LYS A 57 -2.585 4.189 -11.229 1.00 33.41 H new ATOM 0 HZ3 LYS A 57 -2.317 5.801 -11.690 1.00 33.41 H new ATOM 935 N ILE A 58 -1.299 0.922 -5.197 1.00 14.40 N ATOM 936 CA ILE A 58 -0.934 -0.268 -4.416 1.00 14.44 C ATOM 937 C ILE A 58 -1.344 -1.464 -5.256 1.00 55.42 C ATOM 938 O ILE A 58 -2.523 -1.704 -5.444 1.00 30.20 O ATOM 939 CB ILE A 58 -1.694 -0.295 -3.030 1.00 2.51 C ATOM 940 CG1 ILE A 58 -1.260 0.908 -2.132 1.00 13.43 C ATOM 941 CG2 ILE A 58 -1.524 -1.646 -2.293 1.00 45.33 C ATOM 942 CD1 ILE A 58 -2.041 1.046 -0.824 1.00 1.50 C ATOM 0 H ILE A 58 -2.284 1.180 -5.132 1.00 14.40 H new ATOM 0 HA ILE A 58 0.133 -0.273 -4.194 1.00 14.44 H new ATOM 0 HB ILE A 58 -2.758 -0.190 -3.243 1.00 2.51 H new ATOM 0 HG12 ILE A 58 -0.201 0.804 -1.897 1.00 13.43 H new ATOM 0 HG13 ILE A 58 -1.371 1.829 -2.704 1.00 13.43 H new ATOM 0 HG21 ILE A 58 -2.064 -1.615 -1.347 1.00 45.33 H new ATOM 0 HG22 ILE A 58 -1.922 -2.450 -2.912 1.00 45.33 H new ATOM 0 HG23 ILE A 58 -0.466 -1.825 -2.101 1.00 45.33 H new ATOM 0 HD11 ILE A 58 -1.670 1.907 -0.268 1.00 1.50 H new ATOM 0 HD12 ILE A 58 -3.099 1.185 -1.045 1.00 1.50 H new ATOM 0 HD13 ILE A 58 -1.911 0.144 -0.226 1.00 1.50 H new ATOM 954 N ARG A 59 -0.360 -2.204 -5.765 1.00 2.05 N ATOM 955 CA ARG A 59 -0.616 -3.398 -6.582 1.00 52.42 C ATOM 956 C ARG A 59 -0.182 -4.627 -5.803 1.00 53.44 C ATOM 957 O ARG A 59 0.776 -4.587 -5.019 1.00 32.02 O ATOM 958 CB ARG A 59 0.132 -3.341 -7.942 1.00 64.32 C ATOM 959 CG ARG A 59 -0.299 -2.181 -8.856 1.00 50.05 C ATOM 960 CD ARG A 59 0.326 -2.278 -10.256 1.00 33.52 C ATOM 961 NE ARG A 59 -0.114 -1.181 -11.135 1.00 43.42 N ATOM 962 CZ ARG A 59 0.685 -0.483 -11.956 1.00 10.13 C ATOM 963 NH1 ARG A 59 1.997 -0.735 -12.019 1.00 33.53 N ATOM 964 NH2 ARG A 59 0.177 0.463 -12.721 1.00 34.44 N ATOM 0 H ARG A 59 0.630 -1.999 -5.627 1.00 2.05 H new ATOM 0 HA ARG A 59 -1.683 -3.443 -6.801 1.00 52.42 H new ATOM 0 HB2 ARG A 59 1.202 -3.259 -7.751 1.00 64.32 H new ATOM 0 HB3 ARG A 59 -0.026 -4.281 -8.470 1.00 64.32 H new ATOM 0 HG2 ARG A 59 -1.385 -2.176 -8.945 1.00 50.05 H new ATOM 0 HG3 ARG A 59 -0.013 -1.235 -8.398 1.00 50.05 H new ATOM 0 HD2 ARG A 59 1.412 -2.260 -10.170 1.00 33.52 H new ATOM 0 HD3 ARG A 59 0.058 -3.233 -10.707 1.00 33.52 H new ATOM 0 HE ARG A 59 -1.103 -0.933 -11.118 1.00 43.42 H new ATOM 0 HH11 ARG A 59 2.404 -1.467 -11.437 1.00 33.53 H new ATOM 0 HH12 ARG A 59 2.590 -0.195 -12.649 1.00 33.53 H new ATOM 0 HH21 ARG A 59 -0.823 0.664 -12.688 1.00 34.44 H new ATOM 0 HH22 ARG A 59 0.784 0.994 -13.346 1.00 34.44 H new ATOM 978 N PHE A 60 -0.910 -5.704 -6.016 1.00 34.04 N ATOM 979 CA PHE A 60 -0.599 -7.007 -5.470 1.00 70.40 C ATOM 980 C PHE A 60 -0.986 -8.045 -6.516 1.00 64.04 C ATOM 981 O PHE A 60 -2.069 -7.963 -7.113 1.00 2.30 O ATOM 982 CB PHE A 60 -1.371 -7.209 -4.145 1.00 1.13 C ATOM 983 CG PHE A 60 -1.258 -8.620 -3.553 1.00 64.21 C ATOM 984 CD1 PHE A 60 -0.082 -9.052 -2.957 1.00 21.14 C ATOM 985 CD2 PHE A 60 -2.331 -9.509 -3.604 1.00 43.32 C ATOM 986 CE1 PHE A 60 0.027 -10.318 -2.421 1.00 51.44 C ATOM 987 CE2 PHE A 60 -2.225 -10.777 -3.069 1.00 10.41 C ATOM 988 CZ PHE A 60 -1.043 -11.184 -2.476 1.00 51.12 C ATOM 0 H PHE A 60 -1.755 -5.696 -6.588 1.00 34.04 H new ATOM 0 HA PHE A 60 0.463 -7.104 -5.243 1.00 70.40 H new ATOM 0 HB2 PHE A 60 -1.004 -6.490 -3.412 1.00 1.13 H new ATOM 0 HB3 PHE A 60 -2.424 -6.983 -4.314 1.00 1.13 H new ATOM 0 HD1 PHE A 60 0.765 -8.383 -2.912 1.00 21.14 H new ATOM 0 HD2 PHE A 60 -3.257 -9.202 -4.068 1.00 43.32 H new ATOM 0 HE1 PHE A 60 0.951 -10.631 -1.958 1.00 51.44 H new ATOM 0 HE2 PHE A 60 -3.066 -11.453 -3.113 1.00 10.41 H new ATOM 0 HZ PHE A 60 -0.960 -12.176 -2.058 1.00 51.12 H new ATOM 998 N GLU A 61 -0.109 -9.031 -6.713 1.00 51.33 N ATOM 999 CA GLU A 61 -0.316 -10.084 -7.696 1.00 22.35 C ATOM 1000 C GLU A 61 -1.377 -11.049 -7.167 1.00 55.22 C ATOM 1001 O GLU A 61 -1.108 -11.873 -6.285 1.00 40.13 O ATOM 1002 CB GLU A 61 1.017 -10.799 -7.976 1.00 41.33 C ATOM 1003 CG GLU A 61 0.950 -11.901 -9.044 1.00 55.23 C ATOM 1004 CD GLU A 61 2.337 -12.458 -9.373 1.00 30.02 C ATOM 1005 OE1 GLU A 61 2.861 -13.257 -8.578 1.00 4.12 O ATOM 1006 OE2 GLU A 61 2.923 -12.060 -10.403 1.00 34.13 O ATOM 0 H GLU A 61 0.764 -9.118 -6.193 1.00 51.33 H new ATOM 0 HA GLU A 61 -0.669 -9.666 -8.639 1.00 22.35 H new ATOM 0 HB2 GLU A 61 1.752 -10.057 -8.287 1.00 41.33 H new ATOM 0 HB3 GLU A 61 1.380 -11.237 -7.046 1.00 41.33 H new ATOM 0 HG2 GLU A 61 0.308 -12.709 -8.693 1.00 55.23 H new ATOM 0 HG3 GLU A 61 0.494 -11.502 -9.950 1.00 55.23 H new ATOM 1013 N LYS A 62 -2.597 -10.895 -7.692 1.00 3.50 N ATOM 1014 CA LYS A 62 -3.766 -11.633 -7.232 1.00 51.31 C ATOM 1015 C LYS A 62 -4.310 -12.441 -8.420 1.00 4.12 C ATOM 1016 O LYS A 62 -5.069 -11.907 -9.245 1.00 51.13 O ATOM 1017 CB LYS A 62 -4.824 -10.633 -6.635 1.00 42.00 C ATOM 1018 CG LYS A 62 -5.803 -11.220 -5.576 1.00 44.43 C ATOM 1019 CD LYS A 62 -6.731 -12.331 -6.129 1.00 70.31 C ATOM 1020 CE LYS A 62 -7.676 -11.828 -7.230 1.00 35.41 C ATOM 1021 NZ LYS A 62 -8.419 -12.940 -7.855 1.00 44.31 N ATOM 0 H LYS A 62 -2.797 -10.248 -8.455 1.00 3.50 H new ATOM 0 HA LYS A 62 -3.513 -12.328 -6.431 1.00 51.31 H new ATOM 0 HB2 LYS A 62 -4.289 -9.798 -6.182 1.00 42.00 H new ATOM 0 HB3 LYS A 62 -5.412 -10.226 -7.457 1.00 42.00 H new ATOM 0 HG2 LYS A 62 -5.225 -11.623 -4.745 1.00 44.43 H new ATOM 0 HG3 LYS A 62 -6.417 -10.413 -5.176 1.00 44.43 H new ATOM 0 HD2 LYS A 62 -6.121 -13.143 -6.524 1.00 70.31 H new ATOM 0 HD3 LYS A 62 -7.322 -12.744 -5.311 1.00 70.31 H new ATOM 0 HE2 LYS A 62 -8.380 -11.111 -6.807 1.00 35.41 H new ATOM 0 HE3 LYS A 62 -7.101 -11.300 -7.991 1.00 35.41 H new ATOM 0 HZ1 LYS A 62 -7.989 -13.173 -8.773 1.00 44.31 H new ATOM 0 HZ2 LYS A 62 -8.383 -13.774 -7.234 1.00 44.31 H new ATOM 0 HZ3 LYS A 62 -9.410 -12.658 -7.999 1.00 44.31 H new ATOM 1035 N LYS A 63 -3.875 -13.707 -8.503 1.00 21.44 N ATOM 1036 CA LYS A 63 -4.344 -14.667 -9.506 1.00 20.54 C ATOM 1037 C LYS A 63 -3.879 -16.076 -9.107 1.00 10.25 C ATOM 1038 O LYS A 63 -4.697 -16.973 -8.857 1.00 13.54 O ATOM 1039 CB LYS A 63 -3.821 -14.288 -10.918 1.00 0.30 C ATOM 1040 CG LYS A 63 -4.338 -15.195 -12.049 1.00 21.04 C ATOM 1041 CD LYS A 63 -3.788 -14.778 -13.431 1.00 60.43 C ATOM 1042 CE LYS A 63 -4.332 -15.640 -14.571 1.00 1.11 C ATOM 1043 NZ LYS A 63 -3.769 -15.245 -15.891 1.00 12.52 N ATOM 0 H LYS A 63 -3.179 -14.095 -7.866 1.00 21.44 H new ATOM 0 HA LYS A 63 -5.433 -14.647 -9.545 1.00 20.54 H new ATOM 0 HB2 LYS A 63 -4.107 -13.259 -11.134 1.00 0.30 H new ATOM 0 HB3 LYS A 63 -2.732 -14.322 -10.910 1.00 0.30 H new ATOM 0 HG2 LYS A 63 -4.054 -16.227 -11.843 1.00 21.04 H new ATOM 0 HG3 LYS A 63 -5.427 -15.163 -12.069 1.00 21.04 H new ATOM 0 HD2 LYS A 63 -4.042 -13.735 -13.618 1.00 60.43 H new ATOM 0 HD3 LYS A 63 -2.700 -14.844 -13.419 1.00 60.43 H new ATOM 0 HE2 LYS A 63 -4.098 -16.687 -14.376 1.00 1.11 H new ATOM 0 HE3 LYS A 63 -5.418 -15.556 -14.601 1.00 1.11 H new ATOM 0 HZ1 LYS A 63 -4.165 -15.855 -16.634 1.00 12.52 H new ATOM 0 HZ2 LYS A 63 -4.013 -14.254 -16.090 1.00 12.52 H new ATOM 0 HZ3 LYS A 63 -2.734 -15.349 -15.872 1.00 12.52 H new ATOM 1057 N GLY A 64 -2.549 -16.237 -9.036 1.00 71.33 N ATOM 1058 CA GLY A 64 -1.919 -17.509 -8.692 1.00 74.13 C ATOM 1059 C GLY A 64 -1.733 -17.673 -7.192 1.00 14.03 C ATOM 1060 O GLY A 64 -0.609 -17.634 -6.681 1.00 53.14 O ATOM 0 H GLY A 64 -1.884 -15.485 -9.217 1.00 71.33 H new ATOM 0 HA2 GLY A 64 -2.529 -18.329 -9.072 1.00 74.13 H new ATOM 0 HA3 GLY A 64 -0.950 -17.577 -9.186 1.00 74.13 H new ATOM 1064 N LEU A 65 -2.861 -17.837 -6.484 1.00 24.32 N ATOM 1065 CA LEU A 65 -2.906 -17.965 -5.018 1.00 74.01 C ATOM 1066 C LEU A 65 -4.232 -18.618 -4.581 1.00 22.40 C ATOM 1067 O LEU A 65 -4.944 -19.201 -5.406 1.00 3.41 O ATOM 1068 CB LEU A 65 -2.669 -16.554 -4.367 1.00 62.23 C ATOM 1069 CG LEU A 65 -3.381 -15.304 -5.025 1.00 73.32 C ATOM 1070 CD1 LEU A 65 -4.920 -15.353 -4.918 1.00 32.04 C ATOM 1071 CD2 LEU A 65 -2.843 -14.002 -4.414 1.00 1.14 C ATOM 0 H LEU A 65 -3.782 -17.885 -6.920 1.00 24.32 H new ATOM 0 HA LEU A 65 -2.110 -18.623 -4.669 1.00 74.01 H new ATOM 0 HB2 LEU A 65 -2.986 -16.609 -3.326 1.00 62.23 H new ATOM 0 HB3 LEU A 65 -1.596 -16.364 -4.364 1.00 62.23 H new ATOM 0 HG LEU A 65 -3.144 -15.335 -6.089 1.00 73.32 H new ATOM 0 HD11 LEU A 65 -5.346 -14.467 -5.389 1.00 32.04 H new ATOM 0 HD12 LEU A 65 -5.292 -16.245 -5.422 1.00 32.04 H new ATOM 0 HD13 LEU A 65 -5.211 -15.381 -3.868 1.00 32.04 H new ATOM 0 HD21 LEU A 65 -3.342 -13.150 -4.876 1.00 1.14 H new ATOM 0 HD22 LEU A 65 -3.035 -13.997 -3.341 1.00 1.14 H new ATOM 0 HD23 LEU A 65 -1.770 -13.934 -4.591 1.00 1.14 H new ATOM 1083 N ASP A 66 -4.535 -18.537 -3.281 1.00 14.34 N ATOM 1084 CA ASP A 66 -5.805 -19.023 -2.714 1.00 42.40 C ATOM 1085 C ASP A 66 -6.705 -17.823 -2.371 1.00 72.22 C ATOM 1086 O ASP A 66 -6.222 -16.695 -2.228 1.00 33.24 O ATOM 1087 CB ASP A 66 -5.526 -19.893 -1.455 1.00 45.22 C ATOM 1088 CG ASP A 66 -6.781 -20.626 -0.935 1.00 73.42 C ATOM 1089 OD1 ASP A 66 -7.144 -21.673 -1.508 1.00 54.35 O ATOM 1090 OD2 ASP A 66 -7.433 -20.142 0.014 1.00 22.44 O ATOM 0 H ASP A 66 -3.907 -18.132 -2.587 1.00 14.34 H new ATOM 0 HA ASP A 66 -6.321 -19.645 -3.446 1.00 42.40 H new ATOM 0 HB2 ASP A 66 -4.756 -20.627 -1.691 1.00 45.22 H new ATOM 0 HB3 ASP A 66 -5.129 -19.258 -0.663 1.00 45.22 H new ATOM 1095 N ASP A 67 -8.010 -18.082 -2.243 1.00 64.20 N ATOM 1096 CA ASP A 67 -9.025 -17.068 -1.892 1.00 74.11 C ATOM 1097 C ASP A 67 -8.722 -16.384 -0.537 1.00 61.43 C ATOM 1098 O ASP A 67 -9.024 -15.191 -0.354 1.00 25.43 O ATOM 1099 CB ASP A 67 -10.425 -17.733 -1.861 1.00 42.02 C ATOM 1100 CG ASP A 67 -11.525 -16.799 -1.344 1.00 54.14 C ATOM 1101 OD1 ASP A 67 -11.795 -15.783 -2.001 1.00 60.13 O ATOM 1102 OD2 ASP A 67 -12.112 -17.064 -0.274 1.00 13.25 O ATOM 0 H ASP A 67 -8.403 -19.013 -2.381 1.00 64.20 H new ATOM 0 HA ASP A 67 -9.002 -16.288 -2.653 1.00 74.11 H new ATOM 0 HB2 ASP A 67 -10.684 -18.068 -2.866 1.00 42.02 H new ATOM 0 HB3 ASP A 67 -10.385 -18.621 -1.230 1.00 42.02 H new ATOM 1107 N ASP A 68 -8.133 -17.162 0.391 1.00 44.52 N ATOM 1108 CA ASP A 68 -7.684 -16.675 1.704 1.00 21.25 C ATOM 1109 C ASP A 68 -6.699 -15.514 1.521 1.00 24.34 C ATOM 1110 O ASP A 68 -6.847 -14.467 2.149 1.00 64.00 O ATOM 1111 CB ASP A 68 -7.014 -17.823 2.516 1.00 73.45 C ATOM 1112 CG ASP A 68 -6.606 -17.381 3.931 1.00 73.04 C ATOM 1113 OD1 ASP A 68 -7.461 -17.412 4.839 1.00 73.31 O ATOM 1114 OD2 ASP A 68 -5.448 -16.954 4.139 1.00 45.44 O ATOM 0 H ASP A 68 -7.955 -18.156 0.246 1.00 44.52 H new ATOM 0 HA ASP A 68 -8.553 -16.323 2.260 1.00 21.25 H new ATOM 0 HB2 ASP A 68 -7.703 -18.665 2.586 1.00 73.45 H new ATOM 0 HB3 ASP A 68 -6.133 -18.176 1.981 1.00 73.45 H new ATOM 1119 N ALA A 69 -5.731 -15.715 0.605 1.00 31.10 N ATOM 1120 CA ALA A 69 -4.695 -14.730 0.295 1.00 12.13 C ATOM 1121 C ALA A 69 -5.291 -13.450 -0.323 1.00 4.14 C ATOM 1122 O ALA A 69 -4.737 -12.372 -0.123 1.00 51.13 O ATOM 1123 CB ALA A 69 -3.639 -15.347 -0.630 1.00 31.05 C ATOM 0 H ALA A 69 -5.652 -16.574 0.060 1.00 31.10 H new ATOM 0 HA ALA A 69 -4.215 -14.441 1.230 1.00 12.13 H new ATOM 0 HB1 ALA A 69 -2.873 -14.605 -0.854 1.00 31.05 H new ATOM 0 HB2 ALA A 69 -3.180 -16.204 -0.138 1.00 31.05 H new ATOM 0 HB3 ALA A 69 -4.112 -15.671 -1.557 1.00 31.05 H new ATOM 1129 N ARG A 70 -6.409 -13.582 -1.080 1.00 4.43 N ATOM 1130 CA ARG A 70 -7.129 -12.424 -1.647 1.00 10.04 C ATOM 1131 C ARG A 70 -7.721 -11.557 -0.522 1.00 63.33 C ATOM 1132 O ARG A 70 -7.547 -10.333 -0.515 1.00 61.11 O ATOM 1133 CB ARG A 70 -8.266 -12.881 -2.613 1.00 73.44 C ATOM 1134 CG ARG A 70 -9.164 -11.721 -3.127 1.00 24.41 C ATOM 1135 CD ARG A 70 -10.178 -12.133 -4.211 1.00 4.24 C ATOM 1136 NE ARG A 70 -11.186 -13.105 -3.744 1.00 63.24 N ATOM 1137 CZ ARG A 70 -12.346 -13.383 -4.391 1.00 0.42 C ATOM 1138 NH1 ARG A 70 -12.662 -12.776 -5.522 1.00 51.03 N ATOM 1139 NH2 ARG A 70 -13.177 -14.270 -3.899 1.00 34.42 N ATOM 0 H ARG A 70 -6.829 -14.483 -1.310 1.00 4.43 H new ATOM 0 HA ARG A 70 -6.411 -11.834 -2.216 1.00 10.04 H new ATOM 0 HB2 ARG A 70 -7.820 -13.388 -3.469 1.00 73.44 H new ATOM 0 HB3 ARG A 70 -8.892 -13.612 -2.101 1.00 73.44 H new ATOM 0 HG2 ARG A 70 -9.706 -11.296 -2.282 1.00 24.41 H new ATOM 0 HG3 ARG A 70 -8.525 -10.932 -3.525 1.00 24.41 H new ATOM 0 HD2 ARG A 70 -10.688 -11.242 -4.576 1.00 4.24 H new ATOM 0 HD3 ARG A 70 -9.639 -12.560 -5.056 1.00 4.24 H new ATOM 0 HE ARG A 70 -10.997 -13.603 -2.874 1.00 63.24 H new ATOM 0 HH11 ARG A 70 -12.029 -12.084 -5.924 1.00 51.03 H new ATOM 0 HH12 ARG A 70 -13.539 -12.999 -5.993 1.00 51.03 H new ATOM 0 HH21 ARG A 70 -12.952 -14.752 -3.029 1.00 34.42 H new ATOM 0 HH22 ARG A 70 -14.049 -14.478 -4.386 1.00 34.42 H new ATOM 1153 N LYS A 71 -8.417 -12.227 0.415 1.00 73.24 N ATOM 1154 CA LYS A 71 -9.099 -11.583 1.547 1.00 42.41 C ATOM 1155 C LYS A 71 -8.092 -10.855 2.454 1.00 65.14 C ATOM 1156 O LYS A 71 -8.317 -9.705 2.859 1.00 63.32 O ATOM 1157 CB LYS A 71 -9.865 -12.647 2.368 1.00 64.23 C ATOM 1158 CG LYS A 71 -10.633 -12.077 3.577 1.00 73.35 C ATOM 1159 CD LYS A 71 -11.354 -13.177 4.395 1.00 52.01 C ATOM 1160 CE LYS A 71 -12.128 -12.604 5.594 1.00 11.31 C ATOM 1161 NZ LYS A 71 -12.808 -13.662 6.389 1.00 4.02 N ATOM 0 H LYS A 71 -8.521 -13.242 0.405 1.00 73.24 H new ATOM 0 HA LYS A 71 -9.801 -10.848 1.153 1.00 42.41 H new ATOM 0 HB2 LYS A 71 -10.570 -13.158 1.712 1.00 64.23 H new ATOM 0 HB3 LYS A 71 -9.157 -13.396 2.722 1.00 64.23 H new ATOM 0 HG2 LYS A 71 -9.938 -11.543 4.226 1.00 73.35 H new ATOM 0 HG3 LYS A 71 -11.366 -11.350 3.228 1.00 73.35 H new ATOM 0 HD2 LYS A 71 -12.043 -13.716 3.745 1.00 52.01 H new ATOM 0 HD3 LYS A 71 -10.621 -13.900 4.752 1.00 52.01 H new ATOM 0 HE2 LYS A 71 -11.441 -12.055 6.238 1.00 11.31 H new ATOM 0 HE3 LYS A 71 -12.869 -11.889 5.236 1.00 11.31 H new ATOM 0 HZ1 LYS A 71 -13.315 -13.226 7.185 1.00 4.02 H new ATOM 0 HZ2 LYS A 71 -13.484 -14.170 5.784 1.00 4.02 H new ATOM 0 HZ3 LYS A 71 -12.100 -14.331 6.754 1.00 4.02 H new ATOM 1175 N LYS A 72 -6.988 -11.555 2.767 1.00 12.11 N ATOM 1176 CA LYS A 72 -5.910 -11.030 3.618 1.00 44.21 C ATOM 1177 C LYS A 72 -5.244 -9.807 2.976 1.00 10.45 C ATOM 1178 O LYS A 72 -4.994 -8.812 3.653 1.00 42.51 O ATOM 1179 CB LYS A 72 -4.838 -12.117 3.860 1.00 5.13 C ATOM 1180 CG LYS A 72 -5.308 -13.345 4.666 1.00 70.30 C ATOM 1181 CD LYS A 72 -5.710 -12.996 6.112 1.00 43.15 C ATOM 1182 CE LYS A 72 -6.044 -14.243 6.954 1.00 45.53 C ATOM 1183 NZ LYS A 72 -7.146 -15.053 6.367 1.00 14.53 N ATOM 0 H LYS A 72 -6.819 -12.504 2.435 1.00 12.11 H new ATOM 0 HA LYS A 72 -6.356 -10.733 4.567 1.00 44.21 H new ATOM 0 HB2 LYS A 72 -4.467 -12.459 2.894 1.00 5.13 H new ATOM 0 HB3 LYS A 72 -3.996 -11.662 4.382 1.00 5.13 H new ATOM 0 HG2 LYS A 72 -6.157 -13.803 4.159 1.00 70.30 H new ATOM 0 HG3 LYS A 72 -4.510 -14.087 4.685 1.00 70.30 H new ATOM 0 HD2 LYS A 72 -4.897 -12.448 6.589 1.00 43.15 H new ATOM 0 HD3 LYS A 72 -6.575 -12.332 6.094 1.00 43.15 H new ATOM 0 HE2 LYS A 72 -5.152 -14.863 7.047 1.00 45.53 H new ATOM 0 HE3 LYS A 72 -6.323 -13.933 7.961 1.00 45.53 H new ATOM 0 HZ1 LYS A 72 -7.874 -15.224 7.090 1.00 14.53 H new ATOM 0 HZ2 LYS A 72 -7.566 -14.539 5.567 1.00 14.53 H new ATOM 0 HZ3 LYS A 72 -6.769 -15.963 6.034 1.00 14.53 H new ATOM 1197 N ALA A 73 -4.961 -9.921 1.664 1.00 61.35 N ATOM 1198 CA ALA A 73 -4.284 -8.879 0.879 1.00 12.33 C ATOM 1199 C ALA A 73 -5.133 -7.625 0.743 1.00 14.01 C ATOM 1200 O ALA A 73 -4.610 -6.508 0.720 1.00 75.52 O ATOM 1201 CB ALA A 73 -3.936 -9.406 -0.508 1.00 11.53 C ATOM 0 H ALA A 73 -5.200 -10.748 1.117 1.00 61.35 H new ATOM 0 HA ALA A 73 -3.373 -8.614 1.415 1.00 12.33 H new ATOM 0 HB1 ALA A 73 -3.435 -8.624 -1.079 1.00 11.53 H new ATOM 0 HB2 ALA A 73 -3.275 -10.267 -0.415 1.00 11.53 H new ATOM 0 HB3 ALA A 73 -4.849 -9.704 -1.024 1.00 11.53 H new ATOM 1207 N LYS A 74 -6.444 -7.844 0.613 1.00 72.43 N ATOM 1208 CA LYS A 74 -7.419 -6.773 0.509 1.00 2.31 C ATOM 1209 C LYS A 74 -7.456 -5.967 1.809 1.00 51.21 C ATOM 1210 O LYS A 74 -7.320 -4.742 1.788 1.00 52.33 O ATOM 1211 CB LYS A 74 -8.805 -7.358 0.168 1.00 33.22 C ATOM 1212 CG LYS A 74 -9.921 -6.299 0.050 1.00 53.50 C ATOM 1213 CD LYS A 74 -11.278 -6.892 -0.348 1.00 61.05 C ATOM 1214 CE LYS A 74 -11.832 -7.893 0.681 1.00 53.14 C ATOM 1215 NZ LYS A 74 -13.171 -8.394 0.278 1.00 31.24 N ATOM 0 H LYS A 74 -6.854 -8.777 0.577 1.00 72.43 H new ATOM 0 HA LYS A 74 -7.131 -6.096 -0.295 1.00 2.31 H new ATOM 0 HB2 LYS A 74 -8.736 -7.905 -0.773 1.00 33.22 H new ATOM 0 HB3 LYS A 74 -9.083 -8.080 0.936 1.00 33.22 H new ATOM 0 HG2 LYS A 74 -10.024 -5.781 1.004 1.00 53.50 H new ATOM 0 HG3 LYS A 74 -9.628 -5.552 -0.688 1.00 53.50 H new ATOM 0 HD2 LYS A 74 -11.996 -6.082 -0.479 1.00 61.05 H new ATOM 0 HD3 LYS A 74 -11.180 -7.390 -1.312 1.00 61.05 H new ATOM 0 HE2 LYS A 74 -11.143 -8.731 0.784 1.00 53.14 H new ATOM 0 HE3 LYS A 74 -11.899 -7.414 1.658 1.00 53.14 H new ATOM 0 HZ1 LYS A 74 -13.519 -9.067 0.991 1.00 31.24 H new ATOM 0 HZ2 LYS A 74 -13.833 -7.595 0.204 1.00 31.24 H new ATOM 0 HZ3 LYS A 74 -13.100 -8.871 -0.643 1.00 31.24 H new ATOM 1229 N LYS A 75 -7.588 -6.694 2.931 1.00 13.10 N ATOM 1230 CA LYS A 75 -7.610 -6.116 4.279 1.00 11.03 C ATOM 1231 C LYS A 75 -6.301 -5.336 4.549 1.00 1.23 C ATOM 1232 O LYS A 75 -6.335 -4.215 5.065 1.00 4.41 O ATOM 1233 CB LYS A 75 -7.796 -7.257 5.322 1.00 21.13 C ATOM 1234 CG LYS A 75 -7.974 -6.778 6.780 1.00 62.22 C ATOM 1235 CD LYS A 75 -9.248 -5.909 6.968 1.00 70.15 C ATOM 1236 CE LYS A 75 -9.429 -5.419 8.410 1.00 31.41 C ATOM 1237 NZ LYS A 75 -10.607 -4.518 8.549 1.00 64.55 N ATOM 0 H LYS A 75 -7.683 -7.710 2.924 1.00 13.10 H new ATOM 0 HA LYS A 75 -8.442 -5.417 4.363 1.00 11.03 H new ATOM 0 HB2 LYS A 75 -8.666 -7.850 5.040 1.00 21.13 H new ATOM 0 HB3 LYS A 75 -6.931 -7.918 5.275 1.00 21.13 H new ATOM 0 HG2 LYS A 75 -8.028 -7.644 7.440 1.00 62.22 H new ATOM 0 HG3 LYS A 75 -7.098 -6.203 7.080 1.00 62.22 H new ATOM 0 HD2 LYS A 75 -9.196 -5.048 6.301 1.00 70.15 H new ATOM 0 HD3 LYS A 75 -10.123 -6.488 6.674 1.00 70.15 H new ATOM 0 HE2 LYS A 75 -9.548 -6.277 9.072 1.00 31.41 H new ATOM 0 HE3 LYS A 75 -8.530 -4.892 8.730 1.00 31.41 H new ATOM 0 HZ1 LYS A 75 -10.693 -4.210 9.538 1.00 64.55 H new ATOM 0 HZ2 LYS A 75 -10.482 -3.687 7.937 1.00 64.55 H new ATOM 0 HZ3 LYS A 75 -11.469 -5.028 8.269 1.00 64.55 H new ATOM 1251 N TRP A 76 -5.177 -5.947 4.120 1.00 51.10 N ATOM 1252 CA TRP A 76 -3.808 -5.419 4.262 1.00 34.33 C ATOM 1253 C TRP A 76 -3.665 -4.064 3.550 1.00 71.34 C ATOM 1254 O TRP A 76 -3.307 -3.065 4.173 1.00 63.53 O ATOM 1255 CB TRP A 76 -2.817 -6.459 3.664 1.00 61.22 C ATOM 1256 CG TRP A 76 -1.346 -6.124 3.782 1.00 44.14 C ATOM 1257 CD1 TRP A 76 -0.532 -6.398 4.838 1.00 23.41 C ATOM 1258 CD2 TRP A 76 -0.510 -5.487 2.794 1.00 30.23 C ATOM 1259 NE1 TRP A 76 0.735 -5.972 4.576 1.00 72.22 N ATOM 1260 CE2 TRP A 76 0.779 -5.410 3.337 1.00 55.41 C ATOM 1261 CE3 TRP A 76 -0.733 -4.973 1.514 1.00 11.31 C ATOM 1262 CZ2 TRP A 76 1.849 -4.845 2.653 1.00 61.12 C ATOM 1263 CZ3 TRP A 76 0.328 -4.412 0.830 1.00 14.34 C ATOM 1264 CH2 TRP A 76 1.609 -4.351 1.405 1.00 34.21 C ATOM 0 H TRP A 76 -5.201 -6.852 3.650 1.00 51.10 H new ATOM 0 HA TRP A 76 -3.586 -5.257 5.317 1.00 34.33 H new ATOM 0 HB2 TRP A 76 -2.990 -7.418 4.153 1.00 61.22 H new ATOM 0 HB3 TRP A 76 -3.055 -6.591 2.609 1.00 61.22 H new ATOM 0 HD1 TRP A 76 -0.845 -6.883 5.751 1.00 23.41 H new ATOM 0 HE1 TRP A 76 1.529 -6.061 5.211 1.00 72.22 H new ATOM 0 HE3 TRP A 76 -1.716 -5.014 1.068 1.00 11.31 H new ATOM 0 HZ2 TRP A 76 2.834 -4.799 3.094 1.00 61.12 H new ATOM 0 HZ3 TRP A 76 0.171 -4.014 -0.162 1.00 14.34 H new ATOM 0 HH2 TRP A 76 2.419 -3.904 0.848 1.00 34.21 H new ATOM 1275 N ALA A 77 -3.996 -4.049 2.246 1.00 32.31 N ATOM 1276 CA ALA A 77 -3.784 -2.886 1.364 1.00 64.50 C ATOM 1277 C ALA A 77 -4.679 -1.702 1.741 1.00 44.24 C ATOM 1278 O ALA A 77 -4.290 -0.543 1.549 1.00 45.03 O ATOM 1279 CB ALA A 77 -4.017 -3.282 -0.090 1.00 65.32 C ATOM 0 H ALA A 77 -4.420 -4.847 1.772 1.00 32.31 H new ATOM 0 HA ALA A 77 -2.751 -2.563 1.492 1.00 64.50 H new ATOM 0 HB1 ALA A 77 -3.858 -2.416 -0.733 1.00 65.32 H new ATOM 0 HB2 ALA A 77 -3.320 -4.073 -0.368 1.00 65.32 H new ATOM 0 HB3 ALA A 77 -5.039 -3.640 -0.210 1.00 65.32 H new ATOM 1285 N LEU A 78 -5.884 -2.008 2.263 1.00 14.43 N ATOM 1286 CA LEU A 78 -6.812 -0.986 2.772 1.00 11.23 C ATOM 1287 C LEU A 78 -6.223 -0.314 4.024 1.00 22.22 C ATOM 1288 O LEU A 78 -6.328 0.903 4.188 1.00 62.43 O ATOM 1289 CB LEU A 78 -8.204 -1.605 3.083 1.00 4.41 C ATOM 1290 CG LEU A 78 -9.000 -2.133 1.849 1.00 54.34 C ATOM 1291 CD1 LEU A 78 -10.303 -2.827 2.275 1.00 22.12 C ATOM 1292 CD2 LEU A 78 -9.283 -0.999 0.847 1.00 33.04 C ATOM 0 H LEU A 78 -6.236 -2.962 2.342 1.00 14.43 H new ATOM 0 HA LEU A 78 -6.949 -0.228 2.000 1.00 11.23 H new ATOM 0 HB2 LEU A 78 -8.067 -2.429 3.783 1.00 4.41 H new ATOM 0 HB3 LEU A 78 -8.810 -0.854 3.589 1.00 4.41 H new ATOM 0 HG LEU A 78 -8.378 -2.877 1.351 1.00 54.34 H new ATOM 0 HD11 LEU A 78 -10.832 -3.182 1.391 1.00 22.12 H new ATOM 0 HD12 LEU A 78 -10.070 -3.672 2.923 1.00 22.12 H new ATOM 0 HD13 LEU A 78 -10.933 -2.119 2.814 1.00 22.12 H new ATOM 0 HD21 LEU A 78 -9.839 -1.395 -0.003 1.00 33.04 H new ATOM 0 HD22 LEU A 78 -9.871 -0.221 1.334 1.00 33.04 H new ATOM 0 HD23 LEU A 78 -8.340 -0.577 0.499 1.00 33.04 H new ATOM 1304 N GLU A 79 -5.580 -1.125 4.896 1.00 71.13 N ATOM 1305 CA GLU A 79 -4.896 -0.616 6.101 1.00 31.14 C ATOM 1306 C GLU A 79 -3.685 0.253 5.717 1.00 14.31 C ATOM 1307 O GLU A 79 -3.431 1.247 6.383 1.00 11.00 O ATOM 1308 CB GLU A 79 -4.443 -1.766 7.039 1.00 45.33 C ATOM 1309 CG GLU A 79 -5.588 -2.593 7.646 1.00 3.23 C ATOM 1310 CD GLU A 79 -5.114 -3.747 8.544 1.00 24.35 C ATOM 1311 OE1 GLU A 79 -4.181 -4.466 8.148 1.00 24.24 O ATOM 1312 OE2 GLU A 79 -5.689 -3.966 9.637 1.00 30.24 O ATOM 0 H GLU A 79 -5.522 -2.137 4.784 1.00 71.13 H new ATOM 0 HA GLU A 79 -5.618 -0.004 6.642 1.00 31.14 H new ATOM 0 HB2 GLU A 79 -3.788 -2.434 6.481 1.00 45.33 H new ATOM 0 HB3 GLU A 79 -3.850 -1.342 7.850 1.00 45.33 H new ATOM 0 HG2 GLU A 79 -6.231 -1.933 8.228 1.00 3.23 H new ATOM 0 HG3 GLU A 79 -6.197 -3.000 6.839 1.00 3.23 H new ATOM 1319 N VAL A 80 -2.955 -0.139 4.637 1.00 22.24 N ATOM 1320 CA VAL A 80 -1.808 0.636 4.102 1.00 73.33 C ATOM 1321 C VAL A 80 -2.279 2.030 3.631 1.00 32.24 C ATOM 1322 O VAL A 80 -1.646 3.048 3.946 1.00 24.32 O ATOM 1323 CB VAL A 80 -1.093 -0.108 2.903 1.00 35.42 C ATOM 1324 CG1 VAL A 80 0.096 0.712 2.335 1.00 30.13 C ATOM 1325 CG2 VAL A 80 -0.609 -1.511 3.319 1.00 63.21 C ATOM 0 H VAL A 80 -3.146 -0.996 4.118 1.00 22.24 H new ATOM 0 HA VAL A 80 -1.086 0.740 4.912 1.00 73.33 H new ATOM 0 HB VAL A 80 -1.840 -0.213 2.116 1.00 35.42 H new ATOM 0 HG11 VAL A 80 0.557 0.163 1.514 1.00 30.13 H new ATOM 0 HG12 VAL A 80 -0.266 1.673 1.971 1.00 30.13 H new ATOM 0 HG13 VAL A 80 0.833 0.876 3.121 1.00 30.13 H new ATOM 0 HG21 VAL A 80 -0.123 -1.994 2.472 1.00 63.21 H new ATOM 0 HG22 VAL A 80 0.100 -1.422 4.142 1.00 63.21 H new ATOM 0 HG23 VAL A 80 -1.462 -2.110 3.638 1.00 63.21 H new ATOM 1335 N ALA A 81 -3.416 2.046 2.894 1.00 43.44 N ATOM 1336 CA ALA A 81 -4.029 3.275 2.354 1.00 42.42 C ATOM 1337 C ALA A 81 -4.371 4.265 3.484 1.00 62.55 C ATOM 1338 O ALA A 81 -3.970 5.433 3.440 1.00 11.15 O ATOM 1339 CB ALA A 81 -5.290 2.926 1.539 1.00 12.41 C ATOM 0 H ALA A 81 -3.933 1.199 2.658 1.00 43.44 H new ATOM 0 HA ALA A 81 -3.307 3.757 1.694 1.00 42.42 H new ATOM 0 HB1 ALA A 81 -5.734 3.841 1.146 1.00 12.41 H new ATOM 0 HB2 ALA A 81 -5.019 2.270 0.712 1.00 12.41 H new ATOM 0 HB3 ALA A 81 -6.011 2.421 2.182 1.00 12.41 H new ATOM 1345 N ASN A 82 -5.088 3.761 4.515 1.00 51.34 N ATOM 1346 CA ASN A 82 -5.519 4.573 5.678 1.00 12.34 C ATOM 1347 C ASN A 82 -4.333 4.931 6.602 1.00 32.32 C ATOM 1348 O ASN A 82 -4.379 5.954 7.291 1.00 41.43 O ATOM 1349 CB ASN A 82 -6.630 3.848 6.499 1.00 5.35 C ATOM 1350 CG ASN A 82 -7.991 3.832 5.784 1.00 31.11 C ATOM 1351 OD1 ASN A 82 -8.764 4.787 5.874 1.00 73.34 O ATOM 1352 ND2 ASN A 82 -8.310 2.751 5.091 1.00 52.12 N ATOM 0 H ASN A 82 -5.383 2.786 4.565 1.00 51.34 H new ATOM 0 HA ASN A 82 -5.929 5.499 5.275 1.00 12.34 H new ATOM 0 HB2 ASN A 82 -6.317 2.823 6.697 1.00 5.35 H new ATOM 0 HB3 ASN A 82 -6.739 4.340 7.466 1.00 5.35 H new ATOM 0 HD21 ASN A 82 -9.212 2.696 4.618 1.00 52.12 H new ATOM 0 HD22 ASN A 82 -7.654 1.972 5.030 1.00 52.12 H new ATOM 1359 N LYS A 83 -3.292 4.066 6.619 1.00 44.13 N ATOM 1360 CA LYS A 83 -2.077 4.252 7.445 1.00 11.01 C ATOM 1361 C LYS A 83 -1.347 5.537 7.015 1.00 61.34 C ATOM 1362 O LYS A 83 -1.079 6.418 7.838 1.00 24.22 O ATOM 1363 CB LYS A 83 -1.120 3.024 7.306 1.00 65.21 C ATOM 1364 CG LYS A 83 0.116 3.048 8.233 1.00 44.03 C ATOM 1365 CD LYS A 83 -0.235 2.774 9.712 1.00 55.05 C ATOM 1366 CE LYS A 83 0.987 2.894 10.634 1.00 32.35 C ATOM 1367 NZ LYS A 83 0.630 2.682 12.057 1.00 32.20 N ATOM 0 H LYS A 83 -3.272 3.215 6.057 1.00 44.13 H new ATOM 0 HA LYS A 83 -2.377 4.338 8.489 1.00 11.01 H new ATOM 0 HB2 LYS A 83 -1.688 2.116 7.507 1.00 65.21 H new ATOM 0 HB3 LYS A 83 -0.779 2.964 6.273 1.00 65.21 H new ATOM 0 HG2 LYS A 83 0.834 2.303 7.891 1.00 44.03 H new ATOM 0 HG3 LYS A 83 0.603 4.020 8.155 1.00 44.03 H new ATOM 0 HD2 LYS A 83 -1.003 3.476 10.037 1.00 55.05 H new ATOM 0 HD3 LYS A 83 -0.659 1.774 9.803 1.00 55.05 H new ATOM 0 HE2 LYS A 83 1.739 2.164 10.336 1.00 32.35 H new ATOM 0 HE3 LYS A 83 1.435 3.880 10.515 1.00 32.35 H new ATOM 0 HZ1 LYS A 83 1.483 2.771 12.646 1.00 32.20 H new ATOM 0 HZ2 LYS A 83 -0.069 3.394 12.349 1.00 32.20 H new ATOM 0 HZ3 LYS A 83 0.226 1.731 12.176 1.00 32.20 H new ATOM 1381 N ILE A 84 -1.094 5.632 5.697 1.00 3.32 N ATOM 1382 CA ILE A 84 -0.408 6.770 5.061 1.00 44.02 C ATOM 1383 C ILE A 84 -1.290 8.038 5.146 1.00 11.43 C ATOM 1384 O ILE A 84 -0.803 9.137 5.469 1.00 3.41 O ATOM 1385 CB ILE A 84 -0.083 6.424 3.554 1.00 2.40 C ATOM 1386 CG1 ILE A 84 0.773 5.116 3.453 1.00 63.32 C ATOM 1387 CG2 ILE A 84 0.626 7.597 2.848 1.00 21.12 C ATOM 1388 CD1 ILE A 84 0.930 4.560 2.040 1.00 51.20 C ATOM 0 H ILE A 84 -1.366 4.907 5.033 1.00 3.32 H new ATOM 0 HA ILE A 84 0.527 6.963 5.587 1.00 44.02 H new ATOM 0 HB ILE A 84 -1.031 6.253 3.043 1.00 2.40 H new ATOM 0 HG12 ILE A 84 1.764 5.315 3.862 1.00 63.32 H new ATOM 0 HG13 ILE A 84 0.316 4.351 4.081 1.00 63.32 H new ATOM 0 HG21 ILE A 84 0.835 7.326 1.813 1.00 21.12 H new ATOM 0 HG22 ILE A 84 -0.017 8.477 2.870 1.00 21.12 H new ATOM 0 HG23 ILE A 84 1.562 7.819 3.361 1.00 21.12 H new ATOM 0 HD11 ILE A 84 1.537 3.655 2.070 1.00 51.20 H new ATOM 0 HD12 ILE A 84 -0.052 4.324 1.631 1.00 51.20 H new ATOM 0 HD13 ILE A 84 1.417 5.303 1.409 1.00 51.20 H new ATOM 1400 N ALA A 85 -2.605 7.853 4.883 1.00 44.14 N ATOM 1401 CA ALA A 85 -3.607 8.936 4.931 1.00 14.12 C ATOM 1402 C ALA A 85 -3.737 9.524 6.349 1.00 53.23 C ATOM 1403 O ALA A 85 -4.045 10.704 6.501 1.00 4.14 O ATOM 1404 CB ALA A 85 -4.973 8.436 4.423 1.00 21.44 C ATOM 0 H ALA A 85 -2.998 6.946 4.632 1.00 44.14 H new ATOM 0 HA ALA A 85 -3.262 9.734 4.273 1.00 14.12 H new ATOM 0 HB1 ALA A 85 -5.697 9.249 4.467 1.00 21.44 H new ATOM 0 HB2 ALA A 85 -4.875 8.092 3.393 1.00 21.44 H new ATOM 0 HB3 ALA A 85 -5.315 7.612 5.049 1.00 21.44 H new ATOM 1410 N ASN A 86 -3.504 8.683 7.376 1.00 53.13 N ATOM 1411 CA ASN A 86 -3.537 9.103 8.793 1.00 71.10 C ATOM 1412 C ASN A 86 -2.327 9.987 9.127 1.00 22.04 C ATOM 1413 O ASN A 86 -2.476 11.033 9.767 1.00 54.25 O ATOM 1414 CB ASN A 86 -3.563 7.857 9.723 1.00 5.13 C ATOM 1415 CG ASN A 86 -3.584 8.189 11.229 1.00 44.33 C ATOM 1416 OD1 ASN A 86 -4.651 8.291 11.834 1.00 61.13 O ATOM 1417 ND2 ASN A 86 -2.413 8.367 11.836 1.00 45.40 N ATOM 0 H ASN A 86 -3.288 7.694 7.248 1.00 53.13 H new ATOM 0 HA ASN A 86 -4.444 9.685 8.956 1.00 71.10 H new ATOM 0 HB2 ASN A 86 -4.441 7.257 9.483 1.00 5.13 H new ATOM 0 HB3 ASN A 86 -2.689 7.242 9.511 1.00 5.13 H new ATOM 0 HD21 ASN A 86 -2.383 8.595 12.830 1.00 45.40 H new ATOM 0 HD22 ASN A 86 -1.545 8.276 11.307 1.00 45.40 H new ATOM 1424 N GLU A 87 -1.130 9.543 8.687 1.00 52.02 N ATOM 1425 CA GLU A 87 0.144 10.206 9.015 1.00 11.24 C ATOM 1426 C GLU A 87 0.198 11.631 8.447 1.00 40.44 C ATOM 1427 O GLU A 87 0.442 12.591 9.186 1.00 75.43 O ATOM 1428 CB GLU A 87 1.346 9.374 8.484 1.00 75.14 C ATOM 1429 CG GLU A 87 1.481 7.964 9.099 1.00 73.41 C ATOM 1430 CD GLU A 87 1.625 7.990 10.632 1.00 40.55 C ATOM 1431 OE1 GLU A 87 2.740 8.238 11.130 1.00 24.13 O ATOM 1432 OE2 GLU A 87 0.617 7.794 11.344 1.00 51.32 O ATOM 0 H GLU A 87 -1.023 8.718 8.097 1.00 52.02 H new ATOM 0 HA GLU A 87 0.210 10.272 10.101 1.00 11.24 H new ATOM 0 HB2 GLU A 87 1.252 9.276 7.403 1.00 75.14 H new ATOM 0 HB3 GLU A 87 2.265 9.928 8.675 1.00 75.14 H new ATOM 0 HG2 GLU A 87 0.606 7.371 8.831 1.00 73.41 H new ATOM 0 HG3 GLU A 87 2.348 7.466 8.666 1.00 73.41 H new ATOM 1439 N LEU A 88 -0.042 11.756 7.132 1.00 74.11 N ATOM 1440 CA LEU A 88 0.053 13.051 6.417 1.00 73.01 C ATOM 1441 C LEU A 88 -1.262 13.852 6.516 1.00 11.51 C ATOM 1442 O LEU A 88 -1.252 15.090 6.475 1.00 32.05 O ATOM 1443 CB LEU A 88 0.473 12.831 4.933 1.00 74.21 C ATOM 1444 CG LEU A 88 1.927 12.279 4.688 1.00 73.11 C ATOM 1445 CD1 LEU A 88 2.998 13.140 5.388 1.00 44.05 C ATOM 1446 CD2 LEU A 88 2.073 10.789 5.069 1.00 22.22 C ATOM 0 H LEU A 88 -0.306 10.973 6.534 1.00 74.11 H new ATOM 0 HA LEU A 88 0.827 13.644 6.903 1.00 73.01 H new ATOM 0 HB2 LEU A 88 -0.236 12.140 4.477 1.00 74.21 H new ATOM 0 HB3 LEU A 88 0.376 13.781 4.407 1.00 74.21 H new ATOM 0 HG LEU A 88 2.096 12.349 3.613 1.00 73.11 H new ATOM 0 HD11 LEU A 88 3.986 12.722 5.192 1.00 44.05 H new ATOM 0 HD12 LEU A 88 2.953 14.160 5.005 1.00 44.05 H new ATOM 0 HD13 LEU A 88 2.814 13.147 6.462 1.00 44.05 H new ATOM 0 HD21 LEU A 88 3.096 10.463 4.879 1.00 22.22 H new ATOM 0 HD22 LEU A 88 1.841 10.659 6.126 1.00 22.22 H new ATOM 0 HD23 LEU A 88 1.385 10.191 4.471 1.00 22.22 H new ATOM 1458 N GLY A 89 -2.385 13.137 6.645 1.00 15.02 N ATOM 1459 CA GLY A 89 -3.710 13.755 6.779 1.00 3.14 C ATOM 1460 C GLY A 89 -4.286 14.097 5.417 1.00 2.43 C ATOM 1461 O GLY A 89 -4.798 15.198 5.202 1.00 72.14 O ATOM 0 H GLY A 89 -2.402 12.117 6.660 1.00 15.02 H new ATOM 0 HA2 GLY A 89 -4.382 13.075 7.303 1.00 3.14 H new ATOM 0 HA3 GLY A 89 -3.635 14.658 7.384 1.00 3.14 H new ATOM 1465 N ALA A 90 -4.198 13.132 4.491 1.00 24.24 N ATOM 1466 CA ALA A 90 -4.488 13.344 3.061 1.00 31.41 C ATOM 1467 C ALA A 90 -5.770 12.607 2.632 1.00 14.33 C ATOM 1468 O ALA A 90 -6.500 12.075 3.475 1.00 72.33 O ATOM 1469 CB ALA A 90 -3.273 12.898 2.245 1.00 2.14 C ATOM 0 H ALA A 90 -3.922 12.175 4.712 1.00 24.24 H new ATOM 0 HA ALA A 90 -4.671 14.403 2.878 1.00 31.41 H new ATOM 0 HB1 ALA A 90 -3.472 13.049 1.184 1.00 2.14 H new ATOM 0 HB2 ALA A 90 -2.403 13.485 2.538 1.00 2.14 H new ATOM 0 HB3 ALA A 90 -3.078 11.842 2.431 1.00 2.14 H new ATOM 1475 N LYS A 91 -6.035 12.580 1.309 1.00 75.34 N ATOM 1476 CA LYS A 91 -7.322 12.118 0.753 1.00 5.20 C ATOM 1477 C LYS A 91 -7.415 10.578 0.653 1.00 14.12 C ATOM 1478 O LYS A 91 -6.480 9.855 1.013 1.00 52.42 O ATOM 1479 CB LYS A 91 -7.562 12.788 -0.627 1.00 73.03 C ATOM 1480 CG LYS A 91 -7.642 14.328 -0.556 1.00 0.31 C ATOM 1481 CD LYS A 91 -8.062 14.971 -1.895 1.00 52.10 C ATOM 1482 CE LYS A 91 -8.190 16.496 -1.802 1.00 45.42 C ATOM 1483 NZ LYS A 91 -8.617 17.105 -3.090 1.00 23.11 N ATOM 0 H LYS A 91 -5.365 12.877 0.600 1.00 75.34 H new ATOM 0 HA LYS A 91 -8.109 12.419 1.444 1.00 5.20 H new ATOM 0 HB2 LYS A 91 -6.757 12.504 -1.305 1.00 73.03 H new ATOM 0 HB3 LYS A 91 -8.488 12.403 -1.053 1.00 73.03 H new ATOM 0 HG2 LYS A 91 -8.354 14.614 0.218 1.00 0.31 H new ATOM 0 HG3 LYS A 91 -6.671 14.724 -0.258 1.00 0.31 H new ATOM 0 HD2 LYS A 91 -7.329 14.718 -2.661 1.00 52.10 H new ATOM 0 HD3 LYS A 91 -9.015 14.549 -2.213 1.00 52.10 H new ATOM 0 HE2 LYS A 91 -8.911 16.751 -1.025 1.00 45.42 H new ATOM 0 HE3 LYS A 91 -7.233 16.921 -1.501 1.00 45.42 H new ATOM 0 HZ1 LYS A 91 -8.170 18.038 -3.198 1.00 23.11 H new ATOM 0 HZ2 LYS A 91 -8.329 16.489 -3.877 1.00 23.11 H new ATOM 0 HZ3 LYS A 91 -9.651 17.215 -3.096 1.00 23.11 H new ATOM 1497 N GLN A 92 -8.577 10.105 0.161 1.00 72.20 N ATOM 1498 CA GLN A 92 -8.931 8.673 0.097 1.00 5.13 C ATOM 1499 C GLN A 92 -8.362 7.978 -1.164 1.00 74.15 C ATOM 1500 O GLN A 92 -7.585 8.566 -1.931 1.00 52.32 O ATOM 1501 CB GLN A 92 -10.482 8.533 0.166 1.00 1.44 C ATOM 1502 CG GLN A 92 -11.118 9.053 1.474 1.00 13.14 C ATOM 1503 CD GLN A 92 -10.658 8.289 2.723 1.00 2.23 C ATOM 1504 OE1 GLN A 92 -11.268 7.296 3.111 1.00 13.15 O ATOM 1505 NE2 GLN A 92 -9.583 8.736 3.354 1.00 22.10 N ATOM 0 H GLN A 92 -9.306 10.715 -0.208 1.00 72.20 H new ATOM 0 HA GLN A 92 -8.477 8.168 0.949 1.00 5.13 H new ATOM 0 HB2 GLN A 92 -10.920 9.072 -0.674 1.00 1.44 H new ATOM 0 HB3 GLN A 92 -10.744 7.482 0.043 1.00 1.44 H new ATOM 0 HG2 GLN A 92 -10.874 10.109 1.593 1.00 13.14 H new ATOM 0 HG3 GLN A 92 -12.203 8.984 1.394 1.00 13.14 H new ATOM 0 HE21 GLN A 92 -9.096 9.563 3.009 1.00 22.10 H new ATOM 0 HE22 GLN A 92 -9.242 8.253 4.185 1.00 22.10 H new ATOM 1514 N SER A 93 -8.769 6.711 -1.357 1.00 65.11 N ATOM 1515 CA SER A 93 -8.280 5.841 -2.435 1.00 10.12 C ATOM 1516 C SER A 93 -9.438 5.282 -3.274 1.00 3.22 C ATOM 1517 O SER A 93 -10.535 5.043 -2.756 1.00 53.53 O ATOM 1518 CB SER A 93 -7.467 4.677 -1.819 1.00 23.24 C ATOM 1519 OG SER A 93 -8.232 3.907 -0.905 1.00 1.45 O ATOM 0 H SER A 93 -9.458 6.258 -0.757 1.00 65.11 H new ATOM 0 HA SER A 93 -7.646 6.432 -3.096 1.00 10.12 H new ATOM 0 HB2 SER A 93 -7.101 4.031 -2.617 1.00 23.24 H new ATOM 0 HB3 SER A 93 -6.592 5.079 -1.308 1.00 23.24 H new ATOM 0 HG SER A 93 -7.679 3.184 -0.543 1.00 1.45 H new ATOM 1525 N THR A 94 -9.181 5.087 -4.574 1.00 34.54 N ATOM 1526 CA THR A 94 -10.063 4.324 -5.467 1.00 72.54 C ATOM 1527 C THR A 94 -9.530 2.882 -5.533 1.00 22.43 C ATOM 1528 O THR A 94 -8.314 2.664 -5.454 1.00 11.20 O ATOM 1529 CB THR A 94 -10.143 4.965 -6.899 1.00 43.43 C ATOM 1530 OG1 THR A 94 -11.050 4.212 -7.728 1.00 11.25 O ATOM 1531 CG2 THR A 94 -8.767 5.067 -7.590 1.00 22.05 C ATOM 0 H THR A 94 -8.351 5.456 -5.038 1.00 34.54 H new ATOM 0 HA THR A 94 -11.080 4.335 -5.074 1.00 72.54 H new ATOM 0 HB THR A 94 -10.512 5.982 -6.768 1.00 43.43 H new ATOM 0 HG1 THR A 94 -11.095 4.620 -8.618 1.00 11.25 H new ATOM 0 HG21 THR A 94 -8.887 5.518 -8.575 1.00 22.05 H new ATOM 0 HG22 THR A 94 -8.102 5.685 -6.987 1.00 22.05 H new ATOM 0 HG23 THR A 94 -8.339 4.070 -7.697 1.00 22.05 H new ATOM 1539 N THR A 95 -10.429 1.895 -5.622 1.00 54.40 N ATOM 1540 CA THR A 95 -10.049 0.470 -5.576 1.00 34.41 C ATOM 1541 C THR A 95 -10.611 -0.284 -6.785 1.00 42.31 C ATOM 1542 O THR A 95 -11.732 -0.014 -7.242 1.00 23.13 O ATOM 1543 CB THR A 95 -10.539 -0.233 -4.254 1.00 71.44 C ATOM 1544 OG1 THR A 95 -11.979 -0.248 -4.198 1.00 1.24 O ATOM 1545 CG2 THR A 95 -10.002 0.459 -2.987 1.00 32.42 C ATOM 0 H THR A 95 -11.431 2.054 -5.727 1.00 54.40 H new ATOM 0 HA THR A 95 -8.960 0.438 -5.598 1.00 34.41 H new ATOM 0 HB THR A 95 -10.149 -1.250 -4.280 1.00 71.44 H new ATOM 0 HG1 THR A 95 -12.270 -0.689 -3.373 1.00 1.24 H new ATOM 0 HG21 THR A 95 -10.369 -0.064 -2.104 1.00 32.42 H new ATOM 0 HG22 THR A 95 -8.912 0.438 -2.995 1.00 32.42 H new ATOM 0 HG23 THR A 95 -10.345 1.494 -2.964 1.00 32.42 H new ATOM 1553 N THR A 96 -9.798 -1.205 -7.307 1.00 15.12 N ATOM 1554 CA THR A 96 -10.206 -2.244 -8.248 1.00 14.13 C ATOM 1555 C THR A 96 -9.855 -3.602 -7.618 1.00 30.14 C ATOM 1556 O THR A 96 -8.671 -3.938 -7.461 1.00 34.42 O ATOM 1557 CB THR A 96 -9.496 -2.071 -9.629 1.00 64.01 C ATOM 1558 OG1 THR A 96 -9.756 -0.748 -10.130 1.00 15.54 O ATOM 1559 CG2 THR A 96 -9.969 -3.111 -10.666 1.00 31.11 C ATOM 0 H THR A 96 -8.805 -1.247 -7.077 1.00 15.12 H new ATOM 0 HA THR A 96 -11.277 -2.176 -8.438 1.00 14.13 H new ATOM 0 HB THR A 96 -8.428 -2.224 -9.474 1.00 64.01 H new ATOM 0 HG1 THR A 96 -9.312 -0.633 -10.996 1.00 15.54 H new ATOM 0 HG21 THR A 96 -9.446 -2.949 -11.609 1.00 31.11 H new ATOM 0 HG22 THR A 96 -9.753 -4.115 -10.299 1.00 31.11 H new ATOM 0 HG23 THR A 96 -11.042 -3.006 -10.824 1.00 31.11 H new ATOM 1567 N THR A 97 -10.888 -4.357 -7.224 1.00 30.13 N ATOM 1568 CA THR A 97 -10.723 -5.654 -6.562 1.00 5.24 C ATOM 1569 C THR A 97 -11.054 -6.781 -7.548 1.00 12.43 C ATOM 1570 O THR A 97 -12.034 -6.682 -8.312 1.00 60.32 O ATOM 1571 CB THR A 97 -11.604 -5.762 -5.265 1.00 44.53 C ATOM 1572 OG1 THR A 97 -11.370 -7.014 -4.596 1.00 22.13 O ATOM 1573 CG2 THR A 97 -13.106 -5.608 -5.549 1.00 33.23 C ATOM 0 H THR A 97 -11.862 -4.084 -7.356 1.00 30.13 H new ATOM 0 HA THR A 97 -9.684 -5.749 -6.247 1.00 5.24 H new ATOM 0 HB THR A 97 -11.304 -4.935 -4.622 1.00 44.53 H new ATOM 0 HG1 THR A 97 -11.925 -7.063 -3.790 1.00 22.13 H new ATOM 0 HG21 THR A 97 -13.663 -5.692 -4.616 1.00 33.23 H new ATOM 0 HG22 THR A 97 -13.293 -4.632 -5.997 1.00 33.23 H new ATOM 0 HG23 THR A 97 -13.429 -6.391 -6.236 1.00 33.23 H new ATOM 1581 N ASP A 98 -10.194 -7.822 -7.553 1.00 53.42 N ATOM 1582 CA ASP A 98 -10.370 -9.043 -8.372 1.00 73.12 C ATOM 1583 C ASP A 98 -10.284 -8.688 -9.891 1.00 70.13 C ATOM 1584 O ASP A 98 -9.737 -7.626 -10.243 1.00 73.52 O ATOM 1585 CB ASP A 98 -11.710 -9.761 -7.979 1.00 31.30 C ATOM 1586 CG ASP A 98 -11.748 -11.255 -8.347 1.00 22.12 C ATOM 1587 OD1 ASP A 98 -11.044 -12.034 -7.689 1.00 1.20 O ATOM 1588 OD2 ASP A 98 -12.461 -11.650 -9.294 1.00 42.42 O ATOM 0 H ASP A 98 -9.349 -7.839 -6.983 1.00 53.42 H new ATOM 0 HA ASP A 98 -9.564 -9.749 -8.172 1.00 73.12 H new ATOM 0 HB2 ASP A 98 -11.865 -9.657 -6.905 1.00 31.30 H new ATOM 0 HB3 ASP A 98 -12.540 -9.254 -8.471 1.00 31.30 H new ATOM 1593 N GLY A 99 -10.805 -9.565 -10.785 1.00 33.23 N ATOM 1594 CA GLY A 99 -10.703 -9.373 -12.235 1.00 41.10 C ATOM 1595 C GLY A 99 -9.318 -9.751 -12.728 1.00 13.32 C ATOM 1596 O GLY A 99 -9.088 -10.876 -13.184 1.00 64.20 O ATOM 0 H GLY A 99 -11.301 -10.414 -10.515 1.00 33.23 H new ATOM 0 HA2 GLY A 99 -11.453 -9.980 -12.741 1.00 41.10 H new ATOM 0 HA3 GLY A 99 -10.913 -8.333 -12.485 1.00 41.10 H new ATOM 1600 N ASP A 100 -8.382 -8.812 -12.560 1.00 12.52 N ATOM 1601 CA ASP A 100 -6.957 -9.007 -12.851 1.00 31.13 C ATOM 1602 C ASP A 100 -6.141 -8.069 -11.955 1.00 23.44 C ATOM 1603 O ASP A 100 -6.235 -6.842 -12.107 1.00 53.03 O ATOM 1604 CB ASP A 100 -6.651 -8.739 -14.350 1.00 0.15 C ATOM 1605 CG ASP A 100 -5.144 -8.770 -14.691 1.00 45.34 C ATOM 1606 OD1 ASP A 100 -4.557 -9.869 -14.742 1.00 70.45 O ATOM 1607 OD2 ASP A 100 -4.538 -7.694 -14.881 1.00 21.14 O ATOM 0 H ASP A 100 -8.597 -7.878 -12.212 1.00 12.52 H new ATOM 0 HA ASP A 100 -6.684 -10.042 -12.646 1.00 31.13 H new ATOM 0 HB2 ASP A 100 -7.167 -9.484 -14.956 1.00 0.15 H new ATOM 0 HB3 ASP A 100 -7.057 -7.766 -14.626 1.00 0.15 H new ATOM 1612 N THR A 101 -5.370 -8.667 -11.011 1.00 21.31 N ATOM 1613 CA THR A 101 -4.520 -7.942 -10.037 1.00 15.32 C ATOM 1614 C THR A 101 -5.378 -7.150 -9.010 1.00 60.33 C ATOM 1615 O THR A 101 -6.483 -6.682 -9.317 1.00 72.50 O ATOM 1616 CB THR A 101 -3.493 -7.006 -10.769 1.00 33.14 C ATOM 1617 OG1 THR A 101 -2.756 -7.794 -11.713 1.00 21.50 O ATOM 1618 CG2 THR A 101 -2.513 -6.301 -9.809 1.00 24.52 C ATOM 0 H THR A 101 -5.322 -9.680 -10.905 1.00 21.31 H new ATOM 0 HA THR A 101 -3.951 -8.685 -9.479 1.00 15.32 H new ATOM 0 HB THR A 101 -4.061 -6.217 -11.262 1.00 33.14 H new ATOM 0 HG1 THR A 101 -2.110 -7.224 -12.181 1.00 21.50 H new ATOM 0 HG21 THR A 101 -1.833 -5.671 -10.382 1.00 24.52 H new ATOM 0 HG22 THR A 101 -3.073 -5.685 -9.106 1.00 24.52 H new ATOM 0 HG23 THR A 101 -1.940 -7.049 -9.260 1.00 24.52 H new ATOM 1626 N PHE A 102 -4.882 -7.034 -7.767 1.00 42.43 N ATOM 1627 CA PHE A 102 -5.530 -6.223 -6.734 1.00 34.23 C ATOM 1628 C PHE A 102 -4.838 -4.847 -6.679 1.00 34.43 C ATOM 1629 O PHE A 102 -3.672 -4.758 -6.276 1.00 4.21 O ATOM 1630 CB PHE A 102 -5.480 -6.934 -5.351 1.00 50.30 C ATOM 1631 CG PHE A 102 -6.272 -6.182 -4.294 1.00 32.34 C ATOM 1632 CD1 PHE A 102 -7.667 -6.148 -4.356 1.00 22.25 C ATOM 1633 CD2 PHE A 102 -5.639 -5.472 -3.276 1.00 44.41 C ATOM 1634 CE1 PHE A 102 -8.398 -5.444 -3.427 1.00 41.13 C ATOM 1635 CE2 PHE A 102 -6.374 -4.769 -2.357 1.00 11.41 C ATOM 1636 CZ PHE A 102 -7.752 -4.748 -2.434 1.00 31.32 C ATOM 0 H PHE A 102 -4.028 -7.497 -7.456 1.00 42.43 H new ATOM 0 HA PHE A 102 -6.582 -6.089 -6.984 1.00 34.23 H new ATOM 0 HB2 PHE A 102 -5.875 -7.945 -5.449 1.00 50.30 H new ATOM 0 HB3 PHE A 102 -4.443 -7.027 -5.029 1.00 50.30 H new ATOM 0 HD1 PHE A 102 -8.179 -6.681 -5.144 1.00 22.25 H new ATOM 0 HD2 PHE A 102 -4.561 -5.476 -3.210 1.00 44.41 H new ATOM 0 HE1 PHE A 102 -9.477 -5.438 -3.478 1.00 41.13 H new ATOM 0 HE2 PHE A 102 -5.872 -4.228 -1.568 1.00 11.41 H new ATOM 0 HZ PHE A 102 -8.324 -4.183 -1.712 1.00 31.32 H new ATOM 1646 N GLU A 103 -5.552 -3.782 -7.099 1.00 11.44 N ATOM 1647 CA GLU A 103 -5.008 -2.413 -7.135 1.00 71.21 C ATOM 1648 C GLU A 103 -5.851 -1.457 -6.285 1.00 43.33 C ATOM 1649 O GLU A 103 -7.027 -1.258 -6.567 1.00 70.41 O ATOM 1650 CB GLU A 103 -4.922 -1.885 -8.589 1.00 44.33 C ATOM 1651 CG GLU A 103 -3.964 -2.671 -9.504 1.00 41.45 C ATOM 1652 CD GLU A 103 -3.703 -1.957 -10.843 1.00 14.23 C ATOM 1653 OE1 GLU A 103 -3.180 -0.819 -10.816 1.00 15.10 O ATOM 1654 OE2 GLU A 103 -4.013 -2.510 -11.920 1.00 1.35 O ATOM 0 H GLU A 103 -6.518 -3.849 -7.421 1.00 11.44 H new ATOM 0 HA GLU A 103 -4.002 -2.455 -6.717 1.00 71.21 H new ATOM 0 HB2 GLU A 103 -5.920 -1.905 -9.028 1.00 44.33 H new ATOM 0 HB3 GLU A 103 -4.605 -0.842 -8.564 1.00 44.33 H new ATOM 0 HG2 GLU A 103 -3.017 -2.823 -8.987 1.00 41.45 H new ATOM 0 HG3 GLU A 103 -4.382 -3.658 -9.699 1.00 41.45 H new ATOM 1661 N VAL A 104 -5.244 -0.896 -5.226 1.00 75.10 N ATOM 1662 CA VAL A 104 -5.808 0.246 -4.474 1.00 24.11 C ATOM 1663 C VAL A 104 -4.971 1.505 -4.791 1.00 62.54 C ATOM 1664 O VAL A 104 -3.870 1.669 -4.267 1.00 74.53 O ATOM 1665 CB VAL A 104 -5.780 -0.031 -2.917 1.00 33.53 C ATOM 1666 CG1 VAL A 104 -6.288 1.184 -2.096 1.00 71.45 C ATOM 1667 CG2 VAL A 104 -6.586 -1.298 -2.568 1.00 4.34 C ATOM 0 H VAL A 104 -4.347 -1.219 -4.864 1.00 75.10 H new ATOM 0 HA VAL A 104 -6.846 0.392 -4.773 1.00 24.11 H new ATOM 0 HB VAL A 104 -4.738 -0.195 -2.642 1.00 33.53 H new ATOM 0 HG11 VAL A 104 -6.250 0.946 -1.033 1.00 71.45 H new ATOM 0 HG12 VAL A 104 -5.656 2.049 -2.297 1.00 71.45 H new ATOM 0 HG13 VAL A 104 -7.315 1.411 -2.381 1.00 71.45 H new ATOM 0 HG21 VAL A 104 -6.551 -1.466 -1.492 1.00 4.34 H new ATOM 0 HG22 VAL A 104 -7.622 -1.168 -2.882 1.00 4.34 H new ATOM 0 HG23 VAL A 104 -6.156 -2.156 -3.084 1.00 4.34 H new ATOM 1677 N GLU A 105 -5.510 2.417 -5.609 1.00 50.33 N ATOM 1678 CA GLU A 105 -4.795 3.640 -6.002 1.00 41.15 C ATOM 1679 C GLU A 105 -5.195 4.779 -5.060 1.00 42.41 C ATOM 1680 O GLU A 105 -6.339 5.233 -5.077 1.00 34.34 O ATOM 1681 CB GLU A 105 -5.131 4.010 -7.469 1.00 15.23 C ATOM 1682 CG GLU A 105 -4.782 2.918 -8.496 1.00 50.12 C ATOM 1683 CD GLU A 105 -5.166 3.320 -9.926 1.00 0.32 C ATOM 1684 OE1 GLU A 105 -6.346 3.181 -10.303 1.00 3.42 O ATOM 1685 OE2 GLU A 105 -4.300 3.810 -10.669 1.00 21.22 O ATOM 0 H GLU A 105 -6.442 2.332 -6.014 1.00 50.33 H new ATOM 0 HA GLU A 105 -3.720 3.472 -5.931 1.00 41.15 H new ATOM 0 HB2 GLU A 105 -6.196 4.232 -7.540 1.00 15.23 H new ATOM 0 HB3 GLU A 105 -4.597 4.923 -7.732 1.00 15.23 H new ATOM 0 HG2 GLU A 105 -3.713 2.711 -8.454 1.00 50.12 H new ATOM 0 HG3 GLU A 105 -5.296 1.994 -8.230 1.00 50.12 H new ATOM 1692 N VAL A 106 -4.234 5.246 -4.251 1.00 0.54 N ATOM 1693 CA VAL A 106 -4.488 6.270 -3.228 1.00 33.50 C ATOM 1694 C VAL A 106 -4.031 7.630 -3.770 1.00 24.14 C ATOM 1695 O VAL A 106 -2.832 7.883 -3.891 1.00 14.30 O ATOM 1696 CB VAL A 106 -3.732 5.936 -1.877 1.00 4.02 C ATOM 1697 CG1 VAL A 106 -4.344 6.705 -0.684 1.00 73.15 C ATOM 1698 CG2 VAL A 106 -3.706 4.415 -1.602 1.00 11.45 C ATOM 0 H VAL A 106 -3.266 4.928 -4.286 1.00 0.54 H new ATOM 0 HA VAL A 106 -5.555 6.294 -3.007 1.00 33.50 H new ATOM 0 HB VAL A 106 -2.700 6.268 -1.993 1.00 4.02 H new ATOM 0 HG11 VAL A 106 -3.802 6.453 0.228 1.00 73.15 H new ATOM 0 HG12 VAL A 106 -4.270 7.777 -0.866 1.00 73.15 H new ATOM 0 HG13 VAL A 106 -5.392 6.428 -0.571 1.00 73.15 H new ATOM 0 HG21 VAL A 106 -3.179 4.223 -0.667 1.00 11.45 H new ATOM 0 HG22 VAL A 106 -4.727 4.041 -1.526 1.00 11.45 H new ATOM 0 HG23 VAL A 106 -3.193 3.906 -2.418 1.00 11.45 H new ATOM 1708 N ILE A 107 -4.994 8.495 -4.108 1.00 50.40 N ATOM 1709 CA ILE A 107 -4.694 9.820 -4.672 1.00 71.34 C ATOM 1710 C ILE A 107 -4.651 10.846 -3.538 1.00 62.24 C ATOM 1711 O ILE A 107 -5.694 11.300 -3.047 1.00 3.10 O ATOM 1712 CB ILE A 107 -5.742 10.226 -5.775 1.00 22.34 C ATOM 1713 CG1 ILE A 107 -5.790 9.148 -6.908 1.00 60.22 C ATOM 1714 CG2 ILE A 107 -5.438 11.627 -6.367 1.00 14.45 C ATOM 1715 CD1 ILE A 107 -4.482 8.936 -7.659 1.00 73.05 C ATOM 0 H ILE A 107 -5.990 8.303 -4.001 1.00 50.40 H new ATOM 0 HA ILE A 107 -3.721 9.788 -5.163 1.00 71.34 H new ATOM 0 HB ILE A 107 -6.721 10.277 -5.298 1.00 22.34 H new ATOM 0 HG12 ILE A 107 -6.097 8.198 -6.471 1.00 60.22 H new ATOM 0 HG13 ILE A 107 -6.560 9.432 -7.625 1.00 60.22 H new ATOM 0 HG21 ILE A 107 -6.183 11.871 -7.124 1.00 14.45 H new ATOM 0 HG22 ILE A 107 -5.470 12.373 -5.572 1.00 14.45 H new ATOM 0 HG23 ILE A 107 -4.447 11.623 -6.821 1.00 14.45 H new ATOM 0 HD11 ILE A 107 -4.621 8.170 -8.422 1.00 73.05 H new ATOM 0 HD12 ILE A 107 -4.179 9.870 -8.133 1.00 73.05 H new ATOM 0 HD13 ILE A 107 -3.709 8.616 -6.960 1.00 73.05 H new ATOM 1727 N LEU A 108 -3.428 11.169 -3.099 1.00 53.42 N ATOM 1728 CA LEU A 108 -3.192 12.105 -2.002 1.00 10.42 C ATOM 1729 C LEU A 108 -2.890 13.489 -2.589 1.00 70.20 C ATOM 1730 O LEU A 108 -1.763 13.764 -2.999 1.00 53.44 O ATOM 1731 CB LEU A 108 -1.997 11.598 -1.149 1.00 42.25 C ATOM 1732 CG LEU A 108 -2.084 10.125 -0.634 1.00 34.13 C ATOM 1733 CD1 LEU A 108 -0.789 9.710 0.081 1.00 64.23 C ATOM 1734 CD2 LEU A 108 -3.301 9.923 0.283 1.00 23.44 C ATOM 0 H LEU A 108 -2.573 10.784 -3.500 1.00 53.42 H new ATOM 0 HA LEU A 108 -4.072 12.175 -1.363 1.00 10.42 H new ATOM 0 HB2 LEU A 108 -1.088 11.699 -1.741 1.00 42.25 H new ATOM 0 HB3 LEU A 108 -1.890 12.255 -0.286 1.00 42.25 H new ATOM 0 HG LEU A 108 -2.211 9.482 -1.505 1.00 34.13 H new ATOM 0 HD11 LEU A 108 -0.879 8.681 0.428 1.00 64.23 H new ATOM 0 HD12 LEU A 108 0.050 9.788 -0.611 1.00 64.23 H new ATOM 0 HD13 LEU A 108 -0.618 10.367 0.934 1.00 64.23 H new ATOM 0 HD21 LEU A 108 -3.332 8.888 0.624 1.00 23.44 H new ATOM 0 HD22 LEU A 108 -3.222 10.586 1.144 1.00 23.44 H new ATOM 0 HD23 LEU A 108 -4.213 10.151 -0.268 1.00 23.44 H new ATOM 1746 N GLU A 109 -3.890 14.370 -2.619 1.00 71.20 N ATOM 1747 CA GLU A 109 -3.717 15.724 -3.158 1.00 70.03 C ATOM 1748 C GLU A 109 -3.327 16.670 -2.027 1.00 35.14 C ATOM 1749 O GLU A 109 -4.186 17.271 -1.380 1.00 64.13 O ATOM 1750 CB GLU A 109 -4.999 16.184 -3.893 1.00 13.55 C ATOM 1751 CG GLU A 109 -5.406 15.267 -5.073 1.00 12.42 C ATOM 1752 CD GLU A 109 -6.707 15.702 -5.767 1.00 61.21 C ATOM 1753 OE1 GLU A 109 -7.801 15.378 -5.268 1.00 50.04 O ATOM 1754 OE2 GLU A 109 -6.645 16.391 -6.799 1.00 12.22 O ATOM 0 H GLU A 109 -4.830 14.172 -2.277 1.00 71.20 H new ATOM 0 HA GLU A 109 -2.914 15.730 -3.895 1.00 70.03 H new ATOM 0 HB2 GLU A 109 -5.821 16.227 -3.178 1.00 13.55 H new ATOM 0 HB3 GLU A 109 -4.849 17.197 -4.267 1.00 13.55 H new ATOM 0 HG2 GLU A 109 -4.600 15.252 -5.806 1.00 12.42 H new ATOM 0 HG3 GLU A 109 -5.522 14.247 -4.707 1.00 12.42 H new ATOM 1761 N LEU A 110 -2.015 16.724 -1.744 1.00 34.20 N ATOM 1762 CA LEU A 110 -1.465 17.644 -0.740 1.00 21.21 C ATOM 1763 C LEU A 110 -1.485 19.060 -1.298 1.00 15.02 C ATOM 1764 O LEU A 110 -2.108 19.950 -0.713 1.00 41.24 O ATOM 1765 CB LEU A 110 -0.031 17.219 -0.285 1.00 35.43 C ATOM 1766 CG LEU A 110 0.074 15.868 0.513 1.00 72.30 C ATOM 1767 CD1 LEU A 110 -1.083 15.737 1.508 1.00 20.45 C ATOM 1768 CD2 LEU A 110 0.164 14.634 -0.405 1.00 74.54 C ATOM 0 H LEU A 110 -1.315 16.138 -2.199 1.00 34.20 H new ATOM 0 HA LEU A 110 -2.088 17.606 0.153 1.00 21.21 H new ATOM 0 HB2 LEU A 110 0.601 17.144 -1.170 1.00 35.43 H new ATOM 0 HB3 LEU A 110 0.382 18.015 0.334 1.00 35.43 H new ATOM 0 HG LEU A 110 1.011 15.902 1.069 1.00 72.30 H new ATOM 0 HD11 LEU A 110 -0.992 14.796 2.050 1.00 20.45 H new ATOM 0 HD12 LEU A 110 -1.051 16.567 2.214 1.00 20.45 H new ATOM 0 HD13 LEU A 110 -2.030 15.755 0.969 1.00 20.45 H new ATOM 0 HD21 LEU A 110 0.234 13.732 0.203 1.00 74.54 H new ATOM 0 HD22 LEU A 110 -0.727 14.581 -1.031 1.00 74.54 H new ATOM 0 HD23 LEU A 110 1.048 14.715 -1.038 1.00 74.54 H new ATOM 1780 N GLU A 111 -0.771 19.241 -2.431 1.00 1.34 N ATOM 1781 CA GLU A 111 -0.742 20.486 -3.234 1.00 73.23 C ATOM 1782 C GLU A 111 -0.258 21.736 -2.451 1.00 54.34 C ATOM 1783 O GLU A 111 -0.286 22.852 -2.982 1.00 32.51 O ATOM 1784 CB GLU A 111 -2.133 20.741 -3.875 1.00 40.14 C ATOM 1785 CG GLU A 111 -2.666 19.586 -4.752 1.00 4.22 C ATOM 1786 CD GLU A 111 -1.726 19.232 -5.914 1.00 35.30 C ATOM 1787 OE1 GLU A 111 -1.677 20.000 -6.892 1.00 72.53 O ATOM 1788 OE2 GLU A 111 -1.028 18.190 -5.857 1.00 23.12 O ATOM 0 H GLU A 111 -0.183 18.506 -2.824 1.00 1.34 H new ATOM 0 HA GLU A 111 0.002 20.327 -4.015 1.00 73.23 H new ATOM 0 HB2 GLU A 111 -2.853 20.937 -3.080 1.00 40.14 H new ATOM 0 HB3 GLU A 111 -2.077 21.644 -4.483 1.00 40.14 H new ATOM 0 HG2 GLU A 111 -2.814 18.703 -4.130 1.00 4.22 H new ATOM 0 HG3 GLU A 111 -3.642 19.861 -5.152 1.00 4.22 H new ATOM 1795 N HIS A 112 0.218 21.530 -1.203 1.00 12.42 N ATOM 1796 CA HIS A 112 0.680 22.610 -0.309 1.00 73.14 C ATOM 1797 C HIS A 112 2.110 23.041 -0.699 1.00 71.53 C ATOM 1798 O HIS A 112 2.648 24.005 -0.157 1.00 3.32 O ATOM 1799 CB HIS A 112 0.612 22.136 1.180 1.00 41.25 C ATOM 1800 CG HIS A 112 0.345 23.238 2.185 1.00 42.43 C ATOM 1801 ND1 HIS A 112 -0.882 23.409 2.785 1.00 25.21 N ATOM 1802 CD2 HIS A 112 1.135 24.222 2.681 1.00 21.33 C ATOM 1803 CE1 HIS A 112 -0.836 24.440 3.603 1.00 31.13 C ATOM 1804 NE2 HIS A 112 0.377 24.953 3.554 1.00 25.41 N ATOM 0 H HIS A 112 0.292 20.602 -0.787 1.00 12.42 H new ATOM 0 HA HIS A 112 0.027 23.476 -0.416 1.00 73.14 H new ATOM 0 HB2 HIS A 112 -0.170 21.382 1.272 1.00 41.25 H new ATOM 0 HB3 HIS A 112 1.554 21.650 1.436 1.00 41.25 H new ATOM 0 HD2 HIS A 112 2.171 24.396 2.433 1.00 21.33 H new ATOM 0 HE1 HIS A 112 -1.652 24.803 4.210 1.00 31.13 H new ATOM 0 HE2 HIS A 112 0.699 25.764 4.082 1.00 25.41 H new ATOM 1813 N HIS A 113 2.708 22.281 -1.632 1.00 73.10 N ATOM 1814 CA HIS A 113 4.024 22.559 -2.212 1.00 54.42 C ATOM 1815 C HIS A 113 4.144 21.758 -3.526 1.00 61.53 C ATOM 1816 O HIS A 113 4.910 20.794 -3.640 1.00 52.05 O ATOM 1817 CB HIS A 113 5.183 22.242 -1.207 1.00 4.43 C ATOM 1818 CG HIS A 113 5.258 20.808 -0.723 1.00 54.02 C ATOM 1819 ND1 HIS A 113 6.232 19.925 -1.145 1.00 71.35 N ATOM 1820 CD2 HIS A 113 4.490 20.116 0.152 1.00 70.13 C ATOM 1821 CE1 HIS A 113 6.054 18.759 -0.558 1.00 73.03 C ATOM 1822 NE2 HIS A 113 5.005 18.847 0.238 1.00 34.42 N ATOM 0 H HIS A 113 2.276 21.438 -2.010 1.00 73.10 H new ATOM 0 HA HIS A 113 4.118 23.623 -2.430 1.00 54.42 H new ATOM 0 HB2 HIS A 113 6.131 22.496 -1.682 1.00 4.43 H new ATOM 0 HB3 HIS A 113 5.076 22.894 -0.340 1.00 4.43 H new ATOM 0 HD2 HIS A 113 3.630 20.494 0.685 1.00 70.13 H new ATOM 0 HE1 HIS A 113 6.664 17.880 -0.704 1.00 73.03 H new ATOM 0 HE2 HIS A 113 4.637 18.095 0.821 1.00 34.42 H new ATOM 1831 N HIS A 114 3.297 22.118 -4.501 1.00 53.23 N ATOM 1832 CA HIS A 114 3.269 21.454 -5.818 1.00 42.34 C ATOM 1833 C HIS A 114 4.377 22.051 -6.709 1.00 71.32 C ATOM 1834 O HIS A 114 4.113 22.977 -7.483 1.00 72.24 O ATOM 1835 CB HIS A 114 1.862 21.591 -6.480 1.00 24.13 C ATOM 1836 CG HIS A 114 1.689 20.833 -7.793 1.00 21.11 C ATOM 1837 ND1 HIS A 114 1.022 19.627 -7.895 1.00 72.23 N ATOM 1838 CD2 HIS A 114 2.091 21.130 -9.060 1.00 23.41 C ATOM 1839 CE1 HIS A 114 1.026 19.223 -9.151 1.00 71.42 C ATOM 1840 NE2 HIS A 114 1.671 20.117 -9.871 1.00 74.24 N ATOM 0 H HIS A 114 2.616 22.871 -4.403 1.00 53.23 H new ATOM 0 HA HIS A 114 3.458 20.388 -5.692 1.00 42.34 H new ATOM 0 HB2 HIS A 114 1.109 21.240 -5.774 1.00 24.13 H new ATOM 0 HB3 HIS A 114 1.663 22.648 -6.659 1.00 24.13 H new ATOM 0 HD1 HIS A 114 0.592 19.126 -7.118 1.00 72.23 H new ATOM 0 HD2 HIS A 114 2.642 22.007 -9.366 1.00 23.41 H new ATOM 0 HE1 HIS A 114 0.577 18.315 -9.525 1.00 71.42 H new ATOM 1849 N HIS A 115 5.626 21.557 -6.511 1.00 32.42 N ATOM 1850 CA HIS A 115 6.822 21.908 -7.328 1.00 52.40 C ATOM 1851 C HIS A 115 7.265 23.373 -7.053 1.00 61.12 C ATOM 1852 O HIS A 115 6.513 24.313 -7.330 1.00 14.44 O ATOM 1853 CB HIS A 115 6.547 21.664 -8.842 1.00 74.13 C ATOM 1854 CG HIS A 115 7.758 21.505 -9.715 1.00 53.23 C ATOM 1855 ND1 HIS A 115 7.846 22.029 -10.986 1.00 12.11 N ATOM 1856 CD2 HIS A 115 8.888 20.785 -9.530 1.00 35.24 C ATOM 1857 CE1 HIS A 115 8.974 21.634 -11.543 1.00 34.11 C ATOM 1858 NE2 HIS A 115 9.623 20.885 -10.678 1.00 13.41 N ATOM 0 H HIS A 115 5.836 20.892 -5.767 1.00 32.42 H new ATOM 0 HA HIS A 115 7.645 21.256 -7.035 1.00 52.40 H new ATOM 0 HB2 HIS A 115 5.934 20.768 -8.939 1.00 74.13 H new ATOM 0 HB3 HIS A 115 5.957 22.498 -9.222 1.00 74.13 H new ATOM 0 HD2 HIS A 115 9.159 20.234 -8.641 1.00 35.24 H new ATOM 0 HE1 HIS A 115 9.308 21.883 -12.539 1.00 34.11 H new ATOM 0 HE2 HIS A 115 10.531 20.448 -10.839 1.00 13.41 H new ATOM 1867 N HIS A 116 8.492 23.544 -6.517 1.00 61.22 N ATOM 1868 CA HIS A 116 9.022 24.856 -6.051 1.00 22.44 C ATOM 1869 C HIS A 116 8.975 25.941 -7.154 1.00 34.33 C ATOM 1870 O HIS A 116 8.676 27.105 -6.878 1.00 50.23 O ATOM 1871 CB HIS A 116 10.466 24.681 -5.512 1.00 1.24 C ATOM 1872 CG HIS A 116 11.100 25.942 -4.950 1.00 5.34 C ATOM 1873 ND1 HIS A 116 12.300 26.457 -5.403 1.00 52.21 N ATOM 1874 CD2 HIS A 116 10.705 26.772 -3.944 1.00 61.45 C ATOM 1875 CE1 HIS A 116 12.609 27.535 -4.711 1.00 23.11 C ATOM 1876 NE2 HIS A 116 11.659 27.749 -3.822 1.00 61.11 N ATOM 0 H HIS A 116 9.151 22.776 -6.392 1.00 61.22 H new ATOM 0 HA HIS A 116 8.375 25.204 -5.246 1.00 22.44 H new ATOM 0 HB2 HIS A 116 10.457 23.919 -4.733 1.00 1.24 H new ATOM 0 HB3 HIS A 116 11.095 24.305 -6.318 1.00 1.24 H new ATOM 0 HD2 HIS A 116 9.807 26.678 -3.352 1.00 61.45 H new ATOM 0 HE1 HIS A 116 13.492 28.141 -4.849 1.00 23.11 H new ATOM 0 HE2 HIS A 116 11.637 28.517 -3.152 1.00 61.11 H new ATOM 1885 N HIS A 117 9.296 25.542 -8.392 1.00 13.35 N ATOM 1886 CA HIS A 117 9.112 26.377 -9.598 1.00 43.14 C ATOM 1887 C HIS A 117 8.357 25.538 -10.653 1.00 22.45 C ATOM 1888 O HIS A 117 9.008 24.837 -11.453 1.00 60.44 O ATOM 1889 CB HIS A 117 10.483 26.905 -10.139 1.00 15.32 C ATOM 1890 CG HIS A 117 10.923 28.218 -9.542 1.00 2.33 C ATOM 1891 ND1 HIS A 117 10.794 29.422 -10.208 1.00 41.14 N ATOM 1892 CD2 HIS A 117 11.482 28.512 -8.347 1.00 10.34 C ATOM 1893 CE1 HIS A 117 11.256 30.395 -9.446 1.00 22.15 C ATOM 1894 NE2 HIS A 117 11.676 29.867 -8.313 1.00 44.30 N ATOM 1895 OXT HIS A 117 7.114 25.546 -10.646 1.00 37.79 O ATOM 0 H HIS A 117 9.694 24.624 -8.592 1.00 13.35 H new ATOM 0 HA HIS A 117 8.525 27.262 -9.354 1.00 43.14 H new ATOM 0 HB2 HIS A 117 11.250 26.156 -9.944 1.00 15.32 H new ATOM 0 HB3 HIS A 117 10.414 27.016 -11.221 1.00 15.32 H new ATOM 0 HD2 HIS A 117 11.729 27.809 -7.565 1.00 10.34 H new ATOM 0 HE1 HIS A 117 11.285 31.443 -9.705 1.00 22.15 H new ATOM 0 HE2 HIS A 117 12.081 30.386 -7.534 1.00 44.30 H new TER 1904 HIS A 117