USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 576 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.0101 (180deg=-0.106) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot -3:sc= 0.123 USER MOD Single : A 19 HIS : no HE2:sc= 0.9 K(o=0.9,f=-6.4!) USER MOD Single : A 21 CYS SG : rot -25:sc= 0 USER MOD Single : A 24 MET CE :methyl -108:sc= -0.31 (180deg=-2.88!) USER MOD Single : A 27 SER OG : rot 76:sc= 1.2 USER MOD Single : A 32 GLN : amide:sc= -3.92! C(o=-3.9!,f=-2.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -159:sc= -0.0763 (180deg=-0.507) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.425 X(o=-0.42,f=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 HIS : no HD1:sc=-0.00212 X(o=-0.0021,f=0) USER MOD Single : A 51 THR OG1 : rot 67:sc= 1.22 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.323 K(o=0.32,f=-6.9!) USER MOD Single : A 65 ASN : amide:sc= -1.39! K(o=-1.4!,f=-0.031) USER MOD Single : A 68 LYS NZ :NH3+ 168:sc= 0.651 (180deg=0.416) USER MOD Single : A 71 CYS SG : rot 180:sc= -0.23 USER MOD Single : A 72 HIS : no HD1:sc= -0.0147 K(o=-0.015,f=-0.81) USER MOD Single : A 73 TYR OH : rot 180:sc= -0.759 USER MOD Single : A 77 SER OG : rot 67:sc= 0.344 USER MOD Single : A 83 TYR OH : rot 180:sc= -1.26 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.476 28.356 3.623 1.00 4.22 N ATOM 2 CA MET A 1 6.023 28.110 4.977 1.00 63.51 C ATOM 3 C MET A 1 4.915 27.739 5.964 1.00 0.21 C ATOM 4 O MET A 1 5.127 26.924 6.861 1.00 11.22 O ATOM 5 CB MET A 1 6.768 29.344 5.487 1.00 64.54 C ATOM 6 CG MET A 1 7.344 29.164 6.884 1.00 14.33 C ATOM 7 SD MET A 1 8.140 30.652 7.514 1.00 14.01 S ATOM 8 CE MET A 1 8.602 30.114 9.161 1.00 61.42 C ATOM 0 H1 MET A 1 6.257 28.421 2.940 1.00 4.22 H new ATOM 0 H2 MET A 1 4.846 27.573 3.355 1.00 4.22 H new ATOM 0 H3 MET A 1 4.940 29.247 3.622 1.00 4.22 H new ATOM 0 HA MET A 1 6.718 27.273 4.903 1.00 63.51 H new ATOM 0 HB2 MET A 1 7.576 29.583 4.796 1.00 64.54 H new ATOM 0 HB3 MET A 1 6.088 30.196 5.489 1.00 64.54 H new ATOM 0 HG2 MET A 1 6.546 28.870 7.565 1.00 14.33 H new ATOM 0 HG3 MET A 1 8.068 28.349 6.870 1.00 14.33 H new ATOM 0 HE1 MET A 1 9.108 30.928 9.681 1.00 61.42 H new ATOM 0 HE2 MET A 1 7.708 29.829 9.715 1.00 61.42 H new ATOM 0 HE3 MET A 1 9.272 29.257 9.089 1.00 61.42 H new ATOM 15 N ASN A 2 3.738 28.340 5.797 1.00 52.44 N ATOM 16 CA ASN A 2 2.618 28.111 6.712 1.00 54.20 C ATOM 17 C ASN A 2 2.279 26.629 6.795 1.00 41.52 C ATOM 18 O ASN A 2 2.206 26.059 7.884 1.00 60.13 O ATOM 19 CB ASN A 2 1.377 28.890 6.266 1.00 41.10 C ATOM 20 CG ASN A 2 0.244 28.786 7.272 1.00 24.32 C ATOM 21 OD1 ASN A 2 0.474 28.759 8.482 1.00 65.44 O ATOM 22 ND2 ASN A 2 -0.980 28.706 6.783 1.00 25.23 N ATOM 0 H ASN A 2 3.534 28.989 5.037 1.00 52.44 H new ATOM 0 HA ASN A 2 2.924 28.463 7.697 1.00 54.20 H new ATOM 0 HB2 ASN A 2 1.640 29.938 6.124 1.00 41.10 H new ATOM 0 HB3 ASN A 2 1.040 28.512 5.301 1.00 41.10 H new ATOM 0 HD21 ASN A 2 -1.777 28.618 7.414 1.00 25.23 H new ATOM 0 HD22 ASN A 2 -1.129 28.732 5.774 1.00 25.23 H new ATOM 28 N ASN A 3 2.088 26.006 5.640 1.00 63.12 N ATOM 29 CA ASN A 3 1.740 24.596 5.589 1.00 41.05 C ATOM 30 C ASN A 3 2.889 23.778 5.027 1.00 64.25 C ATOM 31 O ASN A 3 3.092 23.726 3.814 1.00 24.54 O ATOM 32 CB ASN A 3 0.482 24.370 4.747 1.00 13.43 C ATOM 33 CG ASN A 3 -0.740 25.046 5.336 1.00 20.21 C ATOM 34 OD1 ASN A 3 -1.050 26.190 5.007 1.00 32.50 O ATOM 35 ND2 ASN A 3 -1.437 24.349 6.223 1.00 11.31 N ATOM 0 H ASN A 3 2.168 26.456 4.728 1.00 63.12 H new ATOM 0 HA ASN A 3 1.539 24.269 6.609 1.00 41.05 H new ATOM 0 HB2 ASN A 3 0.651 24.747 3.738 1.00 13.43 H new ATOM 0 HB3 ASN A 3 0.295 23.300 4.660 1.00 13.43 H new ATOM 0 HD21 ASN A 3 -2.263 24.759 6.659 1.00 11.31 H new ATOM 0 HD22 ASN A 3 -1.147 23.403 6.469 1.00 11.31 H new ATOM 41 N GLN A 4 3.648 23.156 5.913 1.00 34.31 N ATOM 42 CA GLN A 4 4.734 22.288 5.496 1.00 11.23 C ATOM 43 C GLN A 4 4.165 20.928 5.119 1.00 72.53 C ATOM 44 O GLN A 4 4.097 20.013 5.943 1.00 25.02 O ATOM 45 CB GLN A 4 5.784 22.144 6.599 1.00 43.14 C ATOM 46 CG GLN A 4 6.999 21.335 6.178 1.00 73.33 C ATOM 47 CD GLN A 4 8.039 21.228 7.275 1.00 64.43 C ATOM 48 OE1 GLN A 4 8.927 22.073 7.392 1.00 20.25 O ATOM 49 NE2 GLN A 4 7.940 20.182 8.083 1.00 42.22 N ATOM 0 H GLN A 4 3.532 23.236 6.923 1.00 34.31 H new ATOM 0 HA GLN A 4 5.229 22.731 4.632 1.00 11.23 H new ATOM 0 HB2 GLN A 4 6.109 23.136 6.912 1.00 43.14 H new ATOM 0 HB3 GLN A 4 5.325 21.670 7.467 1.00 43.14 H new ATOM 0 HG2 GLN A 4 6.681 20.334 5.886 1.00 73.33 H new ATOM 0 HG3 GLN A 4 7.450 21.795 5.299 1.00 73.33 H new ATOM 0 HE21 GLN A 4 7.189 19.505 7.951 1.00 42.22 H new ATOM 0 HE22 GLN A 4 8.615 20.054 8.837 1.00 42.22 H new ATOM 56 N VAL A 5 3.705 20.825 3.887 1.00 53.01 N ATOM 57 CA VAL A 5 3.074 19.615 3.406 1.00 31.24 C ATOM 58 C VAL A 5 4.102 18.622 2.902 1.00 13.33 C ATOM 59 O VAL A 5 5.022 18.967 2.153 1.00 53.13 O ATOM 60 CB VAL A 5 2.062 19.914 2.290 1.00 15.44 C ATOM 61 CG1 VAL A 5 0.945 20.786 2.828 1.00 1.31 C ATOM 62 CG2 VAL A 5 2.748 20.593 1.116 1.00 40.24 C ATOM 0 H VAL A 5 3.758 21.574 3.196 1.00 53.01 H new ATOM 0 HA VAL A 5 2.544 19.178 4.252 1.00 31.24 H new ATOM 0 HB VAL A 5 1.638 18.973 1.939 1.00 15.44 H new ATOM 0 HG11 VAL A 5 0.231 20.995 2.032 1.00 1.31 H new ATOM 0 HG12 VAL A 5 0.439 20.268 3.643 1.00 1.31 H new ATOM 0 HG13 VAL A 5 1.361 21.724 3.197 1.00 1.31 H new ATOM 0 HG21 VAL A 5 2.016 20.797 0.335 1.00 40.24 H new ATOM 0 HG22 VAL A 5 3.195 21.530 1.448 1.00 40.24 H new ATOM 0 HG23 VAL A 5 3.526 19.939 0.722 1.00 40.24 H new ATOM 72 N GLU A 6 3.945 17.391 3.332 1.00 54.30 N ATOM 73 CA GLU A 6 4.854 16.331 2.958 1.00 3.22 C ATOM 74 C GLU A 6 4.056 15.104 2.527 1.00 43.42 C ATOM 75 O GLU A 6 2.883 14.969 2.885 1.00 3.24 O ATOM 76 CB GLU A 6 5.785 16.027 4.132 1.00 73.41 C ATOM 77 CG GLU A 6 6.561 17.254 4.586 1.00 10.02 C ATOM 78 CD GLU A 6 7.513 16.971 5.732 1.00 61.23 C ATOM 79 OE1 GLU A 6 7.075 17.020 6.903 1.00 15.35 O ATOM 80 OE2 GLU A 6 8.707 16.710 5.470 1.00 3.00 O ATOM 0 H GLU A 6 3.187 17.097 3.948 1.00 54.30 H new ATOM 0 HA GLU A 6 5.471 16.637 2.113 1.00 3.22 H new ATOM 0 HB2 GLU A 6 5.200 15.641 4.966 1.00 73.41 H new ATOM 0 HB3 GLU A 6 6.485 15.243 3.844 1.00 73.41 H new ATOM 0 HG2 GLU A 6 7.126 17.650 3.743 1.00 10.02 H new ATOM 0 HG3 GLU A 6 5.857 18.029 4.890 1.00 10.02 H new ATOM 85 N PRO A 7 4.665 14.204 1.740 1.00 60.35 N ATOM 86 CA PRO A 7 3.953 13.071 1.141 1.00 10.11 C ATOM 87 C PRO A 7 3.511 12.034 2.168 1.00 21.13 C ATOM 88 O PRO A 7 4.291 11.613 3.024 1.00 15.41 O ATOM 89 CB PRO A 7 4.994 12.467 0.197 1.00 31.34 C ATOM 90 CG PRO A 7 6.292 12.817 0.827 1.00 21.40 C ATOM 91 CD PRO A 7 6.095 14.200 1.379 1.00 21.55 C ATOM 0 HA PRO A 7 3.032 13.389 0.652 1.00 10.11 H new ATOM 0 HB2 PRO A 7 4.872 11.388 0.106 1.00 31.34 H new ATOM 0 HB3 PRO A 7 4.912 12.883 -0.807 1.00 31.34 H new ATOM 0 HG2 PRO A 7 6.551 12.110 1.615 1.00 21.40 H new ATOM 0 HG3 PRO A 7 7.103 12.794 0.099 1.00 21.40 H new ATOM 0 HD2 PRO A 7 6.732 14.385 2.244 1.00 21.55 H new ATOM 0 HD3 PRO A 7 6.329 14.968 0.641 1.00 21.55 H new ATOM 96 N ARG A 8 2.257 11.628 2.078 1.00 34.23 N ATOM 97 CA ARG A 8 1.751 10.560 2.917 1.00 53.21 C ATOM 98 C ARG A 8 2.005 9.229 2.216 1.00 33.34 C ATOM 99 O ARG A 8 1.691 9.075 1.041 1.00 75.23 O ATOM 100 CB ARG A 8 0.267 10.776 3.220 1.00 30.24 C ATOM 101 CG ARG A 8 -0.633 10.753 2.000 1.00 23.13 C ATOM 102 CD ARG A 8 -1.976 11.389 2.302 1.00 34.34 C ATOM 103 NE ARG A 8 -1.957 12.839 2.090 1.00 73.52 N ATOM 104 CZ ARG A 8 -3.055 13.597 1.991 1.00 61.12 C ATOM 105 NH1 ARG A 8 -4.254 13.069 2.187 1.00 31.23 N ATOM 106 NH2 ARG A 8 -2.953 14.889 1.712 1.00 44.22 N ATOM 0 H ARG A 8 1.572 12.022 1.433 1.00 34.23 H new ATOM 0 HA ARG A 8 2.269 10.554 3.876 1.00 53.21 H new ATOM 0 HB2 ARG A 8 -0.065 10.005 3.915 1.00 30.24 H new ATOM 0 HB3 ARG A 8 0.148 11.734 3.726 1.00 30.24 H new ATOM 0 HG2 ARG A 8 -0.152 11.284 1.179 1.00 23.13 H new ATOM 0 HG3 ARG A 8 -0.780 9.724 1.672 1.00 23.13 H new ATOM 0 HD2 ARG A 8 -2.741 10.940 1.668 1.00 34.34 H new ATOM 0 HD3 ARG A 8 -2.253 11.177 3.335 1.00 34.34 H new ATOM 0 HE ARG A 8 -1.050 13.299 2.013 1.00 73.52 H new ATOM 0 HH11 ARG A 8 -4.344 12.079 2.415 1.00 31.23 H new ATOM 0 HH12 ARG A 8 -5.087 13.653 2.110 1.00 31.23 H new ATOM 0 HH21 ARG A 8 -2.034 15.309 1.572 1.00 44.22 H new ATOM 0 HH22 ARG A 8 -3.793 15.463 1.638 1.00 44.22 H new ATOM 117 N LYS A 9 2.580 8.281 2.933 1.00 41.14 N ATOM 118 CA LYS A 9 3.142 7.090 2.309 1.00 10.13 C ATOM 119 C LYS A 9 2.164 5.913 2.328 1.00 4.10 C ATOM 120 O LYS A 9 1.252 5.860 3.154 1.00 24.00 O ATOM 121 CB LYS A 9 4.444 6.725 3.030 1.00 71.34 C ATOM 122 CG LYS A 9 5.191 5.545 2.436 1.00 63.30 C ATOM 123 CD LYS A 9 6.450 5.245 3.222 1.00 61.44 C ATOM 124 CE LYS A 9 7.311 4.209 2.523 1.00 41.41 C ATOM 125 NZ LYS A 9 8.540 3.904 3.296 1.00 42.25 N ATOM 0 H LYS A 9 2.672 8.310 3.948 1.00 41.14 H new ATOM 0 HA LYS A 9 3.343 7.309 1.260 1.00 10.13 H new ATOM 0 HB2 LYS A 9 5.102 7.594 3.024 1.00 71.34 H new ATOM 0 HB3 LYS A 9 4.216 6.505 4.073 1.00 71.34 H new ATOM 0 HG2 LYS A 9 4.545 4.667 2.430 1.00 63.30 H new ATOM 0 HG3 LYS A 9 5.448 5.759 1.399 1.00 63.30 H new ATOM 0 HD2 LYS A 9 7.022 6.163 3.358 1.00 61.44 H new ATOM 0 HD3 LYS A 9 6.182 4.886 4.216 1.00 61.44 H new ATOM 0 HE2 LYS A 9 6.735 3.295 2.379 1.00 41.41 H new ATOM 0 HE3 LYS A 9 7.585 4.572 1.532 1.00 41.41 H new ATOM 0 HZ1 LYS A 9 9.103 3.193 2.787 1.00 42.25 H new ATOM 0 HZ2 LYS A 9 9.102 4.772 3.412 1.00 42.25 H new ATOM 0 HZ3 LYS A 9 8.278 3.534 4.232 1.00 42.25 H new ATOM 135 N LEU A 10 2.353 4.986 1.395 1.00 53.04 N ATOM 136 CA LEU A 10 1.597 3.743 1.363 1.00 0.15 C ATOM 137 C LEU A 10 2.545 2.551 1.331 1.00 2.34 C ATOM 138 O LEU A 10 3.648 2.633 0.782 1.00 50.31 O ATOM 139 CB LEU A 10 0.694 3.688 0.132 1.00 31.43 C ATOM 140 CG LEU A 10 -0.398 4.749 0.066 1.00 71.24 C ATOM 141 CD1 LEU A 10 -1.204 4.578 -1.206 1.00 12.03 C ATOM 142 CD2 LEU A 10 -1.304 4.671 1.286 1.00 71.40 C ATOM 0 H LEU A 10 3.034 5.077 0.641 1.00 53.04 H new ATOM 0 HA LEU A 10 0.982 3.703 2.262 1.00 0.15 H new ATOM 0 HB2 LEU A 10 1.317 3.779 -0.758 1.00 31.43 H new ATOM 0 HB3 LEU A 10 0.223 2.706 0.093 1.00 31.43 H new ATOM 0 HG LEU A 10 0.072 5.733 0.059 1.00 71.24 H new ATOM 0 HD11 LEU A 10 -1.983 5.339 -1.248 1.00 12.03 H new ATOM 0 HD12 LEU A 10 -0.547 4.683 -2.070 1.00 12.03 H new ATOM 0 HD13 LEU A 10 -1.662 3.589 -1.216 1.00 12.03 H new ATOM 0 HD21 LEU A 10 -2.075 5.438 1.216 1.00 71.40 H new ATOM 0 HD22 LEU A 10 -1.773 3.688 1.329 1.00 71.40 H new ATOM 0 HD23 LEU A 10 -0.714 4.831 2.188 1.00 71.40 H new ATOM 153 N VAL A 11 2.120 1.451 1.925 1.00 34.53 N ATOM 154 CA VAL A 11 2.882 0.213 1.876 1.00 54.10 C ATOM 155 C VAL A 11 2.001 -0.918 1.380 1.00 24.42 C ATOM 156 O VAL A 11 0.856 -1.054 1.805 1.00 70.43 O ATOM 157 CB VAL A 11 3.468 -0.175 3.250 1.00 71.30 C ATOM 158 CG1 VAL A 11 4.057 -1.580 3.207 1.00 50.41 C ATOM 159 CG2 VAL A 11 4.527 0.825 3.685 1.00 3.04 C ATOM 0 H VAL A 11 1.248 1.388 2.450 1.00 34.53 H new ATOM 0 HA VAL A 11 3.713 0.380 1.191 1.00 54.10 H new ATOM 0 HB VAL A 11 2.657 -0.160 3.979 1.00 71.30 H new ATOM 0 HG11 VAL A 11 4.465 -1.834 4.186 1.00 50.41 H new ATOM 0 HG12 VAL A 11 3.277 -2.294 2.943 1.00 50.41 H new ATOM 0 HG13 VAL A 11 4.852 -1.619 2.462 1.00 50.41 H new ATOM 0 HG21 VAL A 11 4.927 0.532 4.656 1.00 3.04 H new ATOM 0 HG22 VAL A 11 5.333 0.844 2.951 1.00 3.04 H new ATOM 0 HG23 VAL A 11 4.082 1.817 3.760 1.00 3.04 H new ATOM 169 N VAL A 12 2.533 -1.723 0.477 1.00 50.34 N ATOM 170 CA VAL A 12 1.820 -2.885 -0.012 1.00 24.23 C ATOM 171 C VAL A 12 2.462 -4.159 0.524 1.00 10.12 C ATOM 172 O VAL A 12 3.642 -4.416 0.287 1.00 24.43 O ATOM 173 CB VAL A 12 1.797 -2.942 -1.552 1.00 1.31 C ATOM 174 CG1 VAL A 12 1.100 -4.205 -2.032 1.00 14.32 C ATOM 175 CG2 VAL A 12 1.134 -1.707 -2.135 1.00 41.05 C ATOM 0 H VAL A 12 3.458 -1.591 0.068 1.00 50.34 H new ATOM 0 HA VAL A 12 0.792 -2.804 0.342 1.00 24.23 H new ATOM 0 HB VAL A 12 2.829 -2.965 -1.903 1.00 1.31 H new ATOM 0 HG11 VAL A 12 1.095 -4.226 -3.122 1.00 14.32 H new ATOM 0 HG12 VAL A 12 1.631 -5.079 -1.655 1.00 14.32 H new ATOM 0 HG13 VAL A 12 0.074 -4.217 -1.664 1.00 14.32 H new ATOM 0 HG21 VAL A 12 1.132 -1.774 -3.223 1.00 41.05 H new ATOM 0 HG22 VAL A 12 0.108 -1.640 -1.774 1.00 41.05 H new ATOM 0 HG23 VAL A 12 1.686 -0.819 -1.828 1.00 41.05 H new ATOM 185 N TYR A 13 1.690 -4.936 1.267 1.00 62.22 N ATOM 186 CA TYR A 13 2.155 -6.220 1.766 1.00 60.11 C ATOM 187 C TYR A 13 1.699 -7.331 0.835 1.00 43.54 C ATOM 188 O TYR A 13 0.499 -7.572 0.683 1.00 13.55 O ATOM 189 CB TYR A 13 1.629 -6.491 3.179 1.00 42.34 C ATOM 190 CG TYR A 13 2.164 -5.555 4.240 1.00 13.04 C ATOM 191 CD1 TYR A 13 3.430 -5.741 4.785 1.00 2.42 C ATOM 192 CD2 TYR A 13 1.399 -4.494 4.709 1.00 54.14 C ATOM 193 CE1 TYR A 13 3.919 -4.895 5.760 1.00 63.51 C ATOM 194 CE2 TYR A 13 1.882 -3.644 5.686 1.00 11.44 C ATOM 195 CZ TYR A 13 3.139 -3.851 6.208 1.00 14.22 C ATOM 196 OH TYR A 13 3.620 -3.008 7.184 1.00 31.41 O ATOM 0 H TYR A 13 0.736 -4.699 1.538 1.00 62.22 H new ATOM 0 HA TYR A 13 3.244 -6.192 1.804 1.00 60.11 H new ATOM 0 HB2 TYR A 13 0.541 -6.422 3.167 1.00 42.34 H new ATOM 0 HB3 TYR A 13 1.880 -7.515 3.456 1.00 42.34 H new ATOM 0 HD1 TYR A 13 4.041 -6.562 4.439 1.00 2.42 H new ATOM 0 HD2 TYR A 13 0.411 -4.331 4.304 1.00 54.14 H new ATOM 0 HE1 TYR A 13 4.906 -5.050 6.169 1.00 63.51 H new ATOM 0 HE2 TYR A 13 1.277 -2.822 6.038 1.00 11.44 H new ATOM 0 HH TYR A 13 2.948 -2.324 7.386 1.00 31.41 H new ATOM 205 N GLY A 14 2.648 -8.004 0.212 1.00 11.20 N ATOM 206 CA GLY A 14 2.307 -9.047 -0.730 1.00 44.12 C ATOM 207 C GLY A 14 3.210 -10.252 -0.596 1.00 3.13 C ATOM 208 O GLY A 14 3.993 -10.345 0.348 1.00 65.02 O ATOM 0 H GLY A 14 3.648 -7.849 0.340 1.00 11.20 H new ATOM 0 HA2 GLY A 14 1.272 -9.351 -0.574 1.00 44.12 H new ATOM 0 HA3 GLY A 14 2.375 -8.655 -1.745 1.00 44.12 H new ATOM 212 N ARG A 15 3.106 -11.176 -1.537 1.00 32.41 N ATOM 213 CA ARG A 15 3.940 -12.368 -1.538 1.00 30.31 C ATOM 214 C ARG A 15 4.079 -12.899 -2.956 1.00 15.43 C ATOM 215 O ARG A 15 3.571 -12.297 -3.903 1.00 54.45 O ATOM 216 CB ARG A 15 3.362 -13.452 -0.618 1.00 74.12 C ATOM 217 CG ARG A 15 1.934 -13.847 -0.946 1.00 35.22 C ATOM 218 CD ARG A 15 1.483 -15.054 -0.136 1.00 40.22 C ATOM 219 NE ARG A 15 2.192 -16.277 -0.517 1.00 21.01 N ATOM 220 CZ ARG A 15 1.952 -17.482 0.012 1.00 72.40 C ATOM 221 NH1 ARG A 15 1.059 -17.617 0.983 1.00 45.41 N ATOM 222 NH2 ARG A 15 2.623 -18.543 -0.421 1.00 25.13 N ATOM 0 H ARG A 15 2.448 -11.123 -2.315 1.00 32.41 H new ATOM 0 HA ARG A 15 4.925 -12.097 -1.157 1.00 30.31 H new ATOM 0 HB2 ARG A 15 3.995 -14.338 -0.676 1.00 74.12 H new ATOM 0 HB3 ARG A 15 3.402 -13.098 0.412 1.00 74.12 H new ATOM 0 HG2 ARG A 15 1.269 -13.006 -0.747 1.00 35.22 H new ATOM 0 HG3 ARG A 15 1.854 -14.072 -2.010 1.00 35.22 H new ATOM 0 HD2 ARG A 15 1.645 -14.858 0.924 1.00 40.22 H new ATOM 0 HD3 ARG A 15 0.412 -15.201 -0.273 1.00 40.22 H new ATOM 0 HE ARG A 15 2.916 -16.206 -1.232 1.00 21.01 H new ATOM 0 HH11 ARG A 15 0.553 -16.801 1.328 1.00 45.41 H new ATOM 0 HH12 ARG A 15 0.878 -18.537 1.385 1.00 45.41 H new ATOM 0 HH21 ARG A 15 3.322 -18.439 -1.157 1.00 25.13 H new ATOM 0 HH22 ARG A 15 2.440 -19.462 -0.018 1.00 25.13 H new ATOM 233 N GLU A 16 4.770 -14.015 -3.094 1.00 23.15 N ATOM 234 CA GLU A 16 5.000 -14.621 -4.395 1.00 31.43 C ATOM 235 C GLU A 16 3.765 -15.377 -4.866 1.00 31.43 C ATOM 236 O GLU A 16 2.936 -15.804 -4.056 1.00 51.01 O ATOM 237 CB GLU A 16 6.197 -15.565 -4.310 1.00 72.52 C ATOM 238 CG GLU A 16 7.476 -14.887 -3.841 1.00 11.23 C ATOM 239 CD GLU A 16 8.579 -15.879 -3.551 1.00 12.54 C ATOM 240 OE1 GLU A 16 9.172 -16.411 -4.512 1.00 2.04 O ATOM 241 OE2 GLU A 16 8.847 -16.144 -2.360 1.00 61.31 O ATOM 0 H GLU A 16 5.186 -14.525 -2.315 1.00 23.15 H new ATOM 0 HA GLU A 16 5.209 -13.833 -5.119 1.00 31.43 H new ATOM 0 HB2 GLU A 16 5.958 -16.381 -3.628 1.00 72.52 H new ATOM 0 HB3 GLU A 16 6.369 -16.009 -5.291 1.00 72.52 H new ATOM 0 HG2 GLU A 16 7.813 -14.185 -4.604 1.00 11.23 H new ATOM 0 HG3 GLU A 16 7.268 -14.306 -2.943 1.00 11.23 H new ATOM 246 N GLY A 17 3.647 -15.536 -6.177 1.00 31.01 N ATOM 247 CA GLY A 17 2.508 -16.225 -6.743 1.00 52.03 C ATOM 248 C GLY A 17 1.275 -15.347 -6.789 1.00 34.54 C ATOM 249 O GLY A 17 0.152 -15.828 -6.641 1.00 2.12 O ATOM 0 H GLY A 17 4.324 -15.198 -6.861 1.00 31.01 H new ATOM 0 HA2 GLY A 17 2.752 -16.560 -7.751 1.00 52.03 H new ATOM 0 HA3 GLY A 17 2.295 -17.117 -6.154 1.00 52.03 H new ATOM 253 N CYS A 18 1.481 -14.049 -6.965 1.00 33.24 N ATOM 254 CA CYS A 18 0.374 -13.107 -7.036 1.00 31.45 C ATOM 255 C CYS A 18 0.659 -12.008 -8.053 1.00 53.24 C ATOM 256 O CYS A 18 1.299 -11.005 -7.735 1.00 71.33 O ATOM 257 CB CYS A 18 0.105 -12.479 -5.661 1.00 1.44 C ATOM 258 SG CYS A 18 -0.347 -13.663 -4.372 1.00 41.23 S ATOM 0 H CYS A 18 2.404 -13.625 -7.061 1.00 33.24 H new ATOM 0 HA CYS A 18 -0.510 -13.660 -7.353 1.00 31.45 H new ATOM 0 HB2 CYS A 18 0.995 -11.937 -5.343 1.00 1.44 H new ATOM 0 HB3 CYS A 18 -0.696 -11.746 -5.761 1.00 1.44 H new ATOM 0 HG CYS A 18 -0.419 -14.856 -4.884 1.00 41.23 H new ATOM 263 N HIS A 19 0.192 -12.200 -9.281 1.00 62.24 N ATOM 264 CA HIS A 19 0.327 -11.181 -10.314 1.00 15.13 C ATOM 265 C HIS A 19 -0.593 -10.006 -10.011 1.00 72.42 C ATOM 266 O HIS A 19 -0.313 -8.867 -10.376 1.00 1.05 O ATOM 267 CB HIS A 19 0.030 -11.750 -11.704 1.00 11.41 C ATOM 268 CG HIS A 19 1.092 -12.682 -12.212 1.00 2.52 C ATOM 269 ND1 HIS A 19 2.411 -12.314 -12.343 1.00 22.14 N ATOM 270 CD2 HIS A 19 1.027 -13.976 -12.612 1.00 51.11 C ATOM 271 CE1 HIS A 19 3.111 -13.334 -12.805 1.00 54.02 C ATOM 272 NE2 HIS A 19 2.295 -14.353 -12.978 1.00 33.10 N ATOM 0 H HIS A 19 -0.283 -13.050 -9.585 1.00 62.24 H new ATOM 0 HA HIS A 19 1.360 -10.834 -10.314 1.00 15.13 H new ATOM 0 HB2 HIS A 19 -0.922 -12.279 -11.675 1.00 11.41 H new ATOM 0 HB3 HIS A 19 -0.085 -10.926 -12.408 1.00 11.41 H new ATOM 0 HD1 HIS A 19 2.790 -11.394 -12.118 1.00 22.14 H new ATOM 0 HD2 HIS A 19 0.142 -14.595 -12.638 1.00 51.11 H new ATOM 0 HE1 HIS A 19 4.172 -13.333 -13.007 1.00 54.02 H new ATOM 279 N LEU A 20 -1.692 -10.312 -9.331 1.00 44.34 N ATOM 280 CA LEU A 20 -2.675 -9.311 -8.915 1.00 25.24 C ATOM 281 C LEU A 20 -1.998 -8.212 -8.096 1.00 34.12 C ATOM 282 O LEU A 20 -2.357 -7.038 -8.184 1.00 21.12 O ATOM 283 CB LEU A 20 -3.777 -10.006 -8.091 1.00 33.14 C ATOM 284 CG LEU A 20 -5.155 -9.320 -8.048 1.00 24.13 C ATOM 285 CD1 LEU A 20 -5.147 -8.089 -7.158 1.00 23.00 C ATOM 286 CD2 LEU A 20 -5.612 -8.956 -9.450 1.00 13.22 C ATOM 0 H LEU A 20 -1.930 -11.263 -9.050 1.00 44.34 H new ATOM 0 HA LEU A 20 -3.122 -8.846 -9.794 1.00 25.24 H new ATOM 0 HB2 LEU A 20 -3.912 -11.013 -8.487 1.00 33.14 H new ATOM 0 HB3 LEU A 20 -3.419 -10.111 -7.067 1.00 33.14 H new ATOM 0 HG LEU A 20 -5.860 -10.031 -7.618 1.00 24.13 H new ATOM 0 HD11 LEU A 20 -6.138 -7.635 -7.156 1.00 23.00 H new ATOM 0 HD12 LEU A 20 -4.877 -8.376 -6.142 1.00 23.00 H new ATOM 0 HD13 LEU A 20 -4.420 -7.371 -7.537 1.00 23.00 H new ATOM 0 HD21 LEU A 20 -6.588 -8.472 -9.401 1.00 13.22 H new ATOM 0 HD22 LEU A 20 -4.891 -8.274 -9.902 1.00 13.22 H new ATOM 0 HD23 LEU A 20 -5.685 -9.860 -10.055 1.00 13.22 H new ATOM 297 N CYS A 21 -0.990 -8.599 -7.321 1.00 52.32 N ATOM 298 CA CYS A 21 -0.247 -7.653 -6.497 1.00 40.31 C ATOM 299 C CYS A 21 0.564 -6.707 -7.381 1.00 5.34 C ATOM 300 O CYS A 21 0.675 -5.515 -7.095 1.00 32.22 O ATOM 301 CB CYS A 21 0.670 -8.401 -5.525 1.00 30.01 C ATOM 302 SG CYS A 21 1.474 -7.341 -4.299 1.00 4.14 S ATOM 0 H CYS A 21 -0.668 -9.564 -7.247 1.00 52.32 H new ATOM 0 HA CYS A 21 -0.955 -7.062 -5.916 1.00 40.31 H new ATOM 0 HB2 CYS A 21 0.087 -9.161 -5.005 1.00 30.01 H new ATOM 0 HB3 CYS A 21 1.437 -8.923 -6.096 1.00 30.01 H new ATOM 0 HG CYS A 21 1.564 -6.131 -4.764 1.00 4.14 H new ATOM 307 N GLU A 22 1.103 -7.244 -8.475 1.00 72.32 N ATOM 308 CA GLU A 22 1.869 -6.447 -9.427 1.00 73.43 C ATOM 309 C GLU A 22 0.948 -5.479 -10.160 1.00 51.10 C ATOM 310 O GLU A 22 1.343 -4.367 -10.516 1.00 24.21 O ATOM 311 CB GLU A 22 2.580 -7.351 -10.434 1.00 23.11 C ATOM 312 CG GLU A 22 3.432 -8.438 -9.794 1.00 33.30 C ATOM 313 CD GLU A 22 4.056 -9.360 -10.819 1.00 12.52 C ATOM 314 OE1 GLU A 22 3.303 -10.038 -11.544 1.00 65.11 O ATOM 315 OE2 GLU A 22 5.299 -9.400 -10.922 1.00 61.25 O ATOM 0 H GLU A 22 1.022 -8.230 -8.723 1.00 72.32 H new ATOM 0 HA GLU A 22 2.619 -5.879 -8.877 1.00 73.43 H new ATOM 0 HB2 GLU A 22 1.834 -7.819 -11.077 1.00 23.11 H new ATOM 0 HB3 GLU A 22 3.213 -6.737 -11.075 1.00 23.11 H new ATOM 0 HG2 GLU A 22 4.219 -7.975 -9.198 1.00 33.30 H new ATOM 0 HG3 GLU A 22 2.817 -9.023 -9.110 1.00 33.30 H new ATOM 320 N GLU A 23 -0.288 -5.915 -10.379 1.00 3.20 N ATOM 321 CA GLU A 23 -1.302 -5.082 -11.005 1.00 43.24 C ATOM 322 C GLU A 23 -1.618 -3.877 -10.125 1.00 71.11 C ATOM 323 O GLU A 23 -1.857 -2.772 -10.621 1.00 71.44 O ATOM 324 CB GLU A 23 -2.567 -5.901 -11.267 1.00 73.13 C ATOM 325 CG GLU A 23 -2.332 -7.087 -12.188 1.00 51.20 C ATOM 326 CD GLU A 23 -3.599 -7.853 -12.488 1.00 25.40 C ATOM 327 OE1 GLU A 23 -4.507 -7.282 -13.130 1.00 11.45 O ATOM 328 OE2 GLU A 23 -3.695 -9.037 -12.097 1.00 32.32 O ATOM 0 H GLU A 23 -0.611 -6.850 -10.129 1.00 3.20 H new ATOM 0 HA GLU A 23 -0.918 -4.719 -11.958 1.00 43.24 H new ATOM 0 HB2 GLU A 23 -2.963 -6.260 -10.317 1.00 73.13 H new ATOM 0 HB3 GLU A 23 -3.327 -5.254 -11.705 1.00 73.13 H new ATOM 0 HG2 GLU A 23 -1.895 -6.735 -13.123 1.00 51.20 H new ATOM 0 HG3 GLU A 23 -1.606 -7.759 -11.730 1.00 51.20 H new ATOM 333 N MET A 24 -1.611 -4.094 -8.817 1.00 3.20 N ATOM 334 CA MET A 24 -1.776 -2.997 -7.869 1.00 24.12 C ATOM 335 C MET A 24 -0.607 -2.029 -7.987 1.00 11.21 C ATOM 336 O MET A 24 -0.794 -0.816 -8.020 1.00 3.20 O ATOM 337 CB MET A 24 -1.870 -3.503 -6.428 1.00 4.23 C ATOM 338 CG MET A 24 -3.058 -4.413 -6.162 1.00 11.43 C ATOM 339 SD MET A 24 -3.189 -4.896 -4.427 1.00 20.41 S ATOM 340 CE MET A 24 -3.485 -3.308 -3.641 1.00 43.43 C ATOM 0 H MET A 24 -1.494 -5.012 -8.389 1.00 3.20 H new ATOM 0 HA MET A 24 -2.709 -2.489 -8.113 1.00 24.12 H new ATOM 0 HB2 MET A 24 -0.954 -4.040 -6.183 1.00 4.23 H new ATOM 0 HB3 MET A 24 -1.926 -2.646 -5.757 1.00 4.23 H new ATOM 0 HG2 MET A 24 -3.974 -3.906 -6.464 1.00 11.43 H new ATOM 0 HG3 MET A 24 -2.971 -5.308 -6.779 1.00 11.43 H new ATOM 0 HE1 MET A 24 -2.595 -3.003 -3.091 1.00 43.43 H new ATOM 0 HE2 MET A 24 -3.714 -2.562 -4.402 1.00 43.43 H new ATOM 0 HE3 MET A 24 -4.326 -3.394 -2.952 1.00 43.43 H new ATOM 348 N ILE A 25 0.602 -2.583 -8.078 1.00 60.51 N ATOM 349 CA ILE A 25 1.815 -1.781 -8.212 1.00 4.44 C ATOM 350 C ILE A 25 1.716 -0.834 -9.408 1.00 54.02 C ATOM 351 O ILE A 25 1.969 0.364 -9.277 1.00 41.24 O ATOM 352 CB ILE A 25 3.064 -2.678 -8.376 1.00 11.24 C ATOM 353 CG1 ILE A 25 3.251 -3.555 -7.137 1.00 54.55 C ATOM 354 CG2 ILE A 25 4.311 -1.836 -8.633 1.00 14.21 C ATOM 355 CD1 ILE A 25 4.404 -4.531 -7.245 1.00 12.42 C ATOM 0 H ILE A 25 0.766 -3.590 -8.061 1.00 60.51 H new ATOM 0 HA ILE A 25 1.916 -1.196 -7.298 1.00 4.44 H new ATOM 0 HB ILE A 25 2.912 -3.324 -9.241 1.00 11.24 H new ATOM 0 HG12 ILE A 25 3.411 -2.913 -6.270 1.00 54.55 H new ATOM 0 HG13 ILE A 25 2.332 -4.112 -6.956 1.00 54.55 H new ATOM 0 HG21 ILE A 25 5.175 -2.491 -8.745 1.00 14.21 H new ATOM 0 HG22 ILE A 25 4.176 -1.255 -9.545 1.00 14.21 H new ATOM 0 HG23 ILE A 25 4.473 -1.161 -7.793 1.00 14.21 H new ATOM 0 HD11 ILE A 25 4.472 -5.117 -6.328 1.00 12.42 H new ATOM 0 HD12 ILE A 25 4.238 -5.199 -8.090 1.00 12.42 H new ATOM 0 HD13 ILE A 25 5.333 -3.981 -7.394 1.00 12.42 H new ATOM 366 N ALA A 26 1.333 -1.377 -10.561 1.00 64.32 N ATOM 367 CA ALA A 26 1.197 -0.586 -11.781 1.00 63.13 C ATOM 368 C ALA A 26 0.143 0.507 -11.608 1.00 72.01 C ATOM 369 O ALA A 26 0.328 1.641 -12.052 1.00 50.22 O ATOM 370 CB ALA A 26 0.844 -1.484 -12.959 1.00 4.33 C ATOM 0 H ALA A 26 1.111 -2.366 -10.676 1.00 64.32 H new ATOM 0 HA ALA A 26 2.154 -0.105 -11.983 1.00 63.13 H new ATOM 0 HB1 ALA A 26 0.746 -0.880 -13.861 1.00 4.33 H new ATOM 0 HB2 ALA A 26 1.632 -2.224 -13.102 1.00 4.33 H new ATOM 0 HB3 ALA A 26 -0.099 -1.993 -12.759 1.00 4.33 H new ATOM 376 N SER A 27 -0.946 0.157 -10.941 1.00 64.14 N ATOM 377 CA SER A 27 -2.022 1.102 -10.679 1.00 21.22 C ATOM 378 C SER A 27 -1.528 2.254 -9.800 1.00 4.01 C ATOM 379 O SER A 27 -1.859 3.419 -10.034 1.00 62.21 O ATOM 380 CB SER A 27 -3.187 0.375 -10.004 1.00 55.42 C ATOM 381 OG SER A 27 -3.666 -0.681 -10.826 1.00 34.44 O ATOM 0 H SER A 27 -1.109 -0.779 -10.570 1.00 64.14 H new ATOM 0 HA SER A 27 -2.362 1.523 -11.625 1.00 21.22 H new ATOM 0 HB2 SER A 27 -2.865 -0.024 -9.042 1.00 55.42 H new ATOM 0 HB3 SER A 27 -3.994 1.080 -9.802 1.00 55.42 H new ATOM 0 HG SER A 27 -3.047 -1.439 -10.778 1.00 34.44 H new ATOM 386 N LEU A 28 -0.723 1.913 -8.799 1.00 31.45 N ATOM 387 CA LEU A 28 -0.150 2.897 -7.891 1.00 13.30 C ATOM 388 C LEU A 28 0.834 3.813 -8.612 1.00 20.32 C ATOM 389 O LEU A 28 0.944 4.993 -8.284 1.00 13.33 O ATOM 390 CB LEU A 28 0.537 2.197 -6.712 1.00 1.01 C ATOM 391 CG LEU A 28 -0.345 1.984 -5.477 1.00 32.52 C ATOM 392 CD1 LEU A 28 -1.623 1.236 -5.827 1.00 1.23 C ATOM 393 CD2 LEU A 28 0.422 1.235 -4.399 1.00 62.14 C ATOM 0 H LEU A 28 -0.451 0.951 -8.596 1.00 31.45 H new ATOM 0 HA LEU A 28 -0.963 3.515 -7.510 1.00 13.30 H new ATOM 0 HB2 LEU A 28 0.903 1.227 -7.049 1.00 1.01 H new ATOM 0 HB3 LEU A 28 1.409 2.783 -6.420 1.00 1.01 H new ATOM 0 HG LEU A 28 -0.624 2.967 -5.097 1.00 32.52 H new ATOM 0 HD11 LEU A 28 -2.224 1.103 -4.928 1.00 1.23 H new ATOM 0 HD12 LEU A 28 -2.190 1.808 -6.561 1.00 1.23 H new ATOM 0 HD13 LEU A 28 -1.371 0.261 -6.243 1.00 1.23 H new ATOM 0 HD21 LEU A 28 -0.219 1.092 -3.529 1.00 62.14 H new ATOM 0 HD22 LEU A 28 0.734 0.264 -4.783 1.00 62.14 H new ATOM 0 HD23 LEU A 28 1.301 1.811 -4.111 1.00 62.14 H new ATOM 404 N ARG A 29 1.536 3.273 -9.604 1.00 35.44 N ATOM 405 CA ARG A 29 2.494 4.064 -10.375 1.00 53.12 C ATOM 406 C ARG A 29 1.781 5.196 -11.106 1.00 61.53 C ATOM 407 O ARG A 29 2.265 6.328 -11.144 1.00 23.21 O ATOM 408 CB ARG A 29 3.247 3.198 -11.386 1.00 24.15 C ATOM 409 CG ARG A 29 4.052 2.069 -10.765 1.00 40.43 C ATOM 410 CD ARG A 29 5.021 2.579 -9.708 1.00 14.15 C ATOM 411 NE ARG A 29 5.945 3.586 -10.233 1.00 71.41 N ATOM 412 CZ ARG A 29 7.266 3.561 -10.055 1.00 71.04 C ATOM 413 NH1 ARG A 29 7.831 2.566 -9.384 1.00 45.21 N ATOM 414 NH2 ARG A 29 8.019 4.540 -10.546 1.00 45.11 N ATOM 0 H ARG A 29 1.462 2.298 -9.893 1.00 35.44 H new ATOM 0 HA ARG A 29 3.216 4.481 -9.673 1.00 53.12 H new ATOM 0 HB2 ARG A 29 2.530 2.773 -12.089 1.00 24.15 H new ATOM 0 HB3 ARG A 29 3.919 3.834 -11.962 1.00 24.15 H new ATOM 0 HG2 ARG A 29 3.374 1.343 -10.316 1.00 40.43 H new ATOM 0 HG3 ARG A 29 4.607 1.547 -11.545 1.00 40.43 H new ATOM 0 HD2 ARG A 29 4.457 3.006 -8.878 1.00 14.15 H new ATOM 0 HD3 ARG A 29 5.591 1.741 -9.308 1.00 14.15 H new ATOM 0 HE ARG A 29 5.552 4.358 -10.771 1.00 71.41 H new ATOM 0 HH11 ARG A 29 7.254 1.816 -9.002 1.00 45.21 H new ATOM 0 HH12 ARG A 29 8.842 2.551 -9.250 1.00 45.21 H new ATOM 0 HH21 ARG A 29 7.586 5.309 -11.058 1.00 45.11 H new ATOM 0 HH22 ARG A 29 9.030 4.523 -10.411 1.00 45.11 H new ATOM 425 N VAL A 30 0.624 4.877 -11.676 1.00 54.43 N ATOM 426 CA VAL A 30 -0.178 5.864 -12.389 1.00 35.42 C ATOM 427 C VAL A 30 -0.711 6.922 -11.428 1.00 42.34 C ATOM 428 O VAL A 30 -0.655 8.120 -11.718 1.00 64.22 O ATOM 429 CB VAL A 30 -1.354 5.208 -13.144 1.00 22.23 C ATOM 430 CG1 VAL A 30 -2.177 6.256 -13.880 1.00 45.03 C ATOM 431 CG2 VAL A 30 -0.831 4.160 -14.117 1.00 15.42 C ATOM 0 H VAL A 30 0.220 3.941 -11.658 1.00 54.43 H new ATOM 0 HA VAL A 30 0.475 6.339 -13.122 1.00 35.42 H new ATOM 0 HB VAL A 30 -2.002 4.720 -12.416 1.00 22.23 H new ATOM 0 HG11 VAL A 30 -3.000 5.770 -14.405 1.00 45.03 H new ATOM 0 HG12 VAL A 30 -2.577 6.974 -13.164 1.00 45.03 H new ATOM 0 HG13 VAL A 30 -1.545 6.776 -14.600 1.00 45.03 H new ATOM 0 HG21 VAL A 30 -1.668 3.703 -14.644 1.00 15.42 H new ATOM 0 HG22 VAL A 30 -0.163 4.633 -14.837 1.00 15.42 H new ATOM 0 HG23 VAL A 30 -0.287 3.392 -13.567 1.00 15.42 H new ATOM 441 N LEU A 31 -1.212 6.481 -10.277 1.00 43.41 N ATOM 442 CA LEU A 31 -1.735 7.402 -9.273 1.00 51.02 C ATOM 443 C LEU A 31 -0.644 8.315 -8.731 1.00 44.04 C ATOM 444 O LEU A 31 -0.909 9.470 -8.413 1.00 21.44 O ATOM 445 CB LEU A 31 -2.398 6.649 -8.120 1.00 45.41 C ATOM 446 CG LEU A 31 -3.886 6.352 -8.306 1.00 73.45 C ATOM 447 CD1 LEU A 31 -4.441 5.658 -7.072 1.00 12.41 C ATOM 448 CD2 LEU A 31 -4.656 7.638 -8.583 1.00 63.34 C ATOM 0 H LEU A 31 -1.267 5.496 -10.017 1.00 43.41 H new ATOM 0 HA LEU A 31 -2.487 8.016 -9.768 1.00 51.02 H new ATOM 0 HB2 LEU A 31 -1.871 5.706 -7.973 1.00 45.41 H new ATOM 0 HB3 LEU A 31 -2.271 7.231 -7.207 1.00 45.41 H new ATOM 0 HG LEU A 31 -4.004 5.689 -9.163 1.00 73.45 H new ATOM 0 HD11 LEU A 31 -5.501 5.452 -7.217 1.00 12.41 H new ATOM 0 HD12 LEU A 31 -3.908 4.721 -6.911 1.00 12.41 H new ATOM 0 HD13 LEU A 31 -4.312 6.303 -6.203 1.00 12.41 H new ATOM 0 HD21 LEU A 31 -5.714 7.408 -8.713 1.00 63.34 H new ATOM 0 HD22 LEU A 31 -4.534 8.323 -7.744 1.00 63.34 H new ATOM 0 HD23 LEU A 31 -4.272 8.104 -9.491 1.00 63.34 H new ATOM 459 N GLN A 32 0.574 7.798 -8.640 1.00 13.22 N ATOM 460 CA GLN A 32 1.720 8.580 -8.176 1.00 10.31 C ATOM 461 C GLN A 32 1.955 9.814 -9.042 1.00 3.44 C ATOM 462 O GLN A 32 2.573 10.785 -8.604 1.00 71.52 O ATOM 463 CB GLN A 32 2.978 7.720 -8.181 1.00 40.15 C ATOM 464 CG GLN A 32 3.260 7.023 -6.863 1.00 25.12 C ATOM 465 CD GLN A 32 4.424 6.061 -6.967 1.00 13.31 C ATOM 466 OE1 GLN A 32 5.310 6.224 -7.807 1.00 52.11 O ATOM 467 NE2 GLN A 32 4.457 5.072 -6.096 1.00 72.25 N ATOM 0 H GLN A 32 0.798 6.833 -8.883 1.00 13.22 H new ATOM 0 HA GLN A 32 1.496 8.911 -7.162 1.00 10.31 H new ATOM 0 HB2 GLN A 32 2.887 6.968 -8.965 1.00 40.15 H new ATOM 0 HB3 GLN A 32 3.832 8.347 -8.438 1.00 40.15 H new ATOM 0 HG2 GLN A 32 3.473 7.769 -6.097 1.00 25.12 H new ATOM 0 HG3 GLN A 32 2.370 6.482 -6.542 1.00 25.12 H new ATOM 0 HE21 GLN A 32 3.706 4.968 -5.414 1.00 72.25 H new ATOM 0 HE22 GLN A 32 5.234 4.411 -6.104 1.00 72.25 H new ATOM 474 N LYS A 33 1.459 9.770 -10.269 1.00 11.32 N ATOM 475 CA LYS A 33 1.642 10.865 -11.209 1.00 11.41 C ATOM 476 C LYS A 33 0.621 11.968 -10.959 1.00 42.33 C ATOM 477 O LYS A 33 0.723 13.067 -11.506 1.00 14.35 O ATOM 478 CB LYS A 33 1.545 10.346 -12.636 1.00 3.11 C ATOM 479 CG LYS A 33 2.510 9.204 -12.894 1.00 52.02 C ATOM 480 CD LYS A 33 2.617 8.881 -14.363 1.00 62.40 C ATOM 481 CE LYS A 33 1.300 8.389 -14.931 1.00 4.41 C ATOM 482 NZ LYS A 33 1.431 7.999 -16.357 1.00 61.10 N ATOM 0 H LYS A 33 0.924 8.984 -10.638 1.00 11.32 H new ATOM 0 HA LYS A 33 2.634 11.292 -11.062 1.00 11.41 H new ATOM 0 HB2 LYS A 33 0.526 10.011 -12.831 1.00 3.11 H new ATOM 0 HB3 LYS A 33 1.752 11.159 -13.332 1.00 3.11 H new ATOM 0 HG2 LYS A 33 3.495 9.466 -12.507 1.00 52.02 H new ATOM 0 HG3 LYS A 33 2.179 8.319 -12.351 1.00 52.02 H new ATOM 0 HD2 LYS A 33 2.938 9.769 -14.908 1.00 62.40 H new ATOM 0 HD3 LYS A 33 3.384 8.121 -14.513 1.00 62.40 H new ATOM 0 HE2 LYS A 33 0.949 7.536 -14.351 1.00 4.41 H new ATOM 0 HE3 LYS A 33 0.547 9.171 -14.835 1.00 4.41 H new ATOM 0 HZ1 LYS A 33 0.511 7.668 -16.712 1.00 61.10 H new ATOM 0 HZ2 LYS A 33 1.742 8.820 -16.914 1.00 61.10 H new ATOM 0 HZ3 LYS A 33 2.132 7.235 -16.445 1.00 61.10 H new ATOM 492 N LYS A 34 -0.368 11.657 -10.134 1.00 71.24 N ATOM 493 CA LYS A 34 -1.379 12.629 -9.739 1.00 12.41 C ATOM 494 C LYS A 34 -1.207 12.990 -8.270 1.00 5.15 C ATOM 495 O LYS A 34 -1.254 14.159 -7.890 1.00 32.34 O ATOM 496 CB LYS A 34 -2.779 12.066 -9.977 1.00 54.00 C ATOM 497 CG LYS A 34 -3.075 11.820 -11.443 1.00 2.43 C ATOM 498 CD LYS A 34 -4.481 11.292 -11.653 1.00 25.20 C ATOM 499 CE LYS A 34 -4.828 11.230 -13.130 1.00 34.42 C ATOM 500 NZ LYS A 34 -4.754 12.571 -13.768 1.00 13.32 N ATOM 0 H LYS A 34 -0.493 10.732 -9.722 1.00 71.24 H new ATOM 0 HA LYS A 34 -1.256 13.527 -10.344 1.00 12.41 H new ATOM 0 HB2 LYS A 34 -2.887 11.131 -9.428 1.00 54.00 H new ATOM 0 HB3 LYS A 34 -3.517 12.759 -9.574 1.00 54.00 H new ATOM 0 HG2 LYS A 34 -2.948 12.748 -12.000 1.00 2.43 H new ATOM 0 HG3 LYS A 34 -2.355 11.107 -11.844 1.00 2.43 H new ATOM 0 HD2 LYS A 34 -4.569 10.298 -11.214 1.00 25.20 H new ATOM 0 HD3 LYS A 34 -5.194 11.933 -11.135 1.00 25.20 H new ATOM 0 HE2 LYS A 34 -4.145 10.548 -13.636 1.00 34.42 H new ATOM 0 HE3 LYS A 34 -5.832 10.824 -13.251 1.00 34.42 H new ATOM 0 HZ1 LYS A 34 -5.318 12.571 -14.642 1.00 13.32 H new ATOM 0 HZ2 LYS A 34 -5.128 13.288 -13.114 1.00 13.32 H new ATOM 0 HZ3 LYS A 34 -3.764 12.793 -13.995 1.00 13.32 H new ATOM 510 N SER A 35 -0.990 11.964 -7.464 1.00 43.34 N ATOM 511 CA SER A 35 -0.839 12.109 -6.030 1.00 25.15 C ATOM 512 C SER A 35 0.300 11.220 -5.545 1.00 20.42 C ATOM 513 O SER A 35 0.231 9.997 -5.654 1.00 63.21 O ATOM 514 CB SER A 35 -2.149 11.719 -5.334 1.00 63.25 C ATOM 515 OG SER A 35 -3.202 12.608 -5.681 1.00 43.44 O ATOM 0 H SER A 35 -0.913 11.001 -7.791 1.00 43.34 H new ATOM 0 HA SER A 35 -0.606 13.146 -5.789 1.00 25.15 H new ATOM 0 HB2 SER A 35 -2.423 10.701 -5.613 1.00 63.25 H new ATOM 0 HB3 SER A 35 -2.005 11.726 -4.254 1.00 63.25 H new ATOM 0 HG SER A 35 -4.025 12.334 -5.224 1.00 43.44 H new ATOM 520 N TRP A 36 1.360 11.830 -5.037 1.00 25.54 N ATOM 521 CA TRP A 36 2.509 11.070 -4.582 1.00 32.20 C ATOM 522 C TRP A 36 2.268 10.508 -3.187 1.00 65.32 C ATOM 523 O TRP A 36 1.952 11.244 -2.251 1.00 71.02 O ATOM 524 CB TRP A 36 3.773 11.926 -4.577 1.00 1.51 C ATOM 525 CG TRP A 36 5.008 11.121 -4.316 1.00 23.40 C ATOM 526 CD1 TRP A 36 5.637 10.940 -3.118 1.00 23.50 C ATOM 527 CD2 TRP A 36 5.752 10.369 -5.279 1.00 51.44 C ATOM 528 NE1 TRP A 36 6.724 10.121 -3.283 1.00 34.25 N ATOM 529 CE2 TRP A 36 6.819 9.762 -4.598 1.00 23.32 C ATOM 530 CE3 TRP A 36 5.616 10.151 -6.653 1.00 33.05 C ATOM 531 CZ2 TRP A 36 7.743 8.947 -5.237 1.00 13.53 C ATOM 532 CZ3 TRP A 36 6.539 9.348 -7.292 1.00 22.34 C ATOM 533 CH2 TRP A 36 7.593 8.753 -6.584 1.00 1.24 C ATOM 0 H TRP A 36 1.447 12.841 -4.931 1.00 25.54 H new ATOM 0 HA TRP A 36 2.650 10.245 -5.280 1.00 32.20 H new ATOM 0 HB2 TRP A 36 3.869 12.432 -5.537 1.00 1.51 H new ATOM 0 HB3 TRP A 36 3.680 12.701 -3.816 1.00 1.51 H new ATOM 0 HD1 TRP A 36 5.325 11.377 -2.181 1.00 23.50 H new ATOM 0 HE1 TRP A 36 7.360 9.827 -2.542 1.00 34.25 H new ATOM 0 HE3 TRP A 36 4.804 10.602 -7.204 1.00 33.05 H new ATOM 0 HZ2 TRP A 36 8.551 8.483 -4.691 1.00 13.53 H new ATOM 0 HZ3 TRP A 36 6.448 9.175 -8.354 1.00 22.34 H new ATOM 0 HH2 TRP A 36 8.300 8.130 -7.111 1.00 1.24 H new ATOM 543 N PHE A 37 2.421 9.201 -3.064 1.00 43.34 N ATOM 544 CA PHE A 37 2.267 8.523 -1.787 1.00 13.32 C ATOM 545 C PHE A 37 3.401 7.534 -1.558 1.00 72.02 C ATOM 546 O PHE A 37 3.302 6.654 -0.700 1.00 72.25 O ATOM 547 CB PHE A 37 0.915 7.804 -1.726 1.00 1.51 C ATOM 548 CG PHE A 37 0.537 7.066 -2.985 1.00 15.21 C ATOM 549 CD1 PHE A 37 1.163 5.882 -3.336 1.00 62.41 C ATOM 550 CD2 PHE A 37 -0.458 7.560 -3.810 1.00 23.43 C ATOM 551 CE1 PHE A 37 0.807 5.206 -4.484 1.00 63.13 C ATOM 552 CE2 PHE A 37 -0.821 6.887 -4.959 1.00 34.02 C ATOM 553 CZ PHE A 37 -0.189 5.708 -5.297 1.00 54.15 C ATOM 0 H PHE A 37 2.654 8.582 -3.841 1.00 43.34 H new ATOM 0 HA PHE A 37 2.303 9.273 -0.997 1.00 13.32 H new ATOM 0 HB2 PHE A 37 0.932 7.096 -0.897 1.00 1.51 H new ATOM 0 HB3 PHE A 37 0.139 8.536 -1.503 1.00 1.51 H new ATOM 0 HD1 PHE A 37 1.941 5.482 -2.702 1.00 62.41 H new ATOM 0 HD2 PHE A 37 -0.956 8.483 -3.552 1.00 23.43 H new ATOM 0 HE1 PHE A 37 1.307 4.285 -4.747 1.00 63.13 H new ATOM 0 HE2 PHE A 37 -1.600 7.283 -5.594 1.00 34.02 H new ATOM 0 HZ PHE A 37 -0.473 5.180 -6.195 1.00 54.15 H new ATOM 562 N GLU A 38 4.487 7.700 -2.313 1.00 53.23 N ATOM 563 CA GLU A 38 5.609 6.767 -2.273 1.00 41.11 C ATOM 564 C GLU A 38 5.148 5.367 -2.669 1.00 42.10 C ATOM 565 O GLU A 38 3.992 5.153 -3.033 1.00 15.31 O ATOM 566 CB GLU A 38 6.243 6.736 -0.876 1.00 21.14 C ATOM 567 CG GLU A 38 6.942 8.023 -0.487 1.00 73.11 C ATOM 568 CD GLU A 38 8.377 8.088 -0.960 1.00 44.30 C ATOM 569 OE1 GLU A 38 9.224 7.365 -0.400 1.00 64.22 O ATOM 570 OE2 GLU A 38 8.667 8.878 -1.883 1.00 75.52 O ATOM 0 H GLU A 38 4.612 8.477 -2.962 1.00 53.23 H new ATOM 0 HA GLU A 38 6.360 7.108 -2.985 1.00 41.11 H new ATOM 0 HB2 GLU A 38 5.468 6.519 -0.141 1.00 21.14 H new ATOM 0 HB3 GLU A 38 6.961 5.917 -0.832 1.00 21.14 H new ATOM 0 HG2 GLU A 38 6.391 8.868 -0.901 1.00 73.11 H new ATOM 0 HG3 GLU A 38 6.919 8.128 0.598 1.00 73.11 H new ATOM 575 N LEU A 39 6.061 4.424 -2.663 1.00 33.41 N ATOM 576 CA LEU A 39 5.690 3.037 -2.875 1.00 72.44 C ATOM 577 C LEU A 39 6.668 2.096 -2.199 1.00 75.52 C ATOM 578 O LEU A 39 7.832 2.017 -2.586 1.00 12.12 O ATOM 579 CB LEU A 39 5.572 2.722 -4.368 1.00 43.14 C ATOM 580 CG LEU A 39 4.971 1.354 -4.706 1.00 2.21 C ATOM 581 CD1 LEU A 39 3.845 0.996 -3.742 1.00 13.30 C ATOM 582 CD2 LEU A 39 4.444 1.355 -6.132 1.00 2.03 C ATOM 0 H LEU A 39 7.057 4.585 -2.516 1.00 33.41 H new ATOM 0 HA LEU A 39 4.712 2.883 -2.419 1.00 72.44 H new ATOM 0 HB2 LEU A 39 4.962 3.494 -4.838 1.00 43.14 H new ATOM 0 HB3 LEU A 39 6.564 2.784 -4.815 1.00 43.14 H new ATOM 0 HG LEU A 39 5.758 0.606 -4.609 1.00 2.21 H new ATOM 0 HD11 LEU A 39 3.437 0.020 -4.005 1.00 13.30 H new ATOM 0 HD12 LEU A 39 4.234 0.964 -2.724 1.00 13.30 H new ATOM 0 HD13 LEU A 39 3.058 1.748 -3.806 1.00 13.30 H new ATOM 0 HD21 LEU A 39 4.019 0.378 -6.363 1.00 2.03 H new ATOM 0 HD22 LEU A 39 3.674 2.120 -6.235 1.00 2.03 H new ATOM 0 HD23 LEU A 39 5.261 1.568 -6.822 1.00 2.03 H new ATOM 593 N GLU A 40 6.199 1.400 -1.178 1.00 21.32 N ATOM 594 CA GLU A 40 6.997 0.368 -0.549 1.00 40.44 C ATOM 595 C GLU A 40 6.275 -0.965 -0.657 1.00 21.31 C ATOM 596 O GLU A 40 5.165 -1.126 -0.151 1.00 24.33 O ATOM 597 CB GLU A 40 7.282 0.720 0.913 1.00 55.34 C ATOM 598 CG GLU A 40 8.214 -0.255 1.607 1.00 34.31 C ATOM 599 CD GLU A 40 8.888 0.356 2.814 1.00 72.34 C ATOM 600 OE1 GLU A 40 8.249 0.448 3.877 1.00 41.41 O ATOM 601 OE2 GLU A 40 10.059 0.773 2.694 1.00 3.42 O ATOM 0 H GLU A 40 5.273 1.531 -0.770 1.00 21.32 H new ATOM 0 HA GLU A 40 7.956 0.293 -1.062 1.00 40.44 H new ATOM 0 HB2 GLU A 40 7.717 1.719 0.958 1.00 55.34 H new ATOM 0 HB3 GLU A 40 6.339 0.758 1.458 1.00 55.34 H new ATOM 0 HG2 GLU A 40 7.651 -1.136 1.915 1.00 34.31 H new ATOM 0 HG3 GLU A 40 8.973 -0.593 0.902 1.00 34.31 H new ATOM 606 N VAL A 41 6.898 -1.906 -1.345 1.00 75.31 N ATOM 607 CA VAL A 41 6.328 -3.232 -1.517 1.00 14.11 C ATOM 608 C VAL A 41 7.066 -4.224 -0.637 1.00 11.24 C ATOM 609 O VAL A 41 8.220 -4.565 -0.895 1.00 14.32 O ATOM 610 CB VAL A 41 6.392 -3.699 -2.988 1.00 11.32 C ATOM 611 CG1 VAL A 41 5.723 -5.055 -3.154 1.00 25.42 C ATOM 612 CG2 VAL A 41 5.747 -2.670 -3.908 1.00 62.52 C ATOM 0 H VAL A 41 7.804 -1.776 -1.796 1.00 75.31 H new ATOM 0 HA VAL A 41 5.278 -3.182 -1.227 1.00 14.11 H new ATOM 0 HB VAL A 41 7.441 -3.799 -3.266 1.00 11.32 H new ATOM 0 HG11 VAL A 41 5.780 -5.364 -4.198 1.00 25.42 H new ATOM 0 HG12 VAL A 41 6.231 -5.790 -2.530 1.00 25.42 H new ATOM 0 HG13 VAL A 41 4.678 -4.984 -2.853 1.00 25.42 H new ATOM 0 HG21 VAL A 41 5.803 -3.018 -4.939 1.00 62.52 H new ATOM 0 HG22 VAL A 41 4.703 -2.534 -3.627 1.00 62.52 H new ATOM 0 HG23 VAL A 41 6.273 -1.720 -3.817 1.00 62.52 H new ATOM 622 N ILE A 42 6.401 -4.669 0.410 1.00 33.11 N ATOM 623 CA ILE A 42 7.014 -5.564 1.368 1.00 53.13 C ATOM 624 C ILE A 42 6.433 -6.961 1.239 1.00 51.44 C ATOM 625 O ILE A 42 5.249 -7.186 1.506 1.00 24.33 O ATOM 626 CB ILE A 42 6.833 -5.052 2.810 1.00 32.43 C ATOM 627 CG1 ILE A 42 7.375 -3.625 2.927 1.00 5.11 C ATOM 628 CG2 ILE A 42 7.542 -5.978 3.790 1.00 71.52 C ATOM 629 CD1 ILE A 42 7.244 -3.036 4.311 1.00 20.33 C ATOM 0 H ILE A 42 5.433 -4.424 0.619 1.00 33.11 H new ATOM 0 HA ILE A 42 8.081 -5.599 1.150 1.00 53.13 H new ATOM 0 HB ILE A 42 5.771 -5.043 3.055 1.00 32.43 H new ATOM 0 HG12 ILE A 42 8.426 -3.621 2.638 1.00 5.11 H new ATOM 0 HG13 ILE A 42 6.847 -2.986 2.219 1.00 5.11 H new ATOM 0 HG21 ILE A 42 7.407 -5.605 4.805 1.00 71.52 H new ATOM 0 HG22 ILE A 42 7.122 -6.981 3.712 1.00 71.52 H new ATOM 0 HG23 ILE A 42 8.606 -6.011 3.554 1.00 71.52 H new ATOM 0 HD11 ILE A 42 7.649 -2.024 4.316 1.00 20.33 H new ATOM 0 HD12 ILE A 42 6.192 -3.007 4.596 1.00 20.33 H new ATOM 0 HD13 ILE A 42 7.796 -3.651 5.022 1.00 20.33 H new ATOM 640 N ASN A 43 7.263 -7.890 0.802 1.00 53.35 N ATOM 641 CA ASN A 43 6.850 -9.275 0.665 1.00 4.13 C ATOM 642 C ASN A 43 6.912 -9.975 2.010 1.00 65.44 C ATOM 643 O ASN A 43 7.949 -9.966 2.675 1.00 35.43 O ATOM 644 CB ASN A 43 7.732 -10.015 -0.349 1.00 51.45 C ATOM 645 CG ASN A 43 7.548 -9.509 -1.767 1.00 52.24 C ATOM 646 OD1 ASN A 43 8.224 -8.576 -2.201 1.00 31.43 O ATOM 647 ND2 ASN A 43 6.637 -10.130 -2.506 1.00 15.13 N ATOM 0 H ASN A 43 8.231 -7.710 0.535 1.00 53.35 H new ATOM 0 HA ASN A 43 5.823 -9.287 0.300 1.00 4.13 H new ATOM 0 HB2 ASN A 43 8.778 -9.906 -0.062 1.00 51.45 H new ATOM 0 HB3 ASN A 43 7.502 -11.080 -0.315 1.00 51.45 H new ATOM 0 HD21 ASN A 43 6.477 -9.838 -3.470 1.00 15.13 H new ATOM 0 HD22 ASN A 43 6.097 -10.899 -2.110 1.00 15.13 H new ATOM 653 N ILE A 44 5.792 -10.564 2.421 1.00 11.44 N ATOM 654 CA ILE A 44 5.750 -11.306 3.672 1.00 0.22 C ATOM 655 C ILE A 44 6.556 -12.589 3.546 1.00 12.35 C ATOM 656 O ILE A 44 7.125 -13.067 4.527 1.00 44.43 O ATOM 657 CB ILE A 44 4.307 -11.628 4.123 1.00 74.33 C ATOM 658 CG1 ILE A 44 3.569 -12.428 3.053 1.00 20.13 C ATOM 659 CG2 ILE A 44 3.565 -10.335 4.447 1.00 11.32 C ATOM 660 CD1 ILE A 44 2.205 -12.899 3.494 1.00 31.21 C ATOM 0 H ILE A 44 4.910 -10.541 1.909 1.00 11.44 H new ATOM 0 HA ILE A 44 6.191 -10.668 4.438 1.00 0.22 H new ATOM 0 HB ILE A 44 4.349 -12.241 5.023 1.00 74.33 H new ATOM 0 HG12 ILE A 44 3.462 -11.814 2.159 1.00 20.13 H new ATOM 0 HG13 ILE A 44 4.172 -13.293 2.775 1.00 20.13 H new ATOM 0 HG21 ILE A 44 2.549 -10.568 4.764 1.00 11.32 H new ATOM 0 HG22 ILE A 44 4.084 -9.809 5.249 1.00 11.32 H new ATOM 0 HG23 ILE A 44 3.532 -9.702 3.560 1.00 11.32 H new ATOM 0 HD11 ILE A 44 1.735 -13.461 2.687 1.00 31.21 H new ATOM 0 HD12 ILE A 44 2.307 -13.539 4.370 1.00 31.21 H new ATOM 0 HD13 ILE A 44 1.586 -12.037 3.744 1.00 31.21 H new ATOM 671 N ASP A 45 6.611 -13.136 2.328 1.00 63.25 N ATOM 672 CA ASP A 45 7.511 -14.245 2.031 1.00 3.21 C ATOM 673 C ASP A 45 8.952 -13.797 2.191 1.00 33.31 C ATOM 674 O ASP A 45 9.548 -13.227 1.277 1.00 44.23 O ATOM 675 CB ASP A 45 7.291 -14.790 0.619 1.00 2.31 C ATOM 676 CG ASP A 45 6.330 -15.961 0.592 1.00 34.03 C ATOM 677 OD1 ASP A 45 6.771 -17.103 0.838 1.00 14.12 O ATOM 678 OD2 ASP A 45 5.133 -15.747 0.315 1.00 33.23 O ATOM 0 H ASP A 45 6.044 -12.828 1.538 1.00 63.25 H new ATOM 0 HA ASP A 45 7.294 -15.048 2.736 1.00 3.21 H new ATOM 0 HB2 ASP A 45 6.906 -13.994 -0.018 1.00 2.31 H new ATOM 0 HB3 ASP A 45 8.248 -15.100 0.199 1.00 2.31 H new ATOM 682 N GLY A 46 9.491 -14.039 3.372 1.00 70.21 N ATOM 683 CA GLY A 46 10.812 -13.568 3.708 1.00 33.35 C ATOM 684 C GLY A 46 10.864 -13.118 5.150 1.00 63.24 C ATOM 685 O GLY A 46 11.906 -13.183 5.801 1.00 42.50 O ATOM 0 H GLY A 46 9.027 -14.562 4.115 1.00 70.21 H new ATOM 0 HA2 GLY A 46 11.540 -14.362 3.542 1.00 33.35 H new ATOM 0 HA3 GLY A 46 11.087 -12.741 3.053 1.00 33.35 H new ATOM 689 N ASN A 47 9.719 -12.680 5.655 1.00 33.21 N ATOM 690 CA ASN A 47 9.605 -12.240 7.037 1.00 65.51 C ATOM 691 C ASN A 47 8.570 -13.083 7.766 1.00 24.33 C ATOM 692 O ASN A 47 7.369 -12.966 7.507 1.00 64.42 O ATOM 693 CB ASN A 47 9.217 -10.760 7.120 1.00 62.23 C ATOM 694 CG ASN A 47 10.312 -9.833 6.637 1.00 51.54 C ATOM 695 OD1 ASN A 47 11.190 -9.441 7.405 1.00 31.54 O ATOM 696 ND2 ASN A 47 10.260 -9.454 5.367 1.00 64.35 N ATOM 0 H ASN A 47 8.851 -12.620 5.123 1.00 33.21 H new ATOM 0 HA ASN A 47 10.579 -12.364 7.511 1.00 65.51 H new ATOM 0 HB2 ASN A 47 8.318 -10.592 6.526 1.00 62.23 H new ATOM 0 HB3 ASN A 47 8.968 -10.513 8.152 1.00 62.23 H new ATOM 0 HD21 ASN A 47 10.964 -8.816 4.996 1.00 64.35 H new ATOM 0 HD22 ASN A 47 9.516 -9.801 4.761 1.00 64.35 H new ATOM 702 N GLU A 48 9.040 -13.926 8.670 1.00 53.24 N ATOM 703 CA GLU A 48 8.166 -14.812 9.429 1.00 21.43 C ATOM 704 C GLU A 48 7.129 -14.008 10.211 1.00 43.41 C ATOM 705 O GLU A 48 5.947 -14.355 10.228 1.00 62.54 O ATOM 706 CB GLU A 48 9.004 -15.673 10.377 1.00 23.42 C ATOM 707 CG GLU A 48 8.191 -16.616 11.251 1.00 74.51 C ATOM 708 CD GLU A 48 7.382 -17.622 10.459 1.00 74.22 C ATOM 709 OE1 GLU A 48 7.938 -18.252 9.537 1.00 44.23 O ATOM 710 OE2 GLU A 48 6.196 -17.821 10.791 1.00 75.35 O ATOM 0 H GLU A 48 10.030 -14.017 8.899 1.00 53.24 H new ATOM 0 HA GLU A 48 7.634 -15.462 8.735 1.00 21.43 H new ATOM 0 HB2 GLU A 48 9.709 -16.260 9.788 1.00 23.42 H new ATOM 0 HB3 GLU A 48 9.592 -15.018 11.019 1.00 23.42 H new ATOM 0 HG2 GLU A 48 8.865 -17.150 11.922 1.00 74.51 H new ATOM 0 HG3 GLU A 48 7.517 -16.030 11.876 1.00 74.51 H new ATOM 715 N HIS A 49 7.572 -12.914 10.825 1.00 5.32 N ATOM 716 CA HIS A 49 6.682 -12.058 11.608 1.00 24.31 C ATOM 717 C HIS A 49 5.531 -11.529 10.755 1.00 74.10 C ATOM 718 O HIS A 49 4.385 -11.494 11.200 1.00 44.13 O ATOM 719 CB HIS A 49 7.453 -10.891 12.234 1.00 42.42 C ATOM 720 CG HIS A 49 8.192 -11.259 13.481 1.00 44.23 C ATOM 721 ND1 HIS A 49 9.556 -11.129 13.621 1.00 23.03 N ATOM 722 CD2 HIS A 49 7.739 -11.741 14.663 1.00 50.41 C ATOM 723 CE1 HIS A 49 9.911 -11.517 14.832 1.00 40.14 C ATOM 724 NE2 HIS A 49 8.826 -11.893 15.485 1.00 53.21 N ATOM 0 H HIS A 49 8.542 -12.598 10.796 1.00 5.32 H new ATOM 0 HA HIS A 49 6.264 -12.668 12.409 1.00 24.31 H new ATOM 0 HB2 HIS A 49 8.162 -10.502 11.503 1.00 42.42 H new ATOM 0 HB3 HIS A 49 6.755 -10.085 12.460 1.00 42.42 H new ATOM 0 HD2 HIS A 49 6.712 -11.964 14.912 1.00 50.41 H new ATOM 0 HE1 HIS A 49 10.918 -11.526 15.223 1.00 40.14 H new ATOM 0 HE2 HIS A 49 8.801 -12.240 16.444 1.00 53.21 H new ATOM 731 N LEU A 50 5.835 -11.139 9.523 1.00 23.34 N ATOM 732 CA LEU A 50 4.815 -10.618 8.621 1.00 23.44 C ATOM 733 C LEU A 50 3.959 -11.746 8.059 1.00 63.35 C ATOM 734 O LEU A 50 2.778 -11.553 7.774 1.00 54.34 O ATOM 735 CB LEU A 50 5.448 -9.824 7.480 1.00 63.41 C ATOM 736 CG LEU A 50 6.212 -8.575 7.912 1.00 44.13 C ATOM 737 CD1 LEU A 50 6.749 -7.837 6.701 1.00 11.32 C ATOM 738 CD2 LEU A 50 5.320 -7.661 8.743 1.00 25.15 C ATOM 0 H LEU A 50 6.774 -11.173 9.127 1.00 23.34 H new ATOM 0 HA LEU A 50 4.176 -9.949 9.197 1.00 23.44 H new ATOM 0 HB2 LEU A 50 6.129 -10.478 6.936 1.00 63.41 H new ATOM 0 HB3 LEU A 50 4.663 -9.529 6.783 1.00 63.41 H new ATOM 0 HG LEU A 50 7.055 -8.884 8.530 1.00 44.13 H new ATOM 0 HD11 LEU A 50 7.291 -6.949 7.027 1.00 11.32 H new ATOM 0 HD12 LEU A 50 7.423 -8.490 6.146 1.00 11.32 H new ATOM 0 HD13 LEU A 50 5.920 -7.541 6.058 1.00 11.32 H new ATOM 0 HD21 LEU A 50 5.883 -6.776 9.041 1.00 25.15 H new ATOM 0 HD22 LEU A 50 4.456 -7.359 8.151 1.00 25.15 H new ATOM 0 HD23 LEU A 50 4.982 -8.193 9.632 1.00 25.15 H new ATOM 749 N THR A 51 4.554 -12.924 7.914 1.00 12.22 N ATOM 750 CA THR A 51 3.831 -14.095 7.433 1.00 34.01 C ATOM 751 C THR A 51 2.702 -14.449 8.401 1.00 4.20 C ATOM 752 O THR A 51 1.567 -14.685 7.993 1.00 15.21 O ATOM 753 CB THR A 51 4.777 -15.307 7.274 1.00 23.24 C ATOM 754 OG1 THR A 51 5.863 -14.973 6.397 1.00 74.20 O ATOM 755 CG2 THR A 51 4.036 -16.519 6.721 1.00 31.32 C ATOM 0 H THR A 51 5.538 -13.094 8.123 1.00 12.22 H new ATOM 0 HA THR A 51 3.412 -13.854 6.456 1.00 34.01 H new ATOM 0 HB THR A 51 5.164 -15.558 8.261 1.00 23.24 H new ATOM 0 HG1 THR A 51 6.434 -14.300 6.824 1.00 74.20 H new ATOM 0 HG21 THR A 51 4.729 -17.355 6.621 1.00 31.32 H new ATOM 0 HG22 THR A 51 3.231 -16.795 7.402 1.00 31.32 H new ATOM 0 HG23 THR A 51 3.618 -16.275 5.744 1.00 31.32 H new ATOM 763 N ARG A 52 3.015 -14.442 9.687 1.00 2.30 N ATOM 764 CA ARG A 52 2.035 -14.751 10.727 1.00 71.23 C ATOM 765 C ARG A 52 0.912 -13.710 10.747 1.00 35.32 C ATOM 766 O ARG A 52 -0.229 -14.015 11.095 1.00 11.45 O ATOM 767 CB ARG A 52 2.729 -14.791 12.091 1.00 42.33 C ATOM 768 CG ARG A 52 3.903 -15.757 12.155 1.00 52.13 C ATOM 769 CD ARG A 52 3.507 -17.133 12.670 1.00 64.51 C ATOM 770 NE ARG A 52 2.416 -17.750 11.909 1.00 0.24 N ATOM 771 CZ ARG A 52 2.598 -18.592 10.886 1.00 62.34 C ATOM 772 NH1 ARG A 52 3.807 -18.775 10.372 1.00 62.51 N ATOM 773 NH2 ARG A 52 1.558 -19.227 10.358 1.00 63.41 N ATOM 0 H ARG A 52 3.946 -14.224 10.042 1.00 2.30 H new ATOM 0 HA ARG A 52 1.596 -15.725 10.510 1.00 71.23 H new ATOM 0 HB2 ARG A 52 3.081 -13.789 12.339 1.00 42.33 H new ATOM 0 HB3 ARG A 52 1.999 -15.070 12.851 1.00 42.33 H new ATOM 0 HG2 ARG A 52 4.339 -15.858 11.161 1.00 52.13 H new ATOM 0 HG3 ARG A 52 4.675 -15.341 12.802 1.00 52.13 H new ATOM 0 HD2 ARG A 52 4.377 -17.788 12.639 1.00 64.51 H new ATOM 0 HD3 ARG A 52 3.209 -17.049 13.715 1.00 64.51 H new ATOM 0 HE ARG A 52 1.458 -17.523 12.177 1.00 0.24 H new ATOM 0 HH11 ARG A 52 4.606 -18.272 10.757 1.00 62.51 H new ATOM 0 HH12 ARG A 52 3.937 -19.419 9.592 1.00 62.51 H new ATOM 0 HH21 ARG A 52 0.622 -19.072 10.733 1.00 63.41 H new ATOM 0 HH22 ARG A 52 1.695 -19.869 9.578 1.00 63.41 H new ATOM 784 N LEU A 53 1.253 -12.482 10.381 1.00 61.34 N ATOM 785 CA LEU A 53 0.315 -11.366 10.456 1.00 75.11 C ATOM 786 C LEU A 53 -0.568 -11.238 9.209 1.00 12.21 C ATOM 787 O LEU A 53 -1.775 -11.012 9.321 1.00 14.02 O ATOM 788 CB LEU A 53 1.082 -10.056 10.657 1.00 42.43 C ATOM 789 CG LEU A 53 1.760 -9.884 12.017 1.00 14.20 C ATOM 790 CD1 LEU A 53 2.708 -8.697 11.987 1.00 33.20 C ATOM 791 CD2 LEU A 53 0.717 -9.695 13.101 1.00 52.33 C ATOM 0 H LEU A 53 2.176 -12.231 10.027 1.00 61.34 H new ATOM 0 HA LEU A 53 -0.341 -11.568 11.303 1.00 75.11 H new ATOM 0 HB2 LEU A 53 1.843 -9.980 9.880 1.00 42.43 H new ATOM 0 HB3 LEU A 53 0.391 -9.226 10.509 1.00 42.43 H new ATOM 0 HG LEU A 53 2.335 -10.783 12.237 1.00 14.20 H new ATOM 0 HD11 LEU A 53 3.184 -8.586 12.962 1.00 33.20 H new ATOM 0 HD12 LEU A 53 3.472 -8.861 11.227 1.00 33.20 H new ATOM 0 HD13 LEU A 53 2.150 -7.791 11.751 1.00 33.20 H new ATOM 0 HD21 LEU A 53 1.212 -9.574 14.065 1.00 52.33 H new ATOM 0 HD22 LEU A 53 0.123 -8.807 12.884 1.00 52.33 H new ATOM 0 HD23 LEU A 53 0.065 -10.568 13.135 1.00 52.33 H new ATOM 802 N TYR A 54 0.026 -11.365 8.027 1.00 3.43 N ATOM 803 CA TYR A 54 -0.669 -10.991 6.798 1.00 54.22 C ATOM 804 C TYR A 54 -0.899 -12.159 5.839 1.00 73.53 C ATOM 805 O TYR A 54 -1.528 -11.971 4.798 1.00 1.00 O ATOM 806 CB TYR A 54 0.113 -9.890 6.073 1.00 14.14 C ATOM 807 CG TYR A 54 0.269 -8.620 6.878 1.00 41.12 C ATOM 808 CD1 TYR A 54 -0.680 -7.610 6.811 1.00 41.14 C ATOM 809 CD2 TYR A 54 1.369 -8.431 7.705 1.00 53.32 C ATOM 810 CE1 TYR A 54 -0.543 -6.449 7.547 1.00 33.11 C ATOM 811 CE2 TYR A 54 1.516 -7.272 8.446 1.00 23.11 C ATOM 812 CZ TYR A 54 0.556 -6.286 8.363 1.00 53.40 C ATOM 813 OH TYR A 54 0.696 -5.131 9.096 1.00 42.24 O ATOM 0 H TYR A 54 0.973 -11.719 7.893 1.00 3.43 H new ATOM 0 HA TYR A 54 -1.653 -10.635 7.103 1.00 54.22 H new ATOM 0 HB2 TYR A 54 1.102 -10.269 5.815 1.00 14.14 H new ATOM 0 HB3 TYR A 54 -0.392 -9.655 5.136 1.00 14.14 H new ATOM 0 HD1 TYR A 54 -1.542 -7.734 6.172 1.00 41.14 H new ATOM 0 HD2 TYR A 54 2.122 -9.202 7.771 1.00 53.32 H new ATOM 0 HE1 TYR A 54 -1.292 -5.674 7.483 1.00 33.11 H new ATOM 0 HE2 TYR A 54 2.377 -7.141 9.085 1.00 23.11 H new ATOM 0 HH TYR A 54 1.523 -5.174 9.620 1.00 42.24 H new ATOM 822 N ASN A 55 -0.416 -13.357 6.157 1.00 34.10 N ATOM 823 CA ASN A 55 -0.586 -14.473 5.225 1.00 45.01 C ATOM 824 C ASN A 55 -2.003 -15.037 5.291 1.00 1.33 C ATOM 825 O ASN A 55 -2.272 -16.007 6.003 1.00 34.22 O ATOM 826 CB ASN A 55 0.433 -15.587 5.453 1.00 63.13 C ATOM 827 CG ASN A 55 0.412 -16.598 4.325 1.00 34.44 C ATOM 828 OD1 ASN A 55 0.119 -16.255 3.179 1.00 2.21 O ATOM 829 ND2 ASN A 55 0.736 -17.843 4.634 1.00 71.44 N ATOM 0 H ASN A 55 0.080 -13.579 7.021 1.00 34.10 H new ATOM 0 HA ASN A 55 -0.412 -14.068 4.228 1.00 45.01 H new ATOM 0 HB2 ASN A 55 1.431 -15.157 5.539 1.00 63.13 H new ATOM 0 HB3 ASN A 55 0.220 -16.089 6.397 1.00 63.13 H new ATOM 0 HD21 ASN A 55 0.750 -18.561 3.910 1.00 71.44 H new ATOM 0 HD22 ASN A 55 0.972 -18.085 5.596 1.00 71.44 H new ATOM 835 N ASP A 56 -2.896 -14.373 4.565 1.00 41.15 N ATOM 836 CA ASP A 56 -4.300 -14.766 4.424 1.00 72.10 C ATOM 837 C ASP A 56 -5.037 -13.661 3.699 1.00 52.21 C ATOM 838 O ASP A 56 -5.758 -13.888 2.732 1.00 64.03 O ATOM 839 CB ASP A 56 -4.971 -15.002 5.782 1.00 62.23 C ATOM 840 CG ASP A 56 -6.452 -15.300 5.642 1.00 33.31 C ATOM 841 OD1 ASP A 56 -6.799 -16.459 5.335 1.00 40.12 O ATOM 842 OD2 ASP A 56 -7.270 -14.374 5.823 1.00 50.32 O ATOM 0 H ASP A 56 -2.662 -13.527 4.045 1.00 41.15 H new ATOM 0 HA ASP A 56 -4.337 -15.702 3.867 1.00 72.10 H new ATOM 0 HB2 ASP A 56 -4.481 -15.833 6.289 1.00 62.23 H new ATOM 0 HB3 ASP A 56 -4.836 -14.122 6.410 1.00 62.23 H new ATOM 846 N ARG A 57 -4.813 -12.452 4.176 1.00 11.03 N ATOM 847 CA ARG A 57 -5.446 -11.265 3.642 1.00 44.31 C ATOM 848 C ARG A 57 -4.418 -10.430 2.897 1.00 10.41 C ATOM 849 O ARG A 57 -4.260 -9.245 3.178 1.00 31.21 O ATOM 850 CB ARG A 57 -6.039 -10.448 4.792 1.00 12.41 C ATOM 851 CG ARG A 57 -5.045 -10.209 5.922 1.00 71.12 C ATOM 852 CD ARG A 57 -5.607 -9.293 6.995 1.00 12.42 C ATOM 853 NE ARG A 57 -4.665 -9.106 8.100 1.00 71.13 N ATOM 854 CZ ARG A 57 -4.523 -7.963 8.773 1.00 61.01 C ATOM 855 NH1 ARG A 57 -5.228 -6.885 8.430 1.00 60.41 N ATOM 856 NH2 ARG A 57 -3.666 -7.900 9.787 1.00 42.10 N ATOM 0 H ARG A 57 -4.179 -12.266 4.953 1.00 11.03 H new ATOM 0 HA ARG A 57 -6.240 -11.553 2.953 1.00 44.31 H new ATOM 0 HB2 ARG A 57 -6.384 -9.488 4.409 1.00 12.41 H new ATOM 0 HB3 ARG A 57 -6.913 -10.966 5.187 1.00 12.41 H new ATOM 0 HG2 ARG A 57 -4.769 -11.164 6.369 1.00 71.12 H new ATOM 0 HG3 ARG A 57 -4.133 -9.773 5.515 1.00 71.12 H new ATOM 0 HD2 ARG A 57 -5.849 -8.325 6.556 1.00 12.42 H new ATOM 0 HD3 ARG A 57 -6.538 -9.711 7.378 1.00 12.42 H new ATOM 0 HE ARG A 57 -4.082 -9.898 8.372 1.00 71.13 H new ATOM 0 HH11 ARG A 57 -5.882 -6.931 7.648 1.00 60.41 H new ATOM 0 HH12 ARG A 57 -5.114 -6.015 8.949 1.00 60.41 H new ATOM 0 HH21 ARG A 57 -3.122 -8.723 10.046 1.00 42.10 H new ATOM 0 HH22 ARG A 57 -3.553 -7.029 10.306 1.00 42.10 H new ATOM 867 N VAL A 58 -3.727 -11.047 1.943 1.00 4.32 N ATOM 868 CA VAL A 58 -2.597 -10.408 1.293 1.00 50.44 C ATOM 869 C VAL A 58 -3.035 -9.309 0.315 1.00 34.32 C ATOM 870 O VAL A 58 -4.082 -8.696 0.530 1.00 41.34 O ATOM 871 CB VAL A 58 -1.633 -11.422 0.642 1.00 42.21 C ATOM 872 CG1 VAL A 58 -0.560 -11.824 1.627 1.00 13.43 C ATOM 873 CG2 VAL A 58 -2.371 -12.639 0.115 1.00 35.11 C ATOM 0 H VAL A 58 -3.933 -11.988 1.606 1.00 4.32 H new ATOM 0 HA VAL A 58 -2.030 -9.915 2.083 1.00 50.44 H new ATOM 0 HB VAL A 58 -1.161 -10.938 -0.213 1.00 42.21 H new ATOM 0 HG11 VAL A 58 0.115 -12.540 1.158 1.00 13.43 H new ATOM 0 HG12 VAL A 58 0.002 -10.942 1.933 1.00 13.43 H new ATOM 0 HG13 VAL A 58 -1.022 -12.281 2.502 1.00 13.43 H new ATOM 0 HG21 VAL A 58 -1.658 -13.330 -0.336 1.00 35.11 H new ATOM 0 HG22 VAL A 58 -2.887 -13.135 0.937 1.00 35.11 H new ATOM 0 HG23 VAL A 58 -3.098 -12.327 -0.635 1.00 35.11 H new ATOM 883 N PRO A 59 -2.328 -9.112 -0.826 1.00 64.45 N ATOM 884 CA PRO A 59 -2.012 -7.799 -1.326 1.00 32.20 C ATOM 885 C PRO A 59 -2.646 -6.664 -0.519 1.00 64.20 C ATOM 886 O PRO A 59 -3.649 -6.075 -0.923 1.00 54.21 O ATOM 887 CB PRO A 59 -2.517 -7.874 -2.758 1.00 24.23 C ATOM 888 CG PRO A 59 -2.306 -9.310 -3.151 1.00 60.41 C ATOM 889 CD PRO A 59 -2.004 -10.082 -1.878 1.00 32.25 C ATOM 0 HA PRO A 59 -0.952 -7.558 -1.252 1.00 32.20 H new ATOM 0 HB2 PRO A 59 -3.568 -7.594 -2.824 1.00 24.23 H new ATOM 0 HB3 PRO A 59 -1.965 -7.198 -3.411 1.00 24.23 H new ATOM 0 HG2 PRO A 59 -3.193 -9.709 -3.642 1.00 60.41 H new ATOM 0 HG3 PRO A 59 -1.482 -9.398 -3.860 1.00 60.41 H new ATOM 0 HD2 PRO A 59 -2.611 -10.984 -1.798 1.00 32.25 H new ATOM 0 HD3 PRO A 59 -0.961 -10.395 -1.832 1.00 32.25 H new ATOM 894 N VAL A 60 -2.046 -6.389 0.633 1.00 53.21 N ATOM 895 CA VAL A 60 -2.614 -5.467 1.606 1.00 44.14 C ATOM 896 C VAL A 60 -2.088 -4.060 1.375 1.00 4.11 C ATOM 897 O VAL A 60 -0.878 -3.853 1.298 1.00 74.22 O ATOM 898 CB VAL A 60 -2.271 -5.880 3.058 1.00 4.12 C ATOM 899 CG1 VAL A 60 -3.434 -5.585 3.991 1.00 35.21 C ATOM 900 CG2 VAL A 60 -1.871 -7.347 3.140 1.00 60.11 C ATOM 0 H VAL A 60 -1.156 -6.798 0.917 1.00 53.21 H new ATOM 0 HA VAL A 60 -3.695 -5.496 1.473 1.00 44.14 H new ATOM 0 HB VAL A 60 -1.415 -5.286 3.378 1.00 4.12 H new ATOM 0 HG11 VAL A 60 -3.171 -5.883 5.006 1.00 35.21 H new ATOM 0 HG12 VAL A 60 -3.654 -4.518 3.972 1.00 35.21 H new ATOM 0 HG13 VAL A 60 -4.312 -6.142 3.665 1.00 35.21 H new ATOM 0 HG21 VAL A 60 -1.637 -7.603 4.173 1.00 60.11 H new ATOM 0 HG22 VAL A 60 -2.695 -7.969 2.790 1.00 60.11 H new ATOM 0 HG23 VAL A 60 -0.995 -7.521 2.516 1.00 60.11 H new ATOM 910 N LEU A 61 -2.988 -3.098 1.269 1.00 43.44 N ATOM 911 CA LEU A 61 -2.593 -1.716 1.077 1.00 72.12 C ATOM 912 C LEU A 61 -2.711 -0.966 2.403 1.00 75.21 C ATOM 913 O LEU A 61 -3.813 -0.705 2.897 1.00 12.51 O ATOM 914 CB LEU A 61 -3.447 -1.069 -0.022 1.00 70.10 C ATOM 915 CG LEU A 61 -2.884 0.215 -0.647 1.00 54.30 C ATOM 916 CD1 LEU A 61 -3.187 1.419 0.224 1.00 35.21 C ATOM 917 CD2 LEU A 61 -1.382 0.087 -0.871 1.00 3.25 C ATOM 0 H LEU A 61 -3.996 -3.249 1.313 1.00 43.44 H new ATOM 0 HA LEU A 61 -1.554 -1.669 0.751 1.00 72.12 H new ATOM 0 HB2 LEU A 61 -3.596 -1.801 -0.816 1.00 70.10 H new ATOM 0 HB3 LEU A 61 -4.430 -0.846 0.394 1.00 70.10 H new ATOM 0 HG LEU A 61 -3.369 0.361 -1.612 1.00 54.30 H new ATOM 0 HD11 LEU A 61 -2.778 2.316 -0.240 1.00 35.21 H new ATOM 0 HD12 LEU A 61 -4.266 1.527 0.333 1.00 35.21 H new ATOM 0 HD13 LEU A 61 -2.735 1.280 1.206 1.00 35.21 H new ATOM 0 HD21 LEU A 61 -1.001 1.007 -1.315 1.00 3.25 H new ATOM 0 HD22 LEU A 61 -0.885 -0.089 0.083 1.00 3.25 H new ATOM 0 HD23 LEU A 61 -1.184 -0.749 -1.542 1.00 3.25 H new ATOM 928 N PHE A 62 -1.562 -0.649 2.979 1.00 4.11 N ATOM 929 CA PHE A 62 -1.488 -0.043 4.301 1.00 12.44 C ATOM 930 C PHE A 62 -1.277 1.468 4.207 1.00 4.24 C ATOM 931 O PHE A 62 -0.532 1.950 3.349 1.00 64.52 O ATOM 932 CB PHE A 62 -0.352 -0.698 5.095 1.00 50.13 C ATOM 933 CG PHE A 62 -0.083 -0.053 6.425 1.00 31.14 C ATOM 934 CD1 PHE A 62 -0.935 -0.256 7.498 1.00 24.03 C ATOM 935 CD2 PHE A 62 1.024 0.758 6.598 1.00 35.52 C ATOM 936 CE1 PHE A 62 -0.687 0.341 8.717 1.00 52.20 C ATOM 937 CE2 PHE A 62 1.276 1.360 7.814 1.00 73.52 C ATOM 938 CZ PHE A 62 0.420 1.151 8.874 1.00 31.12 C ATOM 0 H PHE A 62 -0.653 -0.804 2.543 1.00 4.11 H new ATOM 0 HA PHE A 62 -2.434 -0.209 4.817 1.00 12.44 H new ATOM 0 HB2 PHE A 62 -0.594 -1.749 5.255 1.00 50.13 H new ATOM 0 HB3 PHE A 62 0.559 -0.668 4.498 1.00 50.13 H new ATOM 0 HD1 PHE A 62 -1.803 -0.888 7.379 1.00 24.03 H new ATOM 0 HD2 PHE A 62 1.699 0.922 5.771 1.00 35.52 H new ATOM 0 HE1 PHE A 62 -1.358 0.175 9.547 1.00 52.20 H new ATOM 0 HE2 PHE A 62 2.142 1.994 7.935 1.00 73.52 H new ATOM 0 HZ PHE A 62 0.615 1.621 9.827 1.00 31.12 H new ATOM 947 N ALA A 63 -1.926 2.201 5.104 1.00 0.34 N ATOM 948 CA ALA A 63 -1.847 3.654 5.132 1.00 73.22 C ATOM 949 C ALA A 63 -0.729 4.125 6.067 1.00 50.44 C ATOM 950 O ALA A 63 -0.824 3.965 7.285 1.00 24.01 O ATOM 951 CB ALA A 63 -3.186 4.223 5.578 1.00 62.22 C ATOM 0 H ALA A 63 -2.521 1.804 5.831 1.00 0.34 H new ATOM 0 HA ALA A 63 -1.615 4.013 4.129 1.00 73.22 H new ATOM 0 HB1 ALA A 63 -3.130 5.311 5.600 1.00 62.22 H new ATOM 0 HB2 ALA A 63 -3.964 3.914 4.879 1.00 62.22 H new ATOM 0 HB3 ALA A 63 -3.425 3.852 6.575 1.00 62.22 H new ATOM 957 N VAL A 64 0.327 4.701 5.499 1.00 34.20 N ATOM 958 CA VAL A 64 1.455 5.181 6.296 1.00 41.55 C ATOM 959 C VAL A 64 1.360 6.687 6.518 1.00 42.43 C ATOM 960 O VAL A 64 1.873 7.490 5.733 1.00 44.32 O ATOM 961 CB VAL A 64 2.817 4.845 5.654 1.00 43.20 C ATOM 962 CG1 VAL A 64 3.955 5.184 6.606 1.00 5.54 C ATOM 963 CG2 VAL A 64 2.875 3.384 5.250 1.00 43.30 C ATOM 0 H VAL A 64 0.426 4.847 4.494 1.00 34.20 H new ATOM 0 HA VAL A 64 1.397 4.663 7.253 1.00 41.55 H new ATOM 0 HB VAL A 64 2.929 5.451 4.755 1.00 43.20 H new ATOM 0 HG11 VAL A 64 4.908 4.940 6.136 1.00 5.54 H new ATOM 0 HG12 VAL A 64 3.928 6.248 6.841 1.00 5.54 H new ATOM 0 HG13 VAL A 64 3.845 4.607 7.524 1.00 5.54 H new ATOM 0 HG21 VAL A 64 3.844 3.169 4.800 1.00 43.30 H new ATOM 0 HG22 VAL A 64 2.737 2.757 6.131 1.00 43.30 H new ATOM 0 HG23 VAL A 64 2.085 3.174 4.529 1.00 43.30 H new ATOM 973 N ASN A 65 0.667 7.036 7.584 1.00 23.13 N ATOM 974 CA ASN A 65 0.469 8.414 8.022 1.00 3.25 C ATOM 975 C ASN A 65 -0.475 8.346 9.203 1.00 1.15 C ATOM 976 O ASN A 65 -0.278 8.988 10.231 1.00 73.31 O ATOM 977 CB ASN A 65 -0.127 9.281 6.903 1.00 42.34 C ATOM 978 CG ASN A 65 -0.162 10.764 7.238 1.00 35.42 C ATOM 979 OD1 ASN A 65 -1.046 11.489 6.786 1.00 62.22 O ATOM 980 ND2 ASN A 65 0.805 11.230 8.017 1.00 23.42 N ATOM 0 H ASN A 65 0.211 6.354 8.190 1.00 23.13 H new ATOM 0 HA ASN A 65 1.419 8.875 8.291 1.00 3.25 H new ATOM 0 HB2 ASN A 65 0.455 9.136 5.993 1.00 42.34 H new ATOM 0 HB3 ASN A 65 -1.141 8.940 6.691 1.00 42.34 H new ATOM 0 HD21 ASN A 65 0.832 12.220 8.260 1.00 23.42 H new ATOM 0 HD22 ASN A 65 1.522 10.598 8.374 1.00 23.42 H new ATOM 986 N GLU A 66 -1.500 7.532 9.018 1.00 50.30 N ATOM 987 CA GLU A 66 -2.325 7.054 10.108 1.00 10.41 C ATOM 988 C GLU A 66 -2.339 5.537 10.038 1.00 33.03 C ATOM 989 O GLU A 66 -2.969 4.973 9.147 1.00 55.54 O ATOM 990 CB GLU A 66 -3.753 7.592 10.011 1.00 20.52 C ATOM 991 CG GLU A 66 -4.610 7.240 11.221 1.00 60.20 C ATOM 992 CD GLU A 66 -6.091 7.433 10.976 1.00 3.24 C ATOM 993 OE1 GLU A 66 -6.455 8.124 10.002 1.00 34.40 O ATOM 994 OE2 GLU A 66 -6.902 6.865 11.737 1.00 20.34 O ATOM 0 H GLU A 66 -1.783 7.184 8.102 1.00 50.30 H new ATOM 0 HA GLU A 66 -1.915 7.402 11.056 1.00 10.41 H new ATOM 0 HB2 GLU A 66 -3.719 8.676 9.900 1.00 20.52 H new ATOM 0 HB3 GLU A 66 -4.224 7.194 9.112 1.00 20.52 H new ATOM 0 HG2 GLU A 66 -4.426 6.202 11.499 1.00 60.20 H new ATOM 0 HG3 GLU A 66 -4.304 7.856 12.067 1.00 60.20 H new ATOM 999 N ASP A 67 -1.596 4.907 10.944 1.00 51.31 N ATOM 1000 CA ASP A 67 -1.399 3.462 10.974 1.00 2.44 C ATOM 1001 C ASP A 67 -2.726 2.710 10.943 1.00 15.44 C ATOM 1002 O ASP A 67 -3.357 2.472 11.972 1.00 54.24 O ATOM 1003 CB ASP A 67 -0.598 3.076 12.222 1.00 33.21 C ATOM 1004 CG ASP A 67 -0.111 1.637 12.207 1.00 1.45 C ATOM 1005 OD1 ASP A 67 -0.904 0.728 12.514 1.00 11.10 O ATOM 1006 OD2 ASP A 67 1.086 1.414 11.916 1.00 54.23 O ATOM 0 H ASP A 67 -1.105 5.397 11.692 1.00 51.31 H new ATOM 0 HA ASP A 67 -0.842 3.178 10.081 1.00 2.44 H new ATOM 0 HB2 ASP A 67 0.261 3.741 12.313 1.00 33.21 H new ATOM 0 HB3 ASP A 67 -1.218 3.233 13.105 1.00 33.21 H new ATOM 1010 N LYS A 68 -3.161 2.403 9.736 1.00 11.23 N ATOM 1011 CA LYS A 68 -4.366 1.616 9.507 1.00 42.03 C ATOM 1012 C LYS A 68 -4.353 1.037 8.100 1.00 51.43 C ATOM 1013 O LYS A 68 -3.671 1.556 7.214 1.00 12.15 O ATOM 1014 CB LYS A 68 -5.622 2.477 9.697 1.00 64.31 C ATOM 1015 CG LYS A 68 -5.767 3.596 8.673 1.00 1.32 C ATOM 1016 CD LYS A 68 -7.102 4.308 8.825 1.00 33.40 C ATOM 1017 CE LYS A 68 -7.347 5.336 7.730 1.00 32.11 C ATOM 1018 NZ LYS A 68 -6.439 6.506 7.844 1.00 14.41 N ATOM 0 H LYS A 68 -2.689 2.692 8.880 1.00 11.23 H new ATOM 0 HA LYS A 68 -4.385 0.803 10.233 1.00 42.03 H new ATOM 0 HB2 LYS A 68 -6.501 1.835 9.645 1.00 64.31 H new ATOM 0 HB3 LYS A 68 -5.604 2.913 10.696 1.00 64.31 H new ATOM 0 HG2 LYS A 68 -4.954 4.312 8.794 1.00 1.32 H new ATOM 0 HG3 LYS A 68 -5.683 3.185 7.667 1.00 1.32 H new ATOM 0 HD2 LYS A 68 -7.905 3.572 8.813 1.00 33.40 H new ATOM 0 HD3 LYS A 68 -7.137 4.802 9.796 1.00 33.40 H new ATOM 0 HE2 LYS A 68 -7.210 4.866 6.756 1.00 32.11 H new ATOM 0 HE3 LYS A 68 -8.382 5.675 7.778 1.00 32.11 H new ATOM 0 HZ1 LYS A 68 -6.497 7.076 6.976 1.00 14.41 H new ATOM 0 HZ2 LYS A 68 -6.721 7.086 8.659 1.00 14.41 H new ATOM 0 HZ3 LYS A 68 -5.462 6.175 7.976 1.00 14.41 H new ATOM 1028 N GLU A 69 -5.087 -0.044 7.897 1.00 63.22 N ATOM 1029 CA GLU A 69 -5.221 -0.633 6.575 1.00 74.15 C ATOM 1030 C GLU A 69 -6.414 -0.011 5.855 1.00 62.14 C ATOM 1031 O GLU A 69 -7.442 0.264 6.475 1.00 40.12 O ATOM 1032 CB GLU A 69 -5.406 -2.152 6.671 1.00 3.51 C ATOM 1033 CG GLU A 69 -4.457 -2.838 7.643 1.00 20.23 C ATOM 1034 CD GLU A 69 -5.085 -3.077 9.006 1.00 64.41 C ATOM 1035 OE1 GLU A 69 -5.533 -2.103 9.648 1.00 22.22 O ATOM 1036 OE2 GLU A 69 -5.157 -4.254 9.431 1.00 63.14 O ATOM 0 H GLU A 69 -5.600 -0.532 8.631 1.00 63.22 H new ATOM 0 HA GLU A 69 -4.309 -0.433 6.012 1.00 74.15 H new ATOM 0 HB2 GLU A 69 -6.432 -2.363 6.973 1.00 3.51 H new ATOM 0 HB3 GLU A 69 -5.270 -2.586 5.681 1.00 3.51 H new ATOM 0 HG2 GLU A 69 -4.139 -3.792 7.222 1.00 20.23 H new ATOM 0 HG3 GLU A 69 -3.562 -2.228 7.762 1.00 20.23 H new ATOM 1041 N LEU A 70 -6.274 0.232 4.557 1.00 34.52 N ATOM 1042 CA LEU A 70 -7.374 0.778 3.774 1.00 71.01 C ATOM 1043 C LEU A 70 -8.155 -0.347 3.111 1.00 54.35 C ATOM 1044 O LEU A 70 -9.364 -0.472 3.300 1.00 71.54 O ATOM 1045 CB LEU A 70 -6.866 1.762 2.713 1.00 5.10 C ATOM 1046 CG LEU A 70 -6.103 2.969 3.251 1.00 32.31 C ATOM 1047 CD1 LEU A 70 -5.736 3.897 2.111 1.00 12.35 C ATOM 1048 CD2 LEU A 70 -6.920 3.713 4.296 1.00 72.45 C ATOM 0 H LEU A 70 -5.418 0.061 4.029 1.00 34.52 H new ATOM 0 HA LEU A 70 -8.033 1.321 4.452 1.00 71.01 H new ATOM 0 HB2 LEU A 70 -6.218 1.222 2.022 1.00 5.10 H new ATOM 0 HB3 LEU A 70 -7.719 2.120 2.136 1.00 5.10 H new ATOM 0 HG LEU A 70 -5.191 2.613 3.730 1.00 32.31 H new ATOM 0 HD11 LEU A 70 -5.192 4.756 2.502 1.00 12.35 H new ATOM 0 HD12 LEU A 70 -5.108 3.365 1.396 1.00 12.35 H new ATOM 0 HD13 LEU A 70 -6.644 4.238 1.613 1.00 12.35 H new ATOM 0 HD21 LEU A 70 -6.351 4.568 4.661 1.00 72.45 H new ATOM 0 HD22 LEU A 70 -7.852 4.061 3.850 1.00 72.45 H new ATOM 0 HD23 LEU A 70 -7.144 3.044 5.127 1.00 72.45 H new ATOM 1059 N CYS A 71 -7.453 -1.171 2.349 1.00 44.40 N ATOM 1060 CA CYS A 71 -8.078 -2.280 1.650 1.00 31.43 C ATOM 1061 C CYS A 71 -7.028 -3.334 1.306 1.00 21.32 C ATOM 1062 O CYS A 71 -5.837 -3.142 1.564 1.00 10.11 O ATOM 1063 CB CYS A 71 -8.778 -1.777 0.379 1.00 21.54 C ATOM 1064 SG CYS A 71 -9.818 -3.008 -0.447 1.00 52.10 S ATOM 0 H CYS A 71 -6.447 -1.091 2.199 1.00 44.40 H new ATOM 0 HA CYS A 71 -8.828 -2.734 2.297 1.00 31.43 H new ATOM 0 HB2 CYS A 71 -9.393 -0.915 0.636 1.00 21.54 H new ATOM 0 HB3 CYS A 71 -8.021 -1.430 -0.324 1.00 21.54 H new ATOM 0 HG CYS A 71 -10.361 -2.479 -1.503 1.00 52.10 H new ATOM 1069 N HIS A 72 -7.472 -4.451 0.753 1.00 32.11 N ATOM 1070 CA HIS A 72 -6.573 -5.515 0.335 1.00 43.24 C ATOM 1071 C HIS A 72 -7.101 -6.167 -0.936 1.00 52.02 C ATOM 1072 O HIS A 72 -8.304 -6.419 -1.052 1.00 5.22 O ATOM 1073 CB HIS A 72 -6.364 -6.559 1.450 1.00 34.12 C ATOM 1074 CG HIS A 72 -7.618 -7.115 2.059 1.00 14.31 C ATOM 1075 ND1 HIS A 72 -8.076 -8.393 1.819 1.00 30.52 N ATOM 1076 CD2 HIS A 72 -8.490 -6.569 2.941 1.00 13.14 C ATOM 1077 CE1 HIS A 72 -9.171 -8.606 2.525 1.00 42.25 C ATOM 1078 NE2 HIS A 72 -9.446 -7.514 3.216 1.00 23.53 N ATOM 0 H HIS A 72 -8.459 -4.645 0.582 1.00 32.11 H new ATOM 0 HA HIS A 72 -5.597 -5.075 0.128 1.00 43.24 H new ATOM 0 HB2 HIS A 72 -5.780 -7.386 1.045 1.00 34.12 H new ATOM 0 HB3 HIS A 72 -5.767 -6.105 2.241 1.00 34.12 H new ATOM 0 HD2 HIS A 72 -8.441 -5.572 3.353 1.00 13.14 H new ATOM 0 HE1 HIS A 72 -9.746 -9.520 2.536 1.00 42.25 H new ATOM 0 HE2 HIS A 72 -10.237 -7.394 3.848 1.00 23.53 H new ATOM 1085 N TYR A 73 -6.182 -6.418 -1.871 1.00 43.30 N ATOM 1086 CA TYR A 73 -6.498 -6.928 -3.210 1.00 44.40 C ATOM 1087 C TYR A 73 -7.116 -5.843 -4.083 1.00 41.22 C ATOM 1088 O TYR A 73 -7.940 -5.049 -3.625 1.00 53.52 O ATOM 1089 CB TYR A 73 -7.437 -8.136 -3.179 1.00 31.31 C ATOM 1090 CG TYR A 73 -6.846 -9.390 -2.581 1.00 21.04 C ATOM 1091 CD1 TYR A 73 -6.956 -9.663 -1.221 1.00 33.42 C ATOM 1092 CD2 TYR A 73 -6.197 -10.317 -3.388 1.00 31.51 C ATOM 1093 CE1 TYR A 73 -6.429 -10.821 -0.685 1.00 63.13 C ATOM 1094 CE2 TYR A 73 -5.674 -11.479 -2.858 1.00 63.11 C ATOM 1095 CZ TYR A 73 -5.793 -11.726 -1.508 1.00 61.43 C ATOM 1096 OH TYR A 73 -5.278 -12.888 -0.978 1.00 53.24 O ATOM 0 H TYR A 73 -5.184 -6.271 -1.719 1.00 43.30 H new ATOM 0 HA TYR A 73 -5.547 -7.248 -3.636 1.00 44.40 H new ATOM 0 HB2 TYR A 73 -8.330 -7.868 -2.614 1.00 31.31 H new ATOM 0 HB3 TYR A 73 -7.758 -8.354 -4.198 1.00 31.31 H new ATOM 0 HD1 TYR A 73 -7.461 -8.959 -0.576 1.00 33.42 H new ATOM 0 HD2 TYR A 73 -6.100 -10.125 -4.446 1.00 31.51 H new ATOM 0 HE1 TYR A 73 -6.515 -11.017 0.374 1.00 63.13 H new ATOM 0 HE2 TYR A 73 -5.174 -12.191 -3.498 1.00 63.11 H new ATOM 0 HH TYR A 73 -4.863 -13.417 -1.691 1.00 53.24 H new ATOM 1105 N PHE A 74 -6.700 -5.831 -5.345 1.00 34.14 N ATOM 1106 CA PHE A 74 -7.239 -4.925 -6.351 1.00 61.22 C ATOM 1107 C PHE A 74 -6.984 -3.482 -5.946 1.00 61.24 C ATOM 1108 O PHE A 74 -5.925 -3.162 -5.416 1.00 73.51 O ATOM 1109 CB PHE A 74 -8.738 -5.192 -6.566 1.00 51.11 C ATOM 1110 CG PHE A 74 -9.022 -6.579 -7.069 1.00 71.41 C ATOM 1111 CD1 PHE A 74 -8.903 -6.879 -8.414 1.00 45.44 C ATOM 1112 CD2 PHE A 74 -9.391 -7.586 -6.191 1.00 24.32 C ATOM 1113 CE1 PHE A 74 -9.150 -8.158 -8.876 1.00 71.33 C ATOM 1114 CE2 PHE A 74 -9.636 -8.864 -6.647 1.00 31.01 C ATOM 1115 CZ PHE A 74 -9.515 -9.150 -7.993 1.00 34.54 C ATOM 0 H PHE A 74 -5.975 -6.454 -5.700 1.00 34.14 H new ATOM 0 HA PHE A 74 -6.732 -5.103 -7.299 1.00 61.22 H new ATOM 0 HB2 PHE A 74 -9.267 -5.037 -5.626 1.00 51.11 H new ATOM 0 HB3 PHE A 74 -9.132 -4.466 -7.277 1.00 51.11 H new ATOM 0 HD1 PHE A 74 -8.614 -6.106 -9.110 1.00 45.44 H new ATOM 0 HD2 PHE A 74 -9.488 -7.367 -5.138 1.00 24.32 H new ATOM 0 HE1 PHE A 74 -9.057 -8.379 -9.929 1.00 71.33 H new ATOM 0 HE2 PHE A 74 -9.922 -9.640 -5.953 1.00 31.01 H new ATOM 0 HZ PHE A 74 -9.706 -10.150 -8.353 1.00 34.54 H new ATOM 1124 N LEU A 75 -7.932 -2.606 -6.200 1.00 4.53 N ATOM 1125 CA LEU A 75 -7.762 -1.219 -5.840 1.00 4.33 C ATOM 1126 C LEU A 75 -9.111 -0.560 -5.620 1.00 43.31 C ATOM 1127 O LEU A 75 -9.904 -0.414 -6.552 1.00 2.14 O ATOM 1128 CB LEU A 75 -6.974 -0.485 -6.925 1.00 72.40 C ATOM 1129 CG LEU A 75 -6.297 0.799 -6.456 1.00 34.02 C ATOM 1130 CD1 LEU A 75 -5.298 0.485 -5.352 1.00 32.11 C ATOM 1131 CD2 LEU A 75 -5.605 1.494 -7.618 1.00 45.42 C ATOM 0 H LEU A 75 -8.820 -2.828 -6.650 1.00 4.53 H new ATOM 0 HA LEU A 75 -7.200 -1.165 -4.908 1.00 4.33 H new ATOM 0 HB2 LEU A 75 -6.214 -1.158 -7.322 1.00 72.40 H new ATOM 0 HB3 LEU A 75 -7.648 -0.246 -7.747 1.00 72.40 H new ATOM 0 HG LEU A 75 -7.058 1.472 -6.062 1.00 34.02 H new ATOM 0 HD11 LEU A 75 -4.819 1.407 -5.022 1.00 32.11 H new ATOM 0 HD12 LEU A 75 -5.817 0.025 -4.511 1.00 32.11 H new ATOM 0 HD13 LEU A 75 -4.541 -0.202 -5.731 1.00 32.11 H new ATOM 0 HD21 LEU A 75 -5.128 2.408 -7.264 1.00 45.42 H new ATOM 0 HD22 LEU A 75 -4.850 0.831 -8.041 1.00 45.42 H new ATOM 0 HD23 LEU A 75 -6.340 1.742 -8.384 1.00 45.42 H new ATOM 1142 N ASP A 76 -9.364 -0.170 -4.377 1.00 4.51 N ATOM 1143 CA ASP A 76 -10.596 0.519 -4.015 1.00 24.31 C ATOM 1144 C ASP A 76 -10.730 1.805 -4.823 1.00 74.20 C ATOM 1145 O ASP A 76 -11.826 2.165 -5.252 1.00 23.12 O ATOM 1146 CB ASP A 76 -10.600 0.838 -2.516 1.00 43.31 C ATOM 1147 CG ASP A 76 -9.400 1.664 -2.104 1.00 72.23 C ATOM 1148 OD1 ASP A 76 -8.363 1.071 -1.754 1.00 31.43 O ATOM 1149 OD2 ASP A 76 -9.488 2.904 -2.169 1.00 33.14 O ATOM 0 H ASP A 76 -8.726 -0.321 -3.596 1.00 4.51 H new ATOM 0 HA ASP A 76 -11.443 -0.130 -4.239 1.00 24.31 H new ATOM 0 HB2 ASP A 76 -11.514 1.376 -2.263 1.00 43.31 H new ATOM 0 HB3 ASP A 76 -10.611 -0.092 -1.948 1.00 43.31 H new ATOM 1153 N SER A 77 -9.596 2.482 -5.012 1.00 1.10 N ATOM 1154 CA SER A 77 -9.500 3.693 -5.828 1.00 25.10 C ATOM 1155 C SER A 77 -10.146 4.901 -5.141 1.00 60.25 C ATOM 1156 O SER A 77 -9.531 5.964 -5.036 1.00 42.01 O ATOM 1157 CB SER A 77 -10.113 3.463 -7.216 1.00 40.11 C ATOM 1158 OG SER A 77 -9.552 2.310 -7.834 1.00 65.33 O ATOM 0 H SER A 77 -8.708 2.201 -4.597 1.00 1.10 H new ATOM 0 HA SER A 77 -8.441 3.919 -5.949 1.00 25.10 H new ATOM 0 HB2 SER A 77 -11.193 3.343 -7.126 1.00 40.11 H new ATOM 0 HB3 SER A 77 -9.940 4.337 -7.844 1.00 40.11 H new ATOM 0 HG SER A 77 -9.822 1.509 -7.338 1.00 65.33 H new ATOM 1163 N ASP A 78 -11.374 4.739 -4.663 1.00 3.02 N ATOM 1164 CA ASP A 78 -12.111 5.843 -4.059 1.00 64.42 C ATOM 1165 C ASP A 78 -11.661 6.101 -2.625 1.00 11.23 C ATOM 1166 O ASP A 78 -11.525 7.255 -2.217 1.00 45.15 O ATOM 1167 CB ASP A 78 -13.613 5.567 -4.094 1.00 3.50 C ATOM 1168 CG ASP A 78 -14.417 6.686 -3.461 1.00 23.53 C ATOM 1169 OD1 ASP A 78 -14.546 7.761 -4.085 1.00 52.01 O ATOM 1170 OD2 ASP A 78 -14.941 6.493 -2.341 1.00 21.10 O ATOM 0 H ASP A 78 -11.881 3.854 -4.682 1.00 3.02 H new ATOM 0 HA ASP A 78 -11.898 6.737 -4.645 1.00 64.42 H new ATOM 0 HB2 ASP A 78 -13.932 5.433 -5.128 1.00 3.50 H new ATOM 0 HB3 ASP A 78 -13.821 4.633 -3.573 1.00 3.50 H new ATOM 1174 N VAL A 79 -11.411 5.035 -1.872 1.00 52.13 N ATOM 1175 CA VAL A 79 -11.007 5.169 -0.476 1.00 41.35 C ATOM 1176 C VAL A 79 -9.607 5.749 -0.380 1.00 74.25 C ATOM 1177 O VAL A 79 -9.369 6.694 0.376 1.00 4.14 O ATOM 1178 CB VAL A 79 -11.082 3.823 0.274 1.00 13.41 C ATOM 1179 CG1 VAL A 79 -10.434 3.917 1.651 1.00 33.43 C ATOM 1180 CG2 VAL A 79 -12.528 3.386 0.401 1.00 22.04 C ATOM 0 H VAL A 79 -11.480 4.073 -2.202 1.00 52.13 H new ATOM 0 HA VAL A 79 -11.708 5.853 0.002 1.00 41.35 H new ATOM 0 HB VAL A 79 -10.530 3.080 -0.302 1.00 13.41 H new ATOM 0 HG11 VAL A 79 -10.504 2.952 2.153 1.00 33.43 H new ATOM 0 HG12 VAL A 79 -9.385 4.194 1.542 1.00 33.43 H new ATOM 0 HG13 VAL A 79 -10.949 4.673 2.245 1.00 33.43 H new ATOM 0 HG21 VAL A 79 -12.575 2.435 0.931 1.00 22.04 H new ATOM 0 HG22 VAL A 79 -13.088 4.139 0.955 1.00 22.04 H new ATOM 0 HG23 VAL A 79 -12.961 3.269 -0.592 1.00 22.04 H new ATOM 1190 N ILE A 80 -8.687 5.204 -1.157 1.00 53.53 N ATOM 1191 CA ILE A 80 -7.347 5.757 -1.224 1.00 10.34 C ATOM 1192 C ILE A 80 -7.386 7.156 -1.842 1.00 2.35 C ATOM 1193 O ILE A 80 -6.590 8.018 -1.488 1.00 44.03 O ATOM 1194 CB ILE A 80 -6.360 4.858 -2.012 1.00 20.21 C ATOM 1195 CG1 ILE A 80 -4.946 5.418 -1.897 1.00 54.13 C ATOM 1196 CG2 ILE A 80 -6.756 4.735 -3.466 1.00 14.41 C ATOM 1197 CD1 ILE A 80 -4.435 5.405 -0.483 1.00 25.14 C ATOM 0 H ILE A 80 -8.842 4.386 -1.746 1.00 53.53 H new ATOM 0 HA ILE A 80 -6.978 5.812 -0.200 1.00 10.34 H new ATOM 0 HB ILE A 80 -6.393 3.860 -1.576 1.00 20.21 H new ATOM 0 HG12 ILE A 80 -4.275 4.835 -2.528 1.00 54.13 H new ATOM 0 HG13 ILE A 80 -4.931 6.440 -2.276 1.00 54.13 H new ATOM 0 HG21 ILE A 80 -6.040 4.097 -3.985 1.00 14.41 H new ATOM 0 HG22 ILE A 80 -7.751 4.296 -3.536 1.00 14.41 H new ATOM 0 HG23 ILE A 80 -6.762 5.723 -3.926 1.00 14.41 H new ATOM 0 HD11 ILE A 80 -3.425 5.814 -0.457 1.00 25.14 H new ATOM 0 HD12 ILE A 80 -5.088 6.011 0.145 1.00 25.14 H new ATOM 0 HD13 ILE A 80 -4.421 4.381 -0.110 1.00 25.14 H new ATOM 1208 N GLY A 81 -8.338 7.383 -2.740 1.00 1.45 N ATOM 1209 CA GLY A 81 -8.508 8.702 -3.326 1.00 41.45 C ATOM 1210 C GLY A 81 -8.943 9.720 -2.292 1.00 64.33 C ATOM 1211 O GLY A 81 -8.642 10.906 -2.406 1.00 2.52 O ATOM 0 H GLY A 81 -8.996 6.678 -3.073 1.00 1.45 H new ATOM 0 HA2 GLY A 81 -7.571 9.022 -3.781 1.00 41.45 H new ATOM 0 HA3 GLY A 81 -9.249 8.654 -4.124 1.00 41.45 H new ATOM 1215 N ALA A 82 -9.653 9.241 -1.279 1.00 52.02 N ATOM 1216 CA ALA A 82 -10.079 10.079 -0.170 1.00 72.34 C ATOM 1217 C ALA A 82 -8.936 10.258 0.828 1.00 50.31 C ATOM 1218 O ALA A 82 -8.719 11.346 1.363 1.00 42.45 O ATOM 1219 CB ALA A 82 -11.297 9.465 0.512 1.00 12.51 C ATOM 0 H ALA A 82 -9.947 8.267 -1.204 1.00 52.02 H new ATOM 0 HA ALA A 82 -10.355 11.061 -0.555 1.00 72.34 H new ATOM 0 HB1 ALA A 82 -11.608 10.100 1.341 1.00 12.51 H new ATOM 0 HB2 ALA A 82 -12.112 9.381 -0.206 1.00 12.51 H new ATOM 0 HB3 ALA A 82 -11.042 8.475 0.889 1.00 12.51 H new ATOM 1225 N TYR A 83 -8.198 9.179 1.053 1.00 43.11 N ATOM 1226 CA TYR A 83 -7.081 9.183 1.990 1.00 55.34 C ATOM 1227 C TYR A 83 -5.895 9.973 1.443 1.00 4.24 C ATOM 1228 O TYR A 83 -5.136 10.577 2.201 1.00 1.32 O ATOM 1229 CB TYR A 83 -6.661 7.744 2.297 1.00 34.32 C ATOM 1230 CG TYR A 83 -5.409 7.637 3.137 1.00 21.21 C ATOM 1231 CD1 TYR A 83 -5.456 7.797 4.515 1.00 74.54 C ATOM 1232 CD2 TYR A 83 -4.179 7.367 2.547 1.00 2.22 C ATOM 1233 CE1 TYR A 83 -4.313 7.694 5.282 1.00 65.43 C ATOM 1234 CE2 TYR A 83 -3.034 7.264 3.307 1.00 13.24 C ATOM 1235 CZ TYR A 83 -3.107 7.427 4.673 1.00 75.42 C ATOM 1236 OH TYR A 83 -1.969 7.313 5.437 1.00 23.12 O ATOM 0 H TYR A 83 -8.355 8.281 0.595 1.00 43.11 H new ATOM 0 HA TYR A 83 -7.408 9.671 2.908 1.00 55.34 H new ATOM 0 HB2 TYR A 83 -7.478 7.240 2.814 1.00 34.32 H new ATOM 0 HB3 TYR A 83 -6.503 7.214 1.358 1.00 34.32 H new ATOM 0 HD1 TYR A 83 -6.401 8.005 4.994 1.00 74.54 H new ATOM 0 HD2 TYR A 83 -4.120 7.236 1.477 1.00 2.22 H new ATOM 0 HE1 TYR A 83 -4.364 7.822 6.353 1.00 65.43 H new ATOM 0 HE2 TYR A 83 -2.085 7.057 2.835 1.00 13.24 H new ATOM 0 HH TYR A 83 -1.203 7.122 4.856 1.00 23.12 H new ATOM 1245 N LEU A 84 -5.737 9.952 0.128 1.00 55.00 N ATOM 1246 CA LEU A 84 -4.628 10.631 -0.532 1.00 14.34 C ATOM 1247 C LEU A 84 -5.012 12.047 -0.945 1.00 71.53 C ATOM 1248 O LEU A 84 -4.258 12.731 -1.638 1.00 11.13 O ATOM 1249 CB LEU A 84 -4.171 9.819 -1.750 1.00 44.01 C ATOM 1250 CG LEU A 84 -2.801 9.153 -1.618 1.00 71.52 C ATOM 1251 CD1 LEU A 84 -1.698 10.188 -1.769 1.00 54.02 C ATOM 1252 CD2 LEU A 84 -2.671 8.441 -0.280 1.00 52.41 C ATOM 0 H LEU A 84 -6.369 9.468 -0.510 1.00 55.00 H new ATOM 0 HA LEU A 84 -3.803 10.707 0.176 1.00 14.34 H new ATOM 0 HB2 LEU A 84 -4.914 9.047 -1.950 1.00 44.01 H new ATOM 0 HB3 LEU A 84 -4.154 10.477 -2.619 1.00 44.01 H new ATOM 0 HG LEU A 84 -2.704 8.412 -2.411 1.00 71.52 H new ATOM 0 HD11 LEU A 84 -0.727 9.702 -1.673 1.00 54.02 H new ATOM 0 HD12 LEU A 84 -1.773 10.659 -2.749 1.00 54.02 H new ATOM 0 HD13 LEU A 84 -1.802 10.946 -0.993 1.00 54.02 H new ATOM 0 HD21 LEU A 84 -1.688 7.975 -0.210 1.00 52.41 H new ATOM 0 HD22 LEU A 84 -2.789 9.162 0.529 1.00 52.41 H new ATOM 0 HD23 LEU A 84 -3.442 7.675 -0.199 1.00 52.41 H new ATOM 1263 N SER A 85 -6.183 12.485 -0.507 1.00 15.44 N ATOM 1264 CA SER A 85 -6.639 13.838 -0.770 1.00 22.32 C ATOM 1265 C SER A 85 -6.106 14.769 0.321 1.00 52.54 C ATOM 1266 O SER A 85 -5.416 14.330 1.238 1.00 0.00 O ATOM 1267 CB SER A 85 -8.173 13.876 -0.817 1.00 2.34 C ATOM 1268 OG SER A 85 -8.646 15.082 -1.392 1.00 44.43 O ATOM 0 H SER A 85 -6.836 11.919 0.034 1.00 15.44 H new ATOM 0 HA SER A 85 -6.262 14.172 -1.737 1.00 22.32 H new ATOM 0 HB2 SER A 85 -8.541 13.028 -1.394 1.00 2.34 H new ATOM 0 HB3 SER A 85 -8.572 13.772 0.192 1.00 2.34 H new ATOM 0 HG SER A 85 -9.626 15.074 -1.409 1.00 44.43 H new TER 1273 SER A 85