USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 864 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 15 LYS NZ :NH3+ -153:sc= -0.131 (180deg=-1.04) USER MOD Set 1.2: A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 18:sc= 0.755! USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -161:sc= -0.028 (180deg=-0.315) USER MOD Single : A 13 CYS SG : rot 37:sc= 0.0571 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -151:sc= 0.626 (180deg=0.292) USER MOD Single : A 32 HIS :FLIP no HE2:sc= -6.62! C(o=-7.6!,f=-6.6!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.0143 K(o=-0.014,f=-0.89) USER MOD Single : A 47 ASN : amide:sc= -0.348 X(o=-0.35,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -117:sc= -0.341 (180deg=-1.69!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN :FLIP amide:sc= -3.66! C(o=-4.4!,f=-3.7!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -2.3 K(o=-2.3,f=-7.9!) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0138 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc=-0.00175 X(o=-0.0017,f=-0.47) USER MOD Single : A 94 GLN : amide:sc= -0.138 K(o=-0.14,f=-3.2!) USER MOD Single : A 96 GLN : amide:sc= -0.0652 X(o=-0.065,f=-0.11) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -53:sc= 0.902 USER MOD Single : A 106 HIS : no HE2:sc= -0.121 K(o=-0.12,f=-0.77) USER MOD Single : A 109 SER OG : rot -57:sc= 0.0607 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.982 30.433 -18.630 1.00 0.00 N ATOM 2 CA GLY A 1 13.160 29.823 -18.042 1.00 0.00 C ATOM 3 C GLY A 1 13.003 28.328 -17.848 1.00 0.00 C ATOM 4 O GLY A 1 12.627 27.611 -18.775 1.00 0.00 O ATOM 0 H1 GLY A 1 12.139 31.455 -18.742 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.798 30.007 -19.561 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.163 30.275 -18.009 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.022 30.015 -18.681 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.366 30.292 -17.080 1.00 0.00 H new ATOM 8 N SER A 2 13.293 27.856 -16.640 1.00 0.00 N ATOM 9 CA SER A 2 13.187 26.435 -16.328 1.00 0.00 C ATOM 10 C SER A 2 11.746 26.057 -16.000 1.00 0.00 C ATOM 11 O SER A 2 10.976 26.876 -15.499 1.00 0.00 O ATOM 12 CB SER A 2 14.100 26.080 -15.153 1.00 0.00 C ATOM 13 OG SER A 2 14.128 24.680 -14.935 1.00 0.00 O ATOM 0 H SER A 2 13.603 28.437 -15.861 1.00 0.00 H new ATOM 0 HA SER A 2 13.501 25.871 -17.206 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.109 26.441 -15.351 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.752 26.585 -14.252 1.00 0.00 H new ATOM 0 HG SER A 2 14.720 24.478 -14.180 1.00 0.00 H new ATOM 19 N SER A 3 11.388 24.809 -16.287 1.00 0.00 N ATOM 20 CA SER A 3 10.039 24.322 -16.027 1.00 0.00 C ATOM 21 C SER A 3 10.021 22.800 -15.925 1.00 0.00 C ATOM 22 O SER A 3 10.346 22.098 -16.882 1.00 0.00 O ATOM 23 CB SER A 3 9.086 24.781 -17.132 1.00 0.00 C ATOM 24 OG SER A 3 9.275 24.025 -18.315 1.00 0.00 O ATOM 0 H SER A 3 12.014 24.117 -16.700 1.00 0.00 H new ATOM 0 HA SER A 3 9.707 24.737 -15.075 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.055 24.680 -16.793 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.250 25.838 -17.342 1.00 0.00 H new ATOM 0 HG SER A 3 9.755 23.198 -18.101 1.00 0.00 H new ATOM 30 N GLY A 4 9.639 22.296 -14.755 1.00 0.00 N ATOM 31 CA GLY A 4 9.586 20.860 -14.548 1.00 0.00 C ATOM 32 C GLY A 4 10.842 20.159 -15.025 1.00 0.00 C ATOM 33 O GLY A 4 11.949 20.503 -14.610 1.00 0.00 O ATOM 0 H GLY A 4 9.366 22.856 -13.947 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.439 20.654 -13.488 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.723 20.452 -15.075 1.00 0.00 H new ATOM 37 N SER A 5 10.672 19.171 -15.898 1.00 0.00 N ATOM 38 CA SER A 5 11.801 18.415 -16.427 1.00 0.00 C ATOM 39 C SER A 5 11.965 18.661 -17.924 1.00 0.00 C ATOM 40 O SER A 5 11.015 19.036 -18.610 1.00 0.00 O ATOM 41 CB SER A 5 11.611 16.921 -16.161 1.00 0.00 C ATOM 42 OG SER A 5 11.839 16.612 -14.797 1.00 0.00 O ATOM 0 H SER A 5 9.763 18.875 -16.254 1.00 0.00 H new ATOM 0 HA SER A 5 12.704 18.754 -15.920 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.600 16.625 -16.440 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.295 16.347 -16.786 1.00 0.00 H new ATOM 0 HG SER A 5 11.709 15.651 -14.653 1.00 0.00 H new ATOM 48 N SER A 6 13.179 18.446 -18.423 1.00 0.00 N ATOM 49 CA SER A 6 13.470 18.647 -19.837 1.00 0.00 C ATOM 50 C SER A 6 12.790 17.579 -20.689 1.00 0.00 C ATOM 51 O SER A 6 12.139 17.887 -21.687 1.00 0.00 O ATOM 52 CB SER A 6 14.981 18.622 -20.077 1.00 0.00 C ATOM 53 OG SER A 6 15.279 18.719 -21.459 1.00 0.00 O ATOM 0 H SER A 6 13.976 18.133 -17.869 1.00 0.00 H new ATOM 0 HA SER A 6 13.079 19.622 -20.128 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.451 19.447 -19.542 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.401 17.700 -19.675 1.00 0.00 H new ATOM 0 HG SER A 6 16.251 18.702 -21.586 1.00 0.00 H new ATOM 59 N GLY A 7 12.947 16.322 -20.287 1.00 0.00 N ATOM 60 CA GLY A 7 12.344 15.227 -21.023 1.00 0.00 C ATOM 61 C GLY A 7 11.676 14.215 -20.114 1.00 0.00 C ATOM 62 O GLY A 7 11.934 14.186 -18.911 1.00 0.00 O ATOM 0 H GLY A 7 13.481 16.042 -19.464 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.608 15.625 -21.721 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.109 14.728 -21.617 1.00 0.00 H new ATOM 66 N MET A 8 10.813 13.384 -20.689 1.00 0.00 N ATOM 67 CA MET A 8 10.105 12.366 -19.921 1.00 0.00 C ATOM 68 C MET A 8 11.014 11.757 -18.858 1.00 0.00 C ATOM 69 O MET A 8 12.230 11.691 -19.032 1.00 0.00 O ATOM 70 CB MET A 8 9.580 11.269 -20.850 1.00 0.00 C ATOM 71 CG MET A 8 10.657 10.644 -21.721 1.00 0.00 C ATOM 72 SD MET A 8 10.147 9.068 -22.432 1.00 0.00 S ATOM 73 CE MET A 8 10.217 8.007 -20.991 1.00 0.00 C ATOM 0 H MET A 8 10.587 13.395 -21.684 1.00 0.00 H new ATOM 0 HA MET A 8 9.262 12.844 -19.422 1.00 0.00 H new ATOM 0 HB2 MET A 8 9.112 10.489 -20.250 1.00 0.00 H new ATOM 0 HB3 MET A 8 8.804 11.687 -21.491 1.00 0.00 H new ATOM 0 HG2 MET A 8 10.915 11.334 -22.524 1.00 0.00 H new ATOM 0 HG3 MET A 8 11.559 10.495 -21.127 1.00 0.00 H new ATOM 0 HE1 MET A 8 10.263 6.965 -21.308 1.00 0.00 H new ATOM 0 HE2 MET A 8 11.104 8.248 -20.405 1.00 0.00 H new ATOM 0 HE3 MET A 8 9.326 8.162 -20.382 1.00 0.00 H new ATOM 83 N ALA A 9 10.415 11.313 -17.758 1.00 0.00 N ATOM 84 CA ALA A 9 11.171 10.708 -16.668 1.00 0.00 C ATOM 85 C ALA A 9 11.352 9.210 -16.892 1.00 0.00 C ATOM 86 O ALA A 9 10.705 8.619 -17.755 1.00 0.00 O ATOM 87 CB ALA A 9 10.477 10.965 -15.339 1.00 0.00 C ATOM 0 H ALA A 9 9.409 11.361 -17.598 1.00 0.00 H new ATOM 0 HA ALA A 9 12.159 11.167 -16.644 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.052 10.508 -14.534 1.00 0.00 H new ATOM 0 HB2 ALA A 9 10.404 12.039 -15.168 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.477 10.532 -15.361 1.00 0.00 H new ATOM 93 N ALA A 10 12.238 8.603 -16.108 1.00 0.00 N ATOM 94 CA ALA A 10 12.503 7.174 -16.220 1.00 0.00 C ATOM 95 C ALA A 10 11.754 6.391 -15.148 1.00 0.00 C ATOM 96 O ALA A 10 11.374 6.925 -14.106 1.00 0.00 O ATOM 97 CB ALA A 10 13.998 6.906 -16.125 1.00 0.00 C ATOM 0 H ALA A 10 12.784 9.079 -15.389 1.00 0.00 H new ATOM 0 HA ALA A 10 12.146 6.838 -17.194 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.182 5.835 -16.210 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.513 7.428 -16.932 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.371 7.263 -15.165 1.00 0.00 H new ATOM 103 N PRO A 11 11.534 5.093 -15.407 1.00 0.00 N ATOM 104 CA PRO A 11 10.828 4.209 -14.475 1.00 0.00 C ATOM 105 C PRO A 11 11.642 3.921 -13.218 1.00 0.00 C ATOM 106 O PRO A 11 12.782 3.461 -13.297 1.00 0.00 O ATOM 107 CB PRO A 11 10.626 2.927 -15.287 1.00 0.00 C ATOM 108 CG PRO A 11 11.721 2.942 -16.297 1.00 0.00 C ATOM 109 CD PRO A 11 11.959 4.389 -16.628 1.00 0.00 C ATOM 0 HA PRO A 11 9.900 4.654 -14.116 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.685 2.043 -14.652 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.647 2.911 -15.765 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.624 2.479 -15.900 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.439 2.379 -17.187 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.007 4.581 -16.859 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.379 4.703 -17.496 1.00 0.00 H new ATOM 117 N LEU A 12 11.051 4.194 -12.061 1.00 0.00 N ATOM 118 CA LEU A 12 11.722 3.963 -10.786 1.00 0.00 C ATOM 119 C LEU A 12 11.295 2.631 -10.178 1.00 0.00 C ATOM 120 O LEU A 12 10.182 2.159 -10.413 1.00 0.00 O ATOM 121 CB LEU A 12 11.416 5.103 -9.812 1.00 0.00 C ATOM 122 CG LEU A 12 9.977 5.179 -9.300 1.00 0.00 C ATOM 123 CD1 LEU A 12 9.706 4.063 -8.302 1.00 0.00 C ATOM 124 CD2 LEU A 12 9.706 6.537 -8.671 1.00 0.00 C ATOM 0 H LEU A 12 10.109 4.576 -11.979 1.00 0.00 H new ATOM 0 HA LEU A 12 12.796 3.929 -10.970 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.082 5.010 -8.954 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.657 6.047 -10.301 1.00 0.00 H new ATOM 0 HG LEU A 12 9.303 5.053 -10.147 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.677 4.133 -7.948 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.859 3.098 -8.785 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.387 4.158 -7.457 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.677 6.573 -8.312 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.388 6.693 -7.835 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.859 7.319 -9.415 1.00 0.00 H new ATOM 136 N CYS A 13 12.185 2.031 -9.396 1.00 0.00 N ATOM 137 CA CYS A 13 11.899 0.753 -8.753 1.00 0.00 C ATOM 138 C CYS A 13 11.924 0.891 -7.234 1.00 0.00 C ATOM 139 O CYS A 13 12.815 1.530 -6.673 1.00 0.00 O ATOM 140 CB CYS A 13 12.912 -0.303 -9.198 1.00 0.00 C ATOM 141 SG CYS A 13 12.753 -1.886 -8.339 1.00 0.00 S ATOM 0 H CYS A 13 13.110 2.408 -9.192 1.00 0.00 H new ATOM 0 HA CYS A 13 10.900 0.438 -9.055 1.00 0.00 H new ATOM 0 HB2 CYS A 13 12.800 -0.470 -10.269 1.00 0.00 H new ATOM 0 HB3 CYS A 13 13.918 0.085 -9.040 1.00 0.00 H new ATOM 0 HG CYS A 13 11.496 -2.140 -8.126 1.00 0.00 H new ATOM 147 N VAL A 14 10.940 0.290 -6.574 1.00 0.00 N ATOM 148 CA VAL A 14 10.848 0.346 -5.120 1.00 0.00 C ATOM 149 C VAL A 14 10.495 -1.019 -4.539 1.00 0.00 C ATOM 150 O VAL A 14 9.689 -1.757 -5.105 1.00 0.00 O ATOM 151 CB VAL A 14 9.797 1.375 -4.663 1.00 0.00 C ATOM 152 CG1 VAL A 14 10.191 2.775 -5.108 1.00 0.00 C ATOM 153 CG2 VAL A 14 8.422 1.004 -5.197 1.00 0.00 C ATOM 0 H VAL A 14 10.195 -0.242 -7.023 1.00 0.00 H new ATOM 0 HA VAL A 14 11.827 0.652 -4.752 1.00 0.00 H new ATOM 0 HB VAL A 14 9.754 1.365 -3.574 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.436 3.488 -4.776 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.155 3.037 -4.672 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.264 2.804 -6.195 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.691 1.742 -4.865 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.448 0.984 -6.287 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.140 0.020 -4.823 1.00 0.00 H new ATOM 163 N LYS A 15 11.102 -1.348 -3.404 1.00 0.00 N ATOM 164 CA LYS A 15 10.851 -2.623 -2.743 1.00 0.00 C ATOM 165 C LYS A 15 9.614 -2.541 -1.854 1.00 0.00 C ATOM 166 O LYS A 15 9.350 -1.511 -1.233 1.00 0.00 O ATOM 167 CB LYS A 15 12.065 -3.035 -1.907 1.00 0.00 C ATOM 168 CG LYS A 15 13.371 -3.021 -2.684 1.00 0.00 C ATOM 169 CD LYS A 15 14.550 -2.684 -1.786 1.00 0.00 C ATOM 170 CE LYS A 15 14.713 -3.707 -0.672 1.00 0.00 C ATOM 171 NZ LYS A 15 14.009 -3.289 0.572 1.00 0.00 N ATOM 0 H LYS A 15 11.772 -0.749 -2.922 1.00 0.00 H new ATOM 0 HA LYS A 15 10.675 -3.374 -3.513 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.153 -2.363 -1.053 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.899 -4.036 -1.509 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.531 -3.995 -3.146 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.307 -2.292 -3.492 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.462 -2.644 -2.381 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.408 -1.693 -1.354 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.324 -4.670 -1.003 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.773 -3.847 -0.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.479 -3.714 1.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.035 -2.253 0.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.020 -3.608 0.535 1.00 0.00 H new ATOM 185 N VAL A 16 8.859 -3.633 -1.797 1.00 0.00 N ATOM 186 CA VAL A 16 7.651 -3.685 -0.982 1.00 0.00 C ATOM 187 C VAL A 16 7.543 -5.014 -0.243 1.00 0.00 C ATOM 188 O VAL A 16 7.537 -6.079 -0.859 1.00 0.00 O ATOM 189 CB VAL A 16 6.387 -3.483 -1.839 1.00 0.00 C ATOM 190 CG1 VAL A 16 5.135 -3.733 -1.012 1.00 0.00 C ATOM 191 CG2 VAL A 16 6.368 -2.086 -2.440 1.00 0.00 C ATOM 0 H VAL A 16 9.062 -4.494 -2.305 1.00 0.00 H new ATOM 0 HA VAL A 16 7.723 -2.874 -0.257 1.00 0.00 H new ATOM 0 HB VAL A 16 6.404 -4.205 -2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.252 -3.585 -1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.146 -4.756 -0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.108 -3.037 -0.173 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.468 -1.961 -3.042 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.375 -1.346 -1.640 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.247 -1.949 -3.069 1.00 0.00 H new ATOM 201 N GLU A 17 7.459 -4.943 1.082 1.00 0.00 N ATOM 202 CA GLU A 17 7.352 -6.141 1.906 1.00 0.00 C ATOM 203 C GLU A 17 6.097 -6.097 2.771 1.00 0.00 C ATOM 204 O GLU A 17 5.854 -5.122 3.483 1.00 0.00 O ATOM 205 CB GLU A 17 8.591 -6.290 2.792 1.00 0.00 C ATOM 206 CG GLU A 17 8.616 -7.582 3.591 1.00 0.00 C ATOM 207 CD GLU A 17 9.438 -7.468 4.860 1.00 0.00 C ATOM 208 OE1 GLU A 17 8.873 -7.061 5.897 1.00 0.00 O ATOM 209 OE2 GLU A 17 10.645 -7.784 4.816 1.00 0.00 O ATOM 0 H GLU A 17 7.463 -4.069 1.607 1.00 0.00 H new ATOM 0 HA GLU A 17 7.283 -7.002 1.242 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.482 -6.242 2.167 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.639 -5.446 3.480 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.595 -7.865 3.848 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.022 -8.381 2.970 1.00 0.00 H new ATOM 216 N PHE A 18 5.301 -7.159 2.704 1.00 0.00 N ATOM 217 CA PHE A 18 4.069 -7.242 3.480 1.00 0.00 C ATOM 218 C PHE A 18 4.228 -8.205 4.653 1.00 0.00 C ATOM 219 O PHE A 18 4.894 -9.234 4.539 1.00 0.00 O ATOM 220 CB PHE A 18 2.909 -7.692 2.589 1.00 0.00 C ATOM 221 CG PHE A 18 2.654 -6.774 1.428 1.00 0.00 C ATOM 222 CD1 PHE A 18 3.410 -6.872 0.271 1.00 0.00 C ATOM 223 CD2 PHE A 18 1.659 -5.812 1.494 1.00 0.00 C ATOM 224 CE1 PHE A 18 3.177 -6.029 -0.799 1.00 0.00 C ATOM 225 CE2 PHE A 18 1.422 -4.967 0.427 1.00 0.00 C ATOM 226 CZ PHE A 18 2.182 -5.074 -0.721 1.00 0.00 C ATOM 0 H PHE A 18 5.487 -7.974 2.120 1.00 0.00 H new ATOM 0 HA PHE A 18 3.851 -6.250 3.875 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.118 -8.693 2.211 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.004 -7.762 3.192 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.190 -7.616 0.205 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.062 -5.722 2.390 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.773 -6.117 -1.696 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.642 -4.223 0.491 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.999 -4.413 -1.555 1.00 0.00 H new ATOM 236 N GLY A 19 3.611 -7.863 5.780 1.00 0.00 N ATOM 237 CA GLY A 19 3.697 -8.707 6.958 1.00 0.00 C ATOM 238 C GLY A 19 3.146 -10.098 6.715 1.00 0.00 C ATOM 239 O GLY A 19 3.588 -10.799 5.806 1.00 0.00 O ATOM 0 H GLY A 19 3.053 -7.017 5.898 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.738 -8.782 7.273 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.149 -8.240 7.777 1.00 0.00 H new ATOM 243 N GLY A 20 2.178 -10.501 7.533 1.00 0.00 N ATOM 244 CA GLY A 20 1.584 -11.817 7.388 1.00 0.00 C ATOM 245 C GLY A 20 0.125 -11.752 6.982 1.00 0.00 C ATOM 246 O GLY A 20 -0.619 -10.892 7.451 1.00 0.00 O ATOM 0 H GLY A 20 1.795 -9.939 8.293 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.141 -12.384 6.642 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.672 -12.358 8.330 1.00 0.00 H new ATOM 250 N GLY A 21 -0.285 -12.665 6.107 1.00 0.00 N ATOM 251 CA GLY A 21 -1.663 -12.690 5.652 1.00 0.00 C ATOM 252 C GLY A 21 -1.878 -11.851 4.407 1.00 0.00 C ATOM 253 O GLY A 21 -2.652 -12.223 3.526 1.00 0.00 O ATOM 0 H GLY A 21 0.312 -13.388 5.705 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.956 -13.720 5.448 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.312 -12.326 6.448 1.00 0.00 H new ATOM 257 N ALA A 22 -1.191 -10.716 4.335 1.00 0.00 N ATOM 258 CA ALA A 22 -1.310 -9.823 3.189 1.00 0.00 C ATOM 259 C ALA A 22 -0.497 -10.337 2.006 1.00 0.00 C ATOM 260 O ALA A 22 -0.909 -10.203 0.854 1.00 0.00 O ATOM 261 CB ALA A 22 -0.865 -8.418 3.566 1.00 0.00 C ATOM 0 H ALA A 22 -0.546 -10.393 5.056 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.358 -9.793 2.891 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.959 -7.762 2.701 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.491 -8.043 4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.175 -8.441 3.892 1.00 0.00 H new ATOM 267 N GLU A 23 0.659 -10.924 2.298 1.00 0.00 N ATOM 268 CA GLU A 23 1.530 -11.456 1.257 1.00 0.00 C ATOM 269 C GLU A 23 0.738 -12.307 0.268 1.00 0.00 C ATOM 270 O GLU A 23 1.050 -12.347 -0.923 1.00 0.00 O ATOM 271 CB GLU A 23 2.654 -12.289 1.877 1.00 0.00 C ATOM 272 CG GLU A 23 2.157 -13.476 2.686 1.00 0.00 C ATOM 273 CD GLU A 23 1.925 -13.131 4.144 1.00 0.00 C ATOM 274 OE1 GLU A 23 1.869 -11.926 4.468 1.00 0.00 O ATOM 275 OE2 GLU A 23 1.800 -14.067 4.962 1.00 0.00 O ATOM 0 H GLU A 23 1.014 -11.043 3.247 1.00 0.00 H new ATOM 0 HA GLU A 23 1.966 -10.614 0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.308 -12.649 1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.257 -11.648 2.520 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.228 -13.844 2.251 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.883 -14.286 2.619 1.00 0.00 H new ATOM 282 N LEU A 24 -0.287 -12.986 0.769 1.00 0.00 N ATOM 283 CA LEU A 24 -1.125 -13.837 -0.069 1.00 0.00 C ATOM 284 C LEU A 24 -1.815 -13.020 -1.157 1.00 0.00 C ATOM 285 O LEU A 24 -1.964 -13.477 -2.291 1.00 0.00 O ATOM 286 CB LEU A 24 -2.170 -14.557 0.785 1.00 0.00 C ATOM 287 CG LEU A 24 -1.631 -15.585 1.780 1.00 0.00 C ATOM 288 CD1 LEU A 24 -2.694 -15.940 2.809 1.00 0.00 C ATOM 289 CD2 LEU A 24 -1.153 -16.833 1.052 1.00 0.00 C ATOM 0 H LEU A 24 -0.559 -12.964 1.752 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.484 -14.577 -0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.737 -13.808 1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.871 -15.059 0.119 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.781 -15.146 2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.293 -16.673 3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.988 -15.042 3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.564 -16.360 2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.773 -17.553 1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.984 -17.275 0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.359 -16.566 0.355 1.00 0.00 H new ATOM 301 N LEU A 25 -2.231 -11.809 -0.805 1.00 0.00 N ATOM 302 CA LEU A 25 -2.903 -10.926 -1.752 1.00 0.00 C ATOM 303 C LEU A 25 -1.934 -10.439 -2.825 1.00 0.00 C ATOM 304 O LEU A 25 -2.323 -9.723 -3.748 1.00 0.00 O ATOM 305 CB LEU A 25 -3.514 -9.730 -1.019 1.00 0.00 C ATOM 306 CG LEU A 25 -4.627 -10.052 -0.021 1.00 0.00 C ATOM 307 CD1 LEU A 25 -4.638 -9.037 1.112 1.00 0.00 C ATOM 308 CD2 LEU A 25 -5.977 -10.087 -0.721 1.00 0.00 C ATOM 0 H LEU A 25 -2.115 -11.416 0.129 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.698 -11.492 -2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.717 -9.209 -0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.909 -9.037 -1.762 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.435 -11.037 0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.436 -9.282 1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.680 -9.061 1.631 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.806 -8.040 0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.757 -10.318 0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.178 -9.116 -1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.965 -10.853 -1.497 1.00 0.00 H new ATOM 320 N PHE A 26 -0.672 -10.834 -2.698 1.00 0.00 N ATOM 321 CA PHE A 26 0.353 -10.439 -3.657 1.00 0.00 C ATOM 322 C PHE A 26 1.196 -11.639 -4.078 1.00 0.00 C ATOM 323 O PHE A 26 2.257 -11.896 -3.509 1.00 0.00 O ATOM 324 CB PHE A 26 1.252 -9.355 -3.058 1.00 0.00 C ATOM 325 CG PHE A 26 0.500 -8.136 -2.605 1.00 0.00 C ATOM 326 CD1 PHE A 26 0.273 -7.083 -3.476 1.00 0.00 C ATOM 327 CD2 PHE A 26 0.021 -8.043 -1.308 1.00 0.00 C ATOM 328 CE1 PHE A 26 -0.418 -5.960 -3.061 1.00 0.00 C ATOM 329 CE2 PHE A 26 -0.670 -6.923 -0.888 1.00 0.00 C ATOM 330 CZ PHE A 26 -0.891 -5.880 -1.766 1.00 0.00 C ATOM 0 H PHE A 26 -0.334 -11.427 -1.940 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.146 -10.040 -4.540 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.796 -9.772 -2.211 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.995 -9.060 -3.799 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.640 -7.140 -4.490 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.190 -8.856 -0.617 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.588 -5.145 -3.749 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.037 -6.863 0.126 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.432 -5.004 -1.441 1.00 0.00 H new ATOM 340 N ASP A 27 0.715 -12.370 -5.077 1.00 0.00 N ATOM 341 CA ASP A 27 1.423 -13.543 -5.576 1.00 0.00 C ATOM 342 C ASP A 27 2.086 -14.305 -4.432 1.00 0.00 C ATOM 343 O ASP A 27 3.111 -14.958 -4.619 1.00 0.00 O ATOM 344 CB ASP A 27 2.475 -13.131 -6.607 1.00 0.00 C ATOM 345 CG ASP A 27 1.873 -12.391 -7.785 1.00 0.00 C ATOM 346 OD1 ASP A 27 0.722 -12.703 -8.155 1.00 0.00 O ATOM 347 OD2 ASP A 27 2.552 -11.500 -8.337 1.00 0.00 O ATOM 0 H ASP A 27 -0.162 -12.171 -5.557 1.00 0.00 H new ATOM 0 HA ASP A 27 0.695 -14.199 -6.053 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.221 -12.498 -6.127 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.994 -14.019 -6.967 1.00 0.00 H new ATOM 352 N GLY A 28 1.492 -14.215 -3.246 1.00 0.00 N ATOM 353 CA GLY A 28 2.038 -14.900 -2.089 1.00 0.00 C ATOM 354 C GLY A 28 3.550 -14.810 -2.023 1.00 0.00 C ATOM 355 O GLY A 28 4.247 -15.810 -2.196 1.00 0.00 O ATOM 0 H GLY A 28 0.642 -13.680 -3.066 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.612 -14.472 -1.182 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.740 -15.948 -2.117 1.00 0.00 H new ATOM 359 N VAL A 29 4.060 -13.608 -1.773 1.00 0.00 N ATOM 360 CA VAL A 29 5.499 -13.391 -1.686 1.00 0.00 C ATOM 361 C VAL A 29 5.839 -12.399 -0.579 1.00 0.00 C ATOM 362 O VAL A 29 5.119 -11.424 -0.361 1.00 0.00 O ATOM 363 CB VAL A 29 6.070 -12.872 -3.019 1.00 0.00 C ATOM 364 CG1 VAL A 29 7.459 -12.286 -2.812 1.00 0.00 C ATOM 365 CG2 VAL A 29 6.101 -13.985 -4.054 1.00 0.00 C ATOM 0 H VAL A 29 3.498 -12.770 -1.627 1.00 0.00 H new ATOM 0 HA VAL A 29 5.952 -14.356 -1.457 1.00 0.00 H new ATOM 0 HB VAL A 29 5.419 -12.080 -3.390 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.847 -11.924 -3.764 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.403 -11.458 -2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.123 -13.055 -2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.507 -13.601 -4.990 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.729 -14.800 -3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.089 -14.354 -4.222 1.00 0.00 H new ATOM 375 N LYS A 30 6.941 -12.653 0.118 1.00 0.00 N ATOM 376 CA LYS A 30 7.379 -11.782 1.202 1.00 0.00 C ATOM 377 C LYS A 30 7.825 -10.426 0.664 1.00 0.00 C ATOM 378 O LYS A 30 7.274 -9.388 1.032 1.00 0.00 O ATOM 379 CB LYS A 30 8.525 -12.436 1.978 1.00 0.00 C ATOM 380 CG LYS A 30 8.094 -13.642 2.796 1.00 0.00 C ATOM 381 CD LYS A 30 8.305 -14.938 2.032 1.00 0.00 C ATOM 382 CE LYS A 30 9.783 -15.265 1.886 1.00 0.00 C ATOM 383 NZ LYS A 30 10.283 -16.090 3.021 1.00 0.00 N ATOM 0 H LYS A 30 7.548 -13.456 -0.049 1.00 0.00 H new ATOM 0 HA LYS A 30 6.535 -11.627 1.874 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.300 -12.742 1.276 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.971 -11.697 2.643 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.659 -13.672 3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.042 -13.544 3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.800 -15.753 2.550 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.850 -14.858 1.045 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.946 -15.799 0.950 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.356 -14.339 1.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.294 -16.292 2.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.151 -15.571 3.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.754 -16.984 3.060 1.00 0.00 H new ATOM 397 N LYS A 31 8.826 -10.441 -0.210 1.00 0.00 N ATOM 398 CA LYS A 31 9.345 -9.214 -0.801 1.00 0.00 C ATOM 399 C LYS A 31 8.948 -9.107 -2.270 1.00 0.00 C ATOM 400 O LYS A 31 9.079 -10.067 -3.030 1.00 0.00 O ATOM 401 CB LYS A 31 10.869 -9.164 -0.669 1.00 0.00 C ATOM 402 CG LYS A 31 11.350 -8.967 0.758 1.00 0.00 C ATOM 403 CD LYS A 31 12.835 -8.648 0.807 1.00 0.00 C ATOM 404 CE LYS A 31 13.420 -8.929 2.182 1.00 0.00 C ATOM 405 NZ LYS A 31 13.078 -7.859 3.160 1.00 0.00 N ATOM 0 H LYS A 31 9.294 -11.291 -0.525 1.00 0.00 H new ATOM 0 HA LYS A 31 8.912 -8.371 -0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.290 -10.090 -1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.252 -8.353 -1.288 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.788 -8.158 1.224 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.151 -9.868 1.338 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.361 -9.241 0.059 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.992 -7.600 0.551 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.048 -9.886 2.546 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.504 -9.017 2.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.828 -7.792 3.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.992 -6.949 2.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.175 -8.088 3.623 1.00 0.00 H new ATOM 419 N HIS A 32 8.462 -7.934 -2.663 1.00 0.00 N ATOM 420 CA HIS A 32 8.047 -7.701 -4.042 1.00 0.00 C ATOM 421 C HIS A 32 8.800 -6.519 -4.644 1.00 0.00 C ATOM 422 O HIS A 32 8.951 -5.478 -4.005 1.00 0.00 O ATOM 423 CB HIS A 32 6.541 -7.449 -4.108 1.00 0.00 C ATOM 424 CG HIS A 32 5.748 -8.308 -3.173 1.00 0.00 C ATOM 425 ND1 HIS A 32 5.445 -8.147 -1.863 1.00 0.00 N flip ATOM 426 CD2 HIS A 32 5.163 -9.497 -3.555 1.00 0.00 C flip ATOM 427 CE1 HIS A 32 4.690 -9.229 -1.483 1.00 0.00 C flip ATOM 428 NE2 HIS A 32 4.534 -10.029 -2.522 1.00 0.00 N flip ATOM 0 H HIS A 32 8.346 -7.130 -2.046 1.00 0.00 H new ATOM 0 HA HIS A 32 8.284 -8.593 -4.622 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.346 -6.401 -3.879 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.196 -7.622 -5.128 1.00 0.00 H new ATOM 0 HD1 HIS A 32 5.726 -7.367 -1.269 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.211 -9.927 -4.545 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.289 -9.398 -0.495 1.00 0.00 H new ATOM 437 N GLN A 33 9.271 -6.688 -5.875 1.00 0.00 N ATOM 438 CA GLN A 33 10.010 -5.634 -6.562 1.00 0.00 C ATOM 439 C GLN A 33 9.081 -4.803 -7.440 1.00 0.00 C ATOM 440 O GLN A 33 8.642 -5.253 -8.498 1.00 0.00 O ATOM 441 CB GLN A 33 11.130 -6.238 -7.411 1.00 0.00 C ATOM 442 CG GLN A 33 12.021 -5.198 -8.070 1.00 0.00 C ATOM 443 CD GLN A 33 13.403 -5.733 -8.392 1.00 0.00 C ATOM 444 OE1 GLN A 33 13.585 -6.473 -9.359 1.00 0.00 O ATOM 445 NE2 GLN A 33 14.386 -5.361 -7.580 1.00 0.00 N ATOM 0 H GLN A 33 9.154 -7.544 -6.417 1.00 0.00 H new ATOM 0 HA GLN A 33 10.448 -4.980 -5.808 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.743 -6.884 -6.783 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.690 -6.869 -8.183 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.548 -4.849 -8.988 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.114 -4.335 -7.411 1.00 0.00 H new ATOM 0 HE21 GLN A 33 14.190 -4.746 -6.790 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.337 -5.690 -7.746 1.00 0.00 H new ATOM 454 N VAL A 34 8.786 -3.585 -6.994 1.00 0.00 N ATOM 455 CA VAL A 34 7.910 -2.690 -7.740 1.00 0.00 C ATOM 456 C VAL A 34 8.707 -1.821 -8.707 1.00 0.00 C ATOM 457 O VAL A 34 9.804 -1.363 -8.387 1.00 0.00 O ATOM 458 CB VAL A 34 7.102 -1.780 -6.796 1.00 0.00 C ATOM 459 CG1 VAL A 34 6.171 -0.877 -7.591 1.00 0.00 C ATOM 460 CG2 VAL A 34 6.321 -2.614 -5.792 1.00 0.00 C ATOM 0 H VAL A 34 9.141 -3.196 -6.120 1.00 0.00 H new ATOM 0 HA VAL A 34 7.221 -3.319 -8.304 1.00 0.00 H new ATOM 0 HB VAL A 34 7.798 -1.148 -6.245 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.609 -0.242 -6.907 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.757 -0.254 -8.266 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.479 -1.488 -8.171 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.756 -1.955 -5.133 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.634 -3.273 -6.323 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.013 -3.213 -5.200 1.00 0.00 H new ATOM 470 N ALA A 35 8.148 -1.597 -9.892 1.00 0.00 N ATOM 471 CA ALA A 35 8.805 -0.781 -10.905 1.00 0.00 C ATOM 472 C ALA A 35 7.837 0.233 -11.505 1.00 0.00 C ATOM 473 O ALA A 35 7.113 -0.070 -12.454 1.00 0.00 O ATOM 474 CB ALA A 35 9.390 -1.665 -11.996 1.00 0.00 C ATOM 0 H ALA A 35 7.241 -1.970 -10.174 1.00 0.00 H new ATOM 0 HA ALA A 35 9.615 -0.231 -10.425 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.878 -1.043 -12.746 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.120 -2.347 -11.560 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.592 -2.240 -12.465 1.00 0.00 H new ATOM 480 N LEU A 36 7.829 1.438 -10.946 1.00 0.00 N ATOM 481 CA LEU A 36 6.949 2.499 -11.425 1.00 0.00 C ATOM 482 C LEU A 36 7.561 3.212 -12.626 1.00 0.00 C ATOM 483 O LEU A 36 8.779 3.341 -12.748 1.00 0.00 O ATOM 484 CB LEU A 36 6.672 3.504 -10.306 1.00 0.00 C ATOM 485 CG LEU A 36 6.182 2.917 -8.982 1.00 0.00 C ATOM 486 CD1 LEU A 36 6.300 3.943 -7.867 1.00 0.00 C ATOM 487 CD2 LEU A 36 4.745 2.432 -9.113 1.00 0.00 C ATOM 0 H LEU A 36 8.422 1.705 -10.160 1.00 0.00 H new ATOM 0 HA LEU A 36 6.008 2.045 -11.736 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.586 4.066 -10.115 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.928 4.217 -10.661 1.00 0.00 H new ATOM 0 HG LEU A 36 6.811 2.063 -8.730 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.947 3.507 -6.933 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.342 4.242 -7.757 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.696 4.817 -8.111 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.413 2.017 -8.161 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.102 3.268 -9.389 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.689 1.663 -9.883 1.00 0.00 H new ATOM 499 N PRO A 37 6.697 3.690 -13.534 1.00 0.00 N ATOM 500 CA PRO A 37 7.130 4.402 -14.740 1.00 0.00 C ATOM 501 C PRO A 37 7.711 5.777 -14.426 1.00 0.00 C ATOM 502 O PRO A 37 7.888 6.135 -13.262 1.00 0.00 O ATOM 503 CB PRO A 37 5.840 4.540 -15.553 1.00 0.00 C ATOM 504 CG PRO A 37 4.748 4.492 -14.541 1.00 0.00 C ATOM 505 CD PRO A 37 5.232 3.573 -13.453 1.00 0.00 C ATOM 0 HA PRO A 37 7.925 3.871 -15.263 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.822 5.476 -16.111 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.742 3.734 -16.280 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.537 5.486 -14.147 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.823 4.121 -14.982 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.858 3.876 -12.475 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.901 2.547 -13.617 1.00 0.00 H new ATOM 513 N GLY A 38 8.006 6.543 -15.471 1.00 0.00 N ATOM 514 CA GLY A 38 8.564 7.870 -15.284 1.00 0.00 C ATOM 515 C GLY A 38 7.705 8.953 -15.906 1.00 0.00 C ATOM 516 O GLY A 38 7.259 8.821 -17.046 1.00 0.00 O ATOM 0 H GLY A 38 7.869 6.269 -16.444 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.676 8.067 -14.218 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.562 7.906 -15.721 1.00 0.00 H new ATOM 520 N GLN A 39 7.471 10.024 -15.156 1.00 0.00 N ATOM 521 CA GLN A 39 6.657 11.133 -15.641 1.00 0.00 C ATOM 522 C GLN A 39 7.085 12.446 -14.994 1.00 0.00 C ATOM 523 O GLN A 39 7.886 12.456 -14.060 1.00 0.00 O ATOM 524 CB GLN A 39 5.177 10.869 -15.357 1.00 0.00 C ATOM 525 CG GLN A 39 4.928 10.164 -14.034 1.00 0.00 C ATOM 526 CD GLN A 39 3.530 10.406 -13.498 1.00 0.00 C ATOM 527 OE1 GLN A 39 2.651 10.881 -14.217 1.00 0.00 O ATOM 528 NE2 GLN A 39 3.318 10.080 -12.228 1.00 0.00 N ATOM 0 H GLN A 39 7.833 10.148 -14.210 1.00 0.00 H new ATOM 0 HA GLN A 39 6.804 11.215 -16.718 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.640 11.818 -15.360 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.763 10.265 -16.164 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.083 9.093 -14.163 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.658 10.506 -13.301 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.076 9.689 -11.669 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.397 10.221 -11.812 1.00 0.00 H new ATOM 537 N GLU A 40 6.545 13.552 -15.497 1.00 0.00 N ATOM 538 CA GLU A 40 6.872 14.870 -14.967 1.00 0.00 C ATOM 539 C GLU A 40 6.690 14.909 -13.453 1.00 0.00 C ATOM 540 O GLU A 40 7.461 15.551 -12.741 1.00 0.00 O ATOM 541 CB GLU A 40 5.998 15.940 -15.625 1.00 0.00 C ATOM 542 CG GLU A 40 6.515 16.401 -16.978 1.00 0.00 C ATOM 543 CD GLU A 40 6.861 15.244 -17.895 1.00 0.00 C ATOM 544 OE1 GLU A 40 5.926 14.587 -18.399 1.00 0.00 O ATOM 545 OE2 GLU A 40 8.066 14.995 -18.108 1.00 0.00 O ATOM 0 H GLU A 40 5.880 13.561 -16.270 1.00 0.00 H new ATOM 0 HA GLU A 40 7.918 15.075 -15.195 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.988 15.548 -15.746 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.929 16.800 -14.959 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.762 17.027 -17.457 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.399 17.022 -16.833 1.00 0.00 H new ATOM 552 N GLU A 41 5.663 14.218 -12.968 1.00 0.00 N ATOM 553 CA GLU A 41 5.378 14.175 -11.539 1.00 0.00 C ATOM 554 C GLU A 41 5.849 12.858 -10.930 1.00 0.00 C ATOM 555 O GLU A 41 5.691 11.784 -11.511 1.00 0.00 O ATOM 556 CB GLU A 41 3.879 14.358 -11.289 1.00 0.00 C ATOM 557 CG GLU A 41 3.422 15.805 -11.364 1.00 0.00 C ATOM 558 CD GLU A 41 1.948 15.968 -11.050 1.00 0.00 C ATOM 559 OE1 GLU A 41 1.115 15.463 -11.831 1.00 0.00 O ATOM 560 OE2 GLU A 41 1.627 16.602 -10.022 1.00 0.00 O ATOM 0 H GLU A 41 5.015 13.681 -13.544 1.00 0.00 H new ATOM 0 HA GLU A 41 5.921 14.991 -11.062 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.323 13.772 -12.021 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.632 13.958 -10.306 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.007 16.403 -10.665 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.622 16.194 -12.362 1.00 0.00 H new ATOM 567 N PRO A 42 6.442 12.940 -9.730 1.00 0.00 N ATOM 568 CA PRO A 42 6.948 11.765 -9.015 1.00 0.00 C ATOM 569 C PRO A 42 5.826 10.867 -8.507 1.00 0.00 C ATOM 570 O PRO A 42 4.706 11.325 -8.279 1.00 0.00 O ATOM 571 CB PRO A 42 7.721 12.370 -7.840 1.00 0.00 C ATOM 572 CG PRO A 42 7.094 13.703 -7.621 1.00 0.00 C ATOM 573 CD PRO A 42 6.663 14.187 -8.978 1.00 0.00 C ATOM 0 HA PRO A 42 7.553 11.127 -9.659 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.643 11.745 -6.951 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.782 12.465 -8.071 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.242 13.627 -6.945 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.801 14.397 -7.166 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.756 14.788 -8.921 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.428 14.808 -9.445 1.00 0.00 H new ATOM 581 N TRP A 43 6.132 9.586 -8.332 1.00 0.00 N ATOM 582 CA TRP A 43 5.148 8.624 -7.850 1.00 0.00 C ATOM 583 C TRP A 43 4.902 8.798 -6.356 1.00 0.00 C ATOM 584 O TRP A 43 5.750 8.453 -5.533 1.00 0.00 O ATOM 585 CB TRP A 43 5.615 7.197 -8.140 1.00 0.00 C ATOM 586 CG TRP A 43 5.192 6.695 -9.487 1.00 0.00 C ATOM 587 CD1 TRP A 43 5.894 6.787 -10.654 1.00 0.00 C ATOM 588 CD2 TRP A 43 3.967 6.024 -9.805 1.00 0.00 C ATOM 589 NE1 TRP A 43 5.181 6.214 -11.679 1.00 0.00 N ATOM 590 CE2 TRP A 43 3.995 5.738 -11.184 1.00 0.00 C ATOM 591 CE3 TRP A 43 2.851 5.636 -9.059 1.00 0.00 C ATOM 592 CZ2 TRP A 43 2.950 5.083 -11.830 1.00 0.00 C ATOM 593 CZ3 TRP A 43 1.814 4.986 -9.702 1.00 0.00 C ATOM 594 CH2 TRP A 43 1.869 4.715 -11.075 1.00 0.00 C ATOM 0 H TRP A 43 7.054 9.190 -8.517 1.00 0.00 H new ATOM 0 HA TRP A 43 4.211 8.806 -8.376 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.702 7.157 -8.070 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.222 6.531 -7.372 1.00 0.00 H new ATOM 0 HD1 TRP A 43 6.867 7.243 -10.757 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.485 6.153 -12.651 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.799 5.840 -8.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.991 4.873 -12.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.946 4.682 -9.136 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.042 4.206 -11.547 1.00 0.00 H new ATOM 605 N ASP A 44 3.737 9.335 -6.011 1.00 0.00 N ATOM 606 CA ASP A 44 3.379 9.554 -4.614 1.00 0.00 C ATOM 607 C ASP A 44 2.505 8.418 -4.093 1.00 0.00 C ATOM 608 O ASP A 44 1.764 7.794 -4.852 1.00 0.00 O ATOM 609 CB ASP A 44 2.651 10.889 -4.455 1.00 0.00 C ATOM 610 CG ASP A 44 3.104 11.921 -5.470 1.00 0.00 C ATOM 611 OD1 ASP A 44 4.275 11.855 -5.899 1.00 0.00 O ATOM 612 OD2 ASP A 44 2.288 12.794 -5.834 1.00 0.00 O ATOM 0 H ASP A 44 3.024 9.627 -6.680 1.00 0.00 H new ATOM 0 HA ASP A 44 4.298 9.579 -4.028 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.578 10.729 -4.559 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.820 11.274 -3.449 1.00 0.00 H new ATOM 617 N ILE A 45 2.597 8.155 -2.793 1.00 0.00 N ATOM 618 CA ILE A 45 1.814 7.095 -2.171 1.00 0.00 C ATOM 619 C ILE A 45 0.444 6.966 -2.828 1.00 0.00 C ATOM 620 O ILE A 45 0.100 5.915 -3.369 1.00 0.00 O ATOM 621 CB ILE A 45 1.627 7.344 -0.663 1.00 0.00 C ATOM 622 CG1 ILE A 45 2.987 7.472 0.027 1.00 0.00 C ATOM 623 CG2 ILE A 45 0.814 6.220 -0.038 1.00 0.00 C ATOM 624 CD1 ILE A 45 3.853 6.240 -0.111 1.00 0.00 C ATOM 0 H ILE A 45 3.206 8.662 -2.151 1.00 0.00 H new ATOM 0 HA ILE A 45 2.370 6.168 -2.311 1.00 0.00 H new ATOM 0 HB ILE A 45 1.083 8.279 -0.528 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.518 8.328 -0.390 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.830 7.679 1.086 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.690 6.410 1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.165 6.171 -0.514 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.334 5.273 -0.180 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.801 6.402 0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.342 5.385 0.332 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.041 6.044 -1.167 1.00 0.00 H new ATOM 636 N ARG A 46 -0.334 8.042 -2.777 1.00 0.00 N ATOM 637 CA ARG A 46 -1.667 8.050 -3.368 1.00 0.00 C ATOM 638 C ARG A 46 -1.707 7.196 -4.631 1.00 0.00 C ATOM 639 O ARG A 46 -2.416 6.192 -4.691 1.00 0.00 O ATOM 640 CB ARG A 46 -2.095 9.482 -3.693 1.00 0.00 C ATOM 641 CG ARG A 46 -3.474 9.576 -4.328 1.00 0.00 C ATOM 642 CD ARG A 46 -3.894 11.023 -4.534 1.00 0.00 C ATOM 643 NE ARG A 46 -5.321 11.142 -4.821 1.00 0.00 N ATOM 644 CZ ARG A 46 -5.983 12.294 -4.791 1.00 0.00 C ATOM 645 NH1 ARG A 46 -5.350 13.419 -4.489 1.00 0.00 N ATOM 646 NH2 ARG A 46 -7.281 12.322 -5.064 1.00 0.00 N ATOM 0 H ARG A 46 -0.064 8.920 -2.333 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.362 7.627 -2.642 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.085 10.072 -2.777 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.363 9.927 -4.367 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.471 9.057 -5.286 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.203 9.071 -3.694 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.654 11.601 -3.641 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.322 11.453 -5.356 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.838 10.295 -5.057 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.352 13.402 -4.279 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.861 14.302 -4.467 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.772 11.459 -5.297 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.788 13.207 -5.041 1.00 0.00 H new ATOM 660 N ASN A 47 -0.942 7.602 -5.639 1.00 0.00 N ATOM 661 CA ASN A 47 -0.891 6.875 -6.902 1.00 0.00 C ATOM 662 C ASN A 47 -0.297 5.483 -6.704 1.00 0.00 C ATOM 663 O ASN A 47 -0.844 4.489 -7.183 1.00 0.00 O ATOM 664 CB ASN A 47 -0.065 7.653 -7.929 1.00 0.00 C ATOM 665 CG ASN A 47 -0.810 8.855 -8.478 1.00 0.00 C ATOM 666 OD1 ASN A 47 -1.230 8.863 -9.635 1.00 0.00 O ATOM 667 ND2 ASN A 47 -0.976 9.877 -7.647 1.00 0.00 N ATOM 0 H ASN A 47 -0.349 8.431 -5.606 1.00 0.00 H new ATOM 0 HA ASN A 47 -1.910 6.767 -7.272 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.865 7.985 -7.467 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.206 6.990 -8.751 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.469 10.713 -7.959 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.610 9.826 -6.696 1.00 0.00 H new ATOM 674 N LEU A 48 0.825 5.420 -5.996 1.00 0.00 N ATOM 675 CA LEU A 48 1.494 4.150 -5.734 1.00 0.00 C ATOM 676 C LEU A 48 0.479 3.052 -5.433 1.00 0.00 C ATOM 677 O LEU A 48 0.472 2.004 -6.080 1.00 0.00 O ATOM 678 CB LEU A 48 2.466 4.296 -4.562 1.00 0.00 C ATOM 679 CG LEU A 48 3.270 3.047 -4.198 1.00 0.00 C ATOM 680 CD1 LEU A 48 4.549 2.978 -5.018 1.00 0.00 C ATOM 681 CD2 LEU A 48 3.587 3.032 -2.710 1.00 0.00 C ATOM 0 H LEU A 48 1.291 6.233 -5.593 1.00 0.00 H new ATOM 0 HA LEU A 48 2.051 3.870 -6.628 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.165 5.099 -4.794 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.901 4.609 -3.684 1.00 0.00 H new ATOM 0 HG LEU A 48 2.666 2.169 -4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.108 2.083 -4.745 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.300 2.941 -6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.157 3.860 -4.819 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.159 2.136 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.171 3.916 -2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.658 3.033 -2.140 1.00 0.00 H new ATOM 693 N LEU A 49 -0.379 3.300 -4.450 1.00 0.00 N ATOM 694 CA LEU A 49 -1.402 2.333 -4.065 1.00 0.00 C ATOM 695 C LEU A 49 -2.112 1.773 -5.293 1.00 0.00 C ATOM 696 O LEU A 49 -2.218 0.558 -5.461 1.00 0.00 O ATOM 697 CB LEU A 49 -2.419 2.984 -3.126 1.00 0.00 C ATOM 698 CG LEU A 49 -2.106 2.896 -1.632 1.00 0.00 C ATOM 699 CD1 LEU A 49 -1.652 1.492 -1.263 1.00 0.00 C ATOM 700 CD2 LEU A 49 -1.047 3.919 -1.248 1.00 0.00 C ATOM 0 H LEU A 49 -0.387 4.162 -3.905 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.912 1.510 -3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.511 4.036 -3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.391 2.524 -3.301 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.017 3.119 -1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.434 1.449 -0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.442 0.780 -1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.754 1.240 -1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.837 3.842 -0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.134 3.727 -1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.410 4.921 -1.475 1.00 0.00 H new ATOM 712 N VAL A 50 -2.595 2.667 -6.150 1.00 0.00 N ATOM 713 CA VAL A 50 -3.292 2.262 -7.365 1.00 0.00 C ATOM 714 C VAL A 50 -2.520 1.177 -8.106 1.00 0.00 C ATOM 715 O VAL A 50 -3.092 0.174 -8.531 1.00 0.00 O ATOM 716 CB VAL A 50 -3.512 3.458 -8.311 1.00 0.00 C ATOM 717 CG1 VAL A 50 -4.120 2.994 -9.625 1.00 0.00 C ATOM 718 CG2 VAL A 50 -4.392 4.506 -7.647 1.00 0.00 C ATOM 0 H VAL A 50 -2.516 3.676 -6.025 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.261 1.868 -7.058 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.545 3.912 -8.527 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.268 3.852 -10.280 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.449 2.282 -10.105 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.080 2.514 -9.433 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.537 5.344 -8.329 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.359 4.066 -7.401 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.911 4.860 -6.735 1.00 0.00 H new ATOM 728 N TRP A 51 -1.217 1.385 -8.257 1.00 0.00 N ATOM 729 CA TRP A 51 -0.365 0.423 -8.947 1.00 0.00 C ATOM 730 C TRP A 51 -0.263 -0.878 -8.158 1.00 0.00 C ATOM 731 O TRP A 51 -0.612 -1.947 -8.660 1.00 0.00 O ATOM 732 CB TRP A 51 1.030 1.011 -9.165 1.00 0.00 C ATOM 733 CG TRP A 51 1.892 0.178 -10.065 1.00 0.00 C ATOM 734 CD1 TRP A 51 2.148 0.398 -11.388 1.00 0.00 C ATOM 735 CD2 TRP A 51 2.609 -1.008 -9.707 1.00 0.00 C ATOM 736 NE1 TRP A 51 2.981 -0.580 -11.875 1.00 0.00 N ATOM 737 CE2 TRP A 51 3.279 -1.454 -10.863 1.00 0.00 C ATOM 738 CE3 TRP A 51 2.752 -1.736 -8.523 1.00 0.00 C ATOM 739 CZ2 TRP A 51 4.077 -2.595 -10.867 1.00 0.00 C ATOM 740 CZ3 TRP A 51 3.544 -2.868 -8.528 1.00 0.00 C ATOM 741 CH2 TRP A 51 4.199 -3.289 -9.693 1.00 0.00 C ATOM 0 H TRP A 51 -0.728 2.210 -7.911 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.816 0.205 -9.915 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.933 2.010 -9.590 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.525 1.121 -8.200 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.754 1.220 -11.967 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.322 -0.645 -12.834 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.252 -1.419 -7.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.582 -2.921 -11.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.660 -3.438 -7.618 1.00 0.00 H new ATOM 0 HH2 TRP A 51 4.812 -4.178 -9.664 1.00 0.00 H new ATOM 752 N ILE A 52 0.216 -0.781 -6.923 1.00 0.00 N ATOM 753 CA ILE A 52 0.361 -1.951 -6.066 1.00 0.00 C ATOM 754 C ILE A 52 -0.984 -2.629 -5.828 1.00 0.00 C ATOM 755 O ILE A 52 -1.044 -3.792 -5.429 1.00 0.00 O ATOM 756 CB ILE A 52 0.984 -1.579 -4.707 1.00 0.00 C ATOM 757 CG1 ILE A 52 2.333 -0.887 -4.911 1.00 0.00 C ATOM 758 CG2 ILE A 52 1.144 -2.820 -3.841 1.00 0.00 C ATOM 759 CD1 ILE A 52 2.907 -0.296 -3.643 1.00 0.00 C ATOM 0 H ILE A 52 0.510 0.096 -6.493 1.00 0.00 H new ATOM 0 HA ILE A 52 1.026 -2.642 -6.585 1.00 0.00 H new ATOM 0 HB ILE A 52 0.316 -0.886 -4.195 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.043 -1.606 -5.321 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.218 -0.095 -5.651 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.585 -2.541 -2.884 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.168 -3.274 -3.672 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.794 -3.535 -4.346 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.863 0.178 -3.863 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.217 0.447 -3.243 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.055 -1.087 -2.907 1.00 0.00 H new ATOM 771 N LYS A 53 -2.063 -1.894 -6.078 1.00 0.00 N ATOM 772 CA LYS A 53 -3.409 -2.424 -5.895 1.00 0.00 C ATOM 773 C LYS A 53 -3.839 -3.246 -7.105 1.00 0.00 C ATOM 774 O LYS A 53 -4.800 -4.013 -7.038 1.00 0.00 O ATOM 775 CB LYS A 53 -4.401 -1.283 -5.661 1.00 0.00 C ATOM 776 CG LYS A 53 -4.502 -0.852 -4.208 1.00 0.00 C ATOM 777 CD LYS A 53 -5.435 0.335 -4.042 1.00 0.00 C ATOM 778 CE LYS A 53 -6.874 -0.038 -4.364 1.00 0.00 C ATOM 779 NZ LYS A 53 -7.196 0.183 -5.802 1.00 0.00 N ATOM 0 H LYS A 53 -2.031 -0.929 -6.408 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.401 -3.075 -5.021 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.105 -0.426 -6.266 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.387 -1.593 -6.009 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.861 -1.686 -3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.511 -0.592 -3.835 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.374 0.706 -3.019 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.113 1.146 -4.695 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.043 -1.085 -4.111 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.549 0.553 -3.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.938 0.907 -5.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.343 0.503 -6.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.532 -0.707 -6.223 1.00 0.00 H new ATOM 793 N LYS A 54 -3.121 -3.083 -8.212 1.00 0.00 N ATOM 794 CA LYS A 54 -3.427 -3.811 -9.437 1.00 0.00 C ATOM 795 C LYS A 54 -2.222 -4.622 -9.902 1.00 0.00 C ATOM 796 O LYS A 54 -2.242 -5.852 -9.877 1.00 0.00 O ATOM 797 CB LYS A 54 -3.858 -2.840 -10.538 1.00 0.00 C ATOM 798 CG LYS A 54 -5.192 -2.167 -10.268 1.00 0.00 C ATOM 799 CD LYS A 54 -5.914 -1.822 -11.559 1.00 0.00 C ATOM 800 CE LYS A 54 -6.913 -0.693 -11.355 1.00 0.00 C ATOM 801 NZ LYS A 54 -7.310 -0.063 -12.645 1.00 0.00 N ATOM 0 H LYS A 54 -2.323 -2.452 -8.285 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.247 -4.498 -9.227 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.091 -2.074 -10.656 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.917 -3.379 -11.483 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.817 -2.826 -9.665 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.031 -1.259 -9.686 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.187 -1.533 -12.318 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.432 -2.704 -11.934 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.799 -1.079 -10.852 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.478 0.063 -10.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.991 0.701 -12.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.468 0.328 -13.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.748 -0.778 -13.260 1.00 0.00 H new ATOM 815 N ASN A 55 -1.173 -3.925 -10.326 1.00 0.00 N ATOM 816 CA ASN A 55 0.042 -4.581 -10.796 1.00 0.00 C ATOM 817 C ASN A 55 0.470 -5.686 -9.836 1.00 0.00 C ATOM 818 O ASN A 55 0.540 -6.857 -10.211 1.00 0.00 O ATOM 819 CB ASN A 55 1.171 -3.559 -10.952 1.00 0.00 C ATOM 820 CG ASN A 55 1.069 -2.778 -12.248 1.00 0.00 C ATOM 821 OD1 ASN A 55 0.232 -1.747 -12.253 1.00 0.00 O flip ATOM 822 ND2 ASN A 55 1.735 -3.098 -13.232 1.00 0.00 N flip ATOM 0 H ASN A 55 -1.140 -2.906 -10.354 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.169 -5.030 -11.767 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.149 -2.866 -10.111 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.131 -4.074 -10.916 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.366 -3.898 -13.183 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.656 -2.563 -14.097 1.00 0.00 H new ATOM 829 N LEU A 56 0.755 -5.306 -8.595 1.00 0.00 N ATOM 830 CA LEU A 56 1.176 -6.265 -7.579 1.00 0.00 C ATOM 831 C LEU A 56 -0.010 -7.081 -7.076 1.00 0.00 C ATOM 832 O LEU A 56 -0.089 -8.288 -7.307 1.00 0.00 O ATOM 833 CB LEU A 56 1.843 -5.539 -6.410 1.00 0.00 C ATOM 834 CG LEU A 56 2.922 -6.321 -5.661 1.00 0.00 C ATOM 835 CD1 LEU A 56 4.280 -6.118 -6.316 1.00 0.00 C ATOM 836 CD2 LEU A 56 2.966 -5.904 -4.198 1.00 0.00 C ATOM 0 H LEU A 56 0.702 -4.341 -8.268 1.00 0.00 H new ATOM 0 HA LEU A 56 1.895 -6.946 -8.033 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.286 -4.617 -6.787 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.069 -5.253 -5.697 1.00 0.00 H new ATOM 0 HG LEU A 56 2.673 -7.381 -5.708 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.036 -6.682 -5.769 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.242 -6.467 -7.348 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.537 -5.059 -6.301 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.740 -6.471 -3.681 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.190 -4.839 -4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.000 -6.102 -3.734 1.00 0.00 H new ATOM 848 N LEU A 57 -0.932 -6.414 -6.390 1.00 0.00 N ATOM 849 CA LEU A 57 -2.117 -7.077 -5.856 1.00 0.00 C ATOM 850 C LEU A 57 -2.924 -7.733 -6.972 1.00 0.00 C ATOM 851 O LEU A 57 -3.377 -7.063 -7.901 1.00 0.00 O ATOM 852 CB LEU A 57 -2.990 -6.074 -5.101 1.00 0.00 C ATOM 853 CG LEU A 57 -4.390 -6.556 -4.719 1.00 0.00 C ATOM 854 CD1 LEU A 57 -4.333 -7.430 -3.476 1.00 0.00 C ATOM 855 CD2 LEU A 57 -5.320 -5.373 -4.499 1.00 0.00 C ATOM 0 H LEU A 57 -0.882 -5.415 -6.191 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.788 -7.854 -5.166 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.467 -5.781 -4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.091 -5.178 -5.713 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.784 -7.154 -5.541 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.338 -7.764 -3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.701 -8.297 -3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.918 -6.857 -2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.312 -5.735 -4.228 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.930 -4.748 -3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.386 -4.787 -5.415 1.00 0.00 H new ATOM 867 N LYS A 58 -3.102 -9.046 -6.874 1.00 0.00 N ATOM 868 CA LYS A 58 -3.857 -9.792 -7.873 1.00 0.00 C ATOM 869 C LYS A 58 -5.238 -10.167 -7.343 1.00 0.00 C ATOM 870 O LYS A 58 -6.154 -10.444 -8.116 1.00 0.00 O ATOM 871 CB LYS A 58 -3.095 -11.056 -8.280 1.00 0.00 C ATOM 872 CG LYS A 58 -1.928 -10.788 -9.214 1.00 0.00 C ATOM 873 CD LYS A 58 -2.378 -10.721 -10.664 1.00 0.00 C ATOM 874 CE LYS A 58 -2.579 -12.111 -11.249 1.00 0.00 C ATOM 875 NZ LYS A 58 -1.323 -12.650 -11.840 1.00 0.00 N ATOM 0 H LYS A 58 -2.733 -9.616 -6.112 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.983 -9.154 -8.748 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.725 -11.552 -7.383 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.786 -11.747 -8.764 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.448 -9.849 -8.937 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.181 -11.574 -9.100 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.309 -10.158 -10.732 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.636 -10.181 -11.252 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.932 -12.786 -10.469 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.354 -12.074 -12.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.501 -13.598 -12.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.999 -12.020 -12.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.590 -12.709 -11.104 1.00 0.00 H new ATOM 889 N GLU A 59 -5.378 -10.172 -6.021 1.00 0.00 N ATOM 890 CA GLU A 59 -6.647 -10.512 -5.389 1.00 0.00 C ATOM 891 C GLU A 59 -7.528 -9.275 -5.238 1.00 0.00 C ATOM 892 O GLU A 59 -7.151 -8.177 -5.648 1.00 0.00 O ATOM 893 CB GLU A 59 -6.406 -11.150 -4.020 1.00 0.00 C ATOM 894 CG GLU A 59 -6.123 -12.642 -4.085 1.00 0.00 C ATOM 895 CD GLU A 59 -5.219 -13.114 -2.963 1.00 0.00 C ATOM 896 OE1 GLU A 59 -5.574 -12.901 -1.785 1.00 0.00 O ATOM 897 OE2 GLU A 59 -4.156 -13.696 -3.264 1.00 0.00 O ATOM 0 H GLU A 59 -4.629 -9.945 -5.367 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.162 -11.228 -6.029 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.566 -10.650 -3.538 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.280 -10.982 -3.391 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.065 -13.189 -4.042 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.660 -12.879 -5.043 1.00 0.00 H new ATOM 904 N ARG A 60 -8.704 -9.462 -4.647 1.00 0.00 N ATOM 905 CA ARG A 60 -9.640 -8.363 -4.443 1.00 0.00 C ATOM 906 C ARG A 60 -9.019 -7.275 -3.571 1.00 0.00 C ATOM 907 O ARG A 60 -8.409 -7.547 -2.537 1.00 0.00 O ATOM 908 CB ARG A 60 -10.928 -8.875 -3.797 1.00 0.00 C ATOM 909 CG ARG A 60 -12.010 -9.240 -4.802 1.00 0.00 C ATOM 910 CD ARG A 60 -11.412 -9.678 -6.130 1.00 0.00 C ATOM 911 NE ARG A 60 -12.348 -10.478 -6.914 1.00 0.00 N ATOM 912 CZ ARG A 60 -12.523 -11.783 -6.743 1.00 0.00 C ATOM 913 NH1 ARG A 60 -11.828 -12.433 -5.819 1.00 0.00 N ATOM 914 NH2 ARG A 60 -13.394 -12.442 -7.496 1.00 0.00 N ATOM 0 H ARG A 60 -9.031 -10.364 -4.301 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.876 -7.934 -5.417 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.697 -9.751 -3.190 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.314 -8.112 -3.121 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.628 -10.042 -4.398 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.664 -8.383 -4.961 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -11.118 -8.798 -6.703 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.506 -10.256 -5.947 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.898 -10.008 -7.633 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.157 -11.930 -5.238 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -11.964 -13.436 -5.690 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.931 -11.946 -8.208 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.527 -13.445 -7.363 1.00 0.00 H new ATOM 928 N PRO A 61 -9.177 -6.013 -3.997 1.00 0.00 N ATOM 929 CA PRO A 61 -8.640 -4.859 -3.270 1.00 0.00 C ATOM 930 C PRO A 61 -9.370 -4.611 -1.955 1.00 0.00 C ATOM 931 O PRO A 61 -8.744 -4.437 -0.910 1.00 0.00 O ATOM 932 CB PRO A 61 -8.867 -3.694 -4.236 1.00 0.00 C ATOM 933 CG PRO A 61 -10.014 -4.123 -5.084 1.00 0.00 C ATOM 934 CD PRO A 61 -9.893 -5.615 -5.221 1.00 0.00 C ATOM 0 HA PRO A 61 -7.596 -5.003 -2.992 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.094 -2.773 -3.699 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.980 -3.501 -4.839 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.963 -3.849 -4.624 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.981 -3.638 -6.059 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.870 -6.093 -5.288 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.340 -5.893 -6.118 1.00 0.00 H new ATOM 942 N GLU A 62 -10.698 -4.595 -2.015 1.00 0.00 N ATOM 943 CA GLU A 62 -11.513 -4.368 -0.827 1.00 0.00 C ATOM 944 C GLU A 62 -10.986 -5.173 0.357 1.00 0.00 C ATOM 945 O GLU A 62 -11.240 -4.835 1.514 1.00 0.00 O ATOM 946 CB GLU A 62 -12.972 -4.741 -1.103 1.00 0.00 C ATOM 947 CG GLU A 62 -13.163 -6.195 -1.501 1.00 0.00 C ATOM 948 CD GLU A 62 -14.491 -6.442 -2.189 1.00 0.00 C ATOM 949 OE1 GLU A 62 -15.462 -5.717 -1.884 1.00 0.00 O ATOM 950 OE2 GLU A 62 -14.560 -7.360 -3.033 1.00 0.00 O ATOM 0 H GLU A 62 -11.232 -4.736 -2.873 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.457 -3.309 -0.577 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.566 -4.536 -0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.358 -4.102 -1.897 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.353 -6.495 -2.165 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -13.096 -6.823 -0.612 1.00 0.00 H new ATOM 957 N LEU A 63 -10.251 -6.238 0.060 1.00 0.00 N ATOM 958 CA LEU A 63 -9.688 -7.093 1.099 1.00 0.00 C ATOM 959 C LEU A 63 -8.463 -6.443 1.734 1.00 0.00 C ATOM 960 O LEU A 63 -8.399 -6.270 2.951 1.00 0.00 O ATOM 961 CB LEU A 63 -9.311 -8.457 0.517 1.00 0.00 C ATOM 962 CG LEU A 63 -10.407 -9.523 0.542 1.00 0.00 C ATOM 963 CD1 LEU A 63 -11.117 -9.527 1.887 1.00 0.00 C ATOM 964 CD2 LEU A 63 -11.401 -9.293 -0.587 1.00 0.00 C ATOM 0 H LEU A 63 -10.031 -6.531 -0.892 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.445 -7.231 1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.994 -8.314 -0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.449 -8.838 1.065 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.942 -10.498 0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.894 -10.292 1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.398 -9.741 2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.569 -8.551 2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.174 -10.061 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.860 -8.311 -0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.882 -9.342 -1.544 1.00 0.00 H new ATOM 976 N PHE A 64 -7.492 -6.082 0.901 1.00 0.00 N ATOM 977 CA PHE A 64 -6.269 -5.449 1.381 1.00 0.00 C ATOM 978 C PHE A 64 -6.480 -3.953 1.598 1.00 0.00 C ATOM 979 O PHE A 64 -6.406 -3.463 2.725 1.00 0.00 O ATOM 980 CB PHE A 64 -5.129 -5.676 0.386 1.00 0.00 C ATOM 981 CG PHE A 64 -3.785 -5.257 0.910 1.00 0.00 C ATOM 982 CD1 PHE A 64 -3.299 -5.773 2.101 1.00 0.00 C ATOM 983 CD2 PHE A 64 -3.007 -4.348 0.211 1.00 0.00 C ATOM 984 CE1 PHE A 64 -2.063 -5.388 2.585 1.00 0.00 C ATOM 985 CE2 PHE A 64 -1.770 -3.960 0.691 1.00 0.00 C ATOM 986 CZ PHE A 64 -1.297 -4.482 1.879 1.00 0.00 C ATOM 0 H PHE A 64 -7.528 -6.217 -0.109 1.00 0.00 H new ATOM 0 HA PHE A 64 -6.005 -5.903 2.336 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -5.094 -6.733 0.121 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.341 -5.124 -0.530 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.893 -6.484 2.657 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.371 -3.938 -0.719 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.696 -5.796 3.515 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.174 -3.249 0.138 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.330 -4.182 2.255 1.00 0.00 H new ATOM 996 N ILE A 65 -6.742 -3.235 0.511 1.00 0.00 N ATOM 997 CA ILE A 65 -6.963 -1.796 0.582 1.00 0.00 C ATOM 998 C ILE A 65 -8.273 -1.408 -0.096 1.00 0.00 C ATOM 999 O ILE A 65 -8.695 -2.043 -1.062 1.00 0.00 O ATOM 1000 CB ILE A 65 -5.808 -1.016 -0.073 1.00 0.00 C ATOM 1001 CG1 ILE A 65 -4.497 -1.285 0.669 1.00 0.00 C ATOM 1002 CG2 ILE A 65 -6.118 0.474 -0.088 1.00 0.00 C ATOM 1003 CD1 ILE A 65 -3.265 -0.928 -0.133 1.00 0.00 C ATOM 0 H ILE A 65 -6.806 -3.626 -0.429 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.012 -1.535 1.639 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.697 -1.355 -1.103 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.492 -0.717 1.599 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.452 -2.340 0.939 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.293 1.013 -0.554 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.032 0.650 -0.655 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.251 0.828 0.934 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.373 -1.145 0.455 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.246 -1.515 -1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.287 0.133 -0.381 1.00 0.00 H new ATOM 1015 N GLN A 66 -8.910 -0.359 0.416 1.00 0.00 N ATOM 1016 CA GLN A 66 -10.171 0.115 -0.141 1.00 0.00 C ATOM 1017 C GLN A 66 -10.025 1.529 -0.694 1.00 0.00 C ATOM 1018 O GLN A 66 -10.136 2.508 0.043 1.00 0.00 O ATOM 1019 CB GLN A 66 -11.268 0.081 0.924 1.00 0.00 C ATOM 1020 CG GLN A 66 -12.675 0.095 0.349 1.00 0.00 C ATOM 1021 CD GLN A 66 -13.205 -1.297 0.070 1.00 0.00 C ATOM 1022 OE1 GLN A 66 -13.026 -1.835 -1.023 1.00 0.00 O ATOM 1023 NE2 GLN A 66 -13.863 -1.890 1.060 1.00 0.00 N ATOM 0 H GLN A 66 -8.573 0.178 1.215 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.449 -0.548 -0.960 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.143 -0.813 1.534 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.147 0.938 1.586 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -13.343 0.601 1.046 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -12.680 0.674 -0.575 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -13.988 -1.408 1.950 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -14.243 -2.828 0.930 1.00 0.00 H new ATOM 1032 N GLY A 67 -9.775 1.627 -1.996 1.00 0.00 N ATOM 1033 CA GLY A 67 -9.617 2.926 -2.625 1.00 0.00 C ATOM 1034 C GLY A 67 -8.162 3.300 -2.825 1.00 0.00 C ATOM 1035 O GLY A 67 -7.272 2.463 -2.675 1.00 0.00 O ATOM 0 H GLY A 67 -9.679 0.831 -2.626 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.124 2.923 -3.590 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -10.103 3.685 -2.012 1.00 0.00 H new ATOM 1039 N ASP A 68 -7.919 4.561 -3.167 1.00 0.00 N ATOM 1040 CA ASP A 68 -6.561 5.044 -3.389 1.00 0.00 C ATOM 1041 C ASP A 68 -5.765 5.045 -2.088 1.00 0.00 C ATOM 1042 O ASP A 68 -4.536 4.972 -2.100 1.00 0.00 O ATOM 1043 CB ASP A 68 -6.589 6.452 -3.985 1.00 0.00 C ATOM 1044 CG ASP A 68 -7.804 7.244 -3.542 1.00 0.00 C ATOM 1045 OD1 ASP A 68 -8.912 6.963 -4.047 1.00 0.00 O ATOM 1046 OD2 ASP A 68 -7.648 8.143 -2.690 1.00 0.00 O ATOM 0 H ASP A 68 -8.644 5.266 -3.296 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.072 4.370 -4.092 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.685 6.985 -3.692 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.580 6.383 -5.073 1.00 0.00 H new ATOM 1051 N SER A 69 -6.473 5.130 -0.966 1.00 0.00 N ATOM 1052 CA SER A 69 -5.832 5.145 0.344 1.00 0.00 C ATOM 1053 C SER A 69 -5.855 3.757 0.976 1.00 0.00 C ATOM 1054 O SER A 69 -6.734 2.945 0.688 1.00 0.00 O ATOM 1055 CB SER A 69 -6.530 6.149 1.264 1.00 0.00 C ATOM 1056 OG SER A 69 -7.938 6.076 1.125 1.00 0.00 O ATOM 0 H SER A 69 -7.491 5.190 -0.938 1.00 0.00 H new ATOM 0 HA SER A 69 -4.793 5.446 0.210 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.253 5.951 2.300 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.190 7.158 1.030 1.00 0.00 H new ATOM 0 HG SER A 69 -8.360 6.726 1.725 1.00 0.00 H new ATOM 1062 N VAL A 70 -4.881 3.492 1.841 1.00 0.00 N ATOM 1063 CA VAL A 70 -4.788 2.203 2.516 1.00 0.00 C ATOM 1064 C VAL A 70 -5.855 2.071 3.597 1.00 0.00 C ATOM 1065 O VAL A 70 -6.083 2.997 4.375 1.00 0.00 O ATOM 1066 CB VAL A 70 -3.400 2.001 3.152 1.00 0.00 C ATOM 1067 CG1 VAL A 70 -2.322 1.958 2.079 1.00 0.00 C ATOM 1068 CG2 VAL A 70 -3.113 3.100 4.164 1.00 0.00 C ATOM 0 H VAL A 70 -4.145 4.153 2.091 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.946 1.436 1.758 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.395 1.045 3.676 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.348 1.815 2.547 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.521 1.132 1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.323 2.896 1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.128 2.942 4.604 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.136 4.069 3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.869 3.078 4.949 1.00 0.00 H new ATOM 1078 N ARG A 71 -6.505 0.913 3.640 1.00 0.00 N ATOM 1079 CA ARG A 71 -7.549 0.659 4.626 1.00 0.00 C ATOM 1080 C ARG A 71 -7.126 1.155 6.006 1.00 0.00 C ATOM 1081 O ARG A 71 -5.947 1.387 6.274 1.00 0.00 O ATOM 1082 CB ARG A 71 -7.871 -0.835 4.687 1.00 0.00 C ATOM 1083 CG ARG A 71 -8.992 -1.255 3.750 1.00 0.00 C ATOM 1084 CD ARG A 71 -9.437 -2.684 4.019 1.00 0.00 C ATOM 1085 NE ARG A 71 -10.487 -2.749 5.032 1.00 0.00 N ATOM 1086 CZ ARG A 71 -11.772 -2.530 4.774 1.00 0.00 C ATOM 1087 NH1 ARG A 71 -12.163 -2.235 3.542 1.00 0.00 N ATOM 1088 NH2 ARG A 71 -12.668 -2.608 5.749 1.00 0.00 N ATOM 0 H ARG A 71 -6.327 0.136 3.004 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.442 1.204 4.320 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.973 -1.402 4.442 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.145 -1.098 5.709 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.840 -0.580 3.870 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.657 -1.166 2.717 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.798 -3.131 3.093 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.581 -3.275 4.346 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.219 -2.975 5.990 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.477 -2.176 2.790 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.150 -2.067 3.347 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -12.371 -2.836 6.698 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -13.654 -2.440 5.550 1.00 0.00 H new ATOM 1102 N PRO A 72 -8.110 1.323 6.902 1.00 0.00 N ATOM 1103 CA PRO A 72 -7.864 1.794 8.268 1.00 0.00 C ATOM 1104 C PRO A 72 -7.135 0.756 9.116 1.00 0.00 C ATOM 1105 O PRO A 72 -6.903 0.966 10.306 1.00 0.00 O ATOM 1106 CB PRO A 72 -9.271 2.040 8.817 1.00 0.00 C ATOM 1107 CG PRO A 72 -10.151 1.140 8.021 1.00 0.00 C ATOM 1108 CD PRO A 72 -9.538 1.067 6.650 1.00 0.00 C ATOM 0 HA PRO A 72 -7.224 2.676 8.286 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.327 1.809 9.881 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -9.564 3.084 8.702 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -10.210 0.151 8.475 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.168 1.530 7.974 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.697 0.092 6.190 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.967 1.810 5.978 1.00 0.00 H new ATOM 1116 N GLY A 73 -6.777 -0.363 8.495 1.00 0.00 N ATOM 1117 CA GLY A 73 -6.079 -1.417 9.209 1.00 0.00 C ATOM 1118 C GLY A 73 -4.678 -1.646 8.677 1.00 0.00 C ATOM 1119 O GLY A 73 -3.756 -1.931 9.441 1.00 0.00 O ATOM 0 H GLY A 73 -6.958 -0.559 7.510 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.026 -1.161 10.267 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.649 -2.343 9.133 1.00 0.00 H new ATOM 1123 N ILE A 74 -4.518 -1.524 7.363 1.00 0.00 N ATOM 1124 CA ILE A 74 -3.220 -1.721 6.731 1.00 0.00 C ATOM 1125 C ILE A 74 -2.231 -0.641 7.156 1.00 0.00 C ATOM 1126 O ILE A 74 -2.390 0.531 6.812 1.00 0.00 O ATOM 1127 CB ILE A 74 -3.336 -1.720 5.195 1.00 0.00 C ATOM 1128 CG1 ILE A 74 -4.473 -2.640 4.747 1.00 0.00 C ATOM 1129 CG2 ILE A 74 -2.020 -2.150 4.564 1.00 0.00 C ATOM 1130 CD1 ILE A 74 -4.256 -4.092 5.111 1.00 0.00 C ATOM 0 H ILE A 74 -5.271 -1.290 6.716 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.854 -2.694 7.059 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.562 -0.707 4.863 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.405 -2.297 5.196 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.591 -2.559 3.666 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.118 -2.144 3.478 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.231 -1.459 4.861 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.767 -3.155 4.900 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.102 -4.685 4.762 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.341 -4.452 4.640 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.168 -4.187 6.193 1.00 0.00 H new ATOM 1142 N LEU A 75 -1.210 -1.042 7.904 1.00 0.00 N ATOM 1143 CA LEU A 75 -0.193 -0.109 8.376 1.00 0.00 C ATOM 1144 C LEU A 75 1.002 -0.082 7.429 1.00 0.00 C ATOM 1145 O LEU A 75 1.721 -1.072 7.291 1.00 0.00 O ATOM 1146 CB LEU A 75 0.266 -0.492 9.784 1.00 0.00 C ATOM 1147 CG LEU A 75 -0.630 -0.025 10.932 1.00 0.00 C ATOM 1148 CD1 LEU A 75 -0.289 -0.771 12.212 1.00 0.00 C ATOM 1149 CD2 LEU A 75 -0.497 1.477 11.136 1.00 0.00 C ATOM 0 H LEU A 75 -1.064 -2.008 8.197 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.634 0.887 8.404 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.351 -1.578 9.834 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.265 -0.087 9.942 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.665 -0.245 10.672 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.937 -0.426 13.018 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.437 -1.840 12.060 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.751 -0.583 12.477 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.142 1.791 11.957 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.538 1.722 11.374 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.792 1.996 10.224 1.00 0.00 H new ATOM 1161 N VAL A 76 1.210 1.059 6.778 1.00 0.00 N ATOM 1162 CA VAL A 76 2.320 1.216 5.847 1.00 0.00 C ATOM 1163 C VAL A 76 3.513 1.885 6.521 1.00 0.00 C ATOM 1164 O VAL A 76 3.367 2.553 7.545 1.00 0.00 O ATOM 1165 CB VAL A 76 1.908 2.047 4.617 1.00 0.00 C ATOM 1166 CG1 VAL A 76 0.665 1.458 3.967 1.00 0.00 C ATOM 1167 CG2 VAL A 76 1.677 3.499 5.008 1.00 0.00 C ATOM 0 H VAL A 76 0.624 1.888 6.879 1.00 0.00 H new ATOM 0 HA VAL A 76 2.604 0.215 5.522 1.00 0.00 H new ATOM 0 HB VAL A 76 2.720 2.015 3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.389 2.058 3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.870 0.435 3.650 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.156 1.458 4.685 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.387 4.071 4.127 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.884 3.553 5.754 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.595 3.914 5.424 1.00 0.00 H new ATOM 1177 N LEU A 77 4.693 1.702 5.939 1.00 0.00 N ATOM 1178 CA LEU A 77 5.913 2.288 6.483 1.00 0.00 C ATOM 1179 C LEU A 77 6.931 2.552 5.378 1.00 0.00 C ATOM 1180 O LEU A 77 7.275 1.653 4.611 1.00 0.00 O ATOM 1181 CB LEU A 77 6.520 1.364 7.540 1.00 0.00 C ATOM 1182 CG LEU A 77 6.049 1.588 8.978 1.00 0.00 C ATOM 1183 CD1 LEU A 77 6.084 0.284 9.760 1.00 0.00 C ATOM 1184 CD2 LEU A 77 6.905 2.644 9.661 1.00 0.00 C ATOM 0 H LEU A 77 4.831 1.153 5.091 1.00 0.00 H new ATOM 0 HA LEU A 77 5.653 3.239 6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.299 0.333 7.263 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.604 1.476 7.512 1.00 0.00 H new ATOM 0 HG LEU A 77 5.019 1.945 8.951 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.746 0.463 10.781 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.428 -0.444 9.283 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.103 -0.102 9.778 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.556 2.790 10.683 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.944 2.316 9.676 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.829 3.584 9.114 1.00 0.00 H new ATOM 1196 N ILE A 78 7.409 3.790 5.304 1.00 0.00 N ATOM 1197 CA ILE A 78 8.389 4.170 4.295 1.00 0.00 C ATOM 1198 C ILE A 78 9.800 4.175 4.873 1.00 0.00 C ATOM 1199 O ILE A 78 10.100 4.930 5.797 1.00 0.00 O ATOM 1200 CB ILE A 78 8.082 5.561 3.708 1.00 0.00 C ATOM 1201 CG1 ILE A 78 6.675 5.585 3.107 1.00 0.00 C ATOM 1202 CG2 ILE A 78 9.119 5.933 2.658 1.00 0.00 C ATOM 1203 CD1 ILE A 78 6.055 6.964 3.077 1.00 0.00 C ATOM 0 H ILE A 78 7.133 4.546 5.931 1.00 0.00 H new ATOM 0 HA ILE A 78 8.327 3.427 3.500 1.00 0.00 H new ATOM 0 HB ILE A 78 8.126 6.297 4.511 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.716 5.191 2.091 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.032 4.919 3.682 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.889 6.918 2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 78 10.109 5.951 3.114 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.103 5.197 1.854 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.059 6.906 2.639 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.982 7.352 4.093 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.677 7.629 2.478 1.00 0.00 H new ATOM 1215 N ASN A 79 10.663 3.329 4.320 1.00 0.00 N ATOM 1216 CA ASN A 79 12.044 3.237 4.781 1.00 0.00 C ATOM 1217 C ASN A 79 12.104 3.128 6.301 1.00 0.00 C ATOM 1218 O ASN A 79 12.883 3.824 6.953 1.00 0.00 O ATOM 1219 CB ASN A 79 12.842 4.456 4.313 1.00 0.00 C ATOM 1220 CG ASN A 79 13.389 4.285 2.910 1.00 0.00 C ATOM 1221 OD1 ASN A 79 14.196 3.392 2.650 1.00 0.00 O ATOM 1222 ND2 ASN A 79 12.952 5.144 1.996 1.00 0.00 N ATOM 0 H ASN A 79 10.431 2.698 3.553 1.00 0.00 H new ATOM 0 HA ASN A 79 12.485 2.337 4.353 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.204 5.339 4.346 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.667 4.633 5.003 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.286 5.079 1.034 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.283 5.869 2.256 1.00 0.00 H new ATOM 1229 N ASP A 80 11.279 2.249 6.859 1.00 0.00 N ATOM 1230 CA ASP A 80 11.239 2.047 8.303 1.00 0.00 C ATOM 1231 C ASP A 80 10.891 3.346 9.024 1.00 0.00 C ATOM 1232 O ASP A 80 11.512 3.696 10.027 1.00 0.00 O ATOM 1233 CB ASP A 80 12.583 1.516 8.802 1.00 0.00 C ATOM 1234 CG ASP A 80 12.607 1.323 10.306 1.00 0.00 C ATOM 1235 OD1 ASP A 80 11.827 0.488 10.809 1.00 0.00 O ATOM 1236 OD2 ASP A 80 13.407 2.007 10.978 1.00 0.00 O ATOM 0 H ASP A 80 10.629 1.665 6.333 1.00 0.00 H new ATOM 0 HA ASP A 80 10.464 1.313 8.521 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.799 0.566 8.313 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.374 2.209 8.515 1.00 0.00 H new ATOM 1241 N ALA A 81 9.895 4.057 8.505 1.00 0.00 N ATOM 1242 CA ALA A 81 9.465 5.316 9.099 1.00 0.00 C ATOM 1243 C ALA A 81 7.987 5.574 8.828 1.00 0.00 C ATOM 1244 O ALA A 81 7.574 5.724 7.678 1.00 0.00 O ATOM 1245 CB ALA A 81 10.309 6.466 8.570 1.00 0.00 C ATOM 0 H ALA A 81 9.371 3.782 7.674 1.00 0.00 H new ATOM 0 HA ALA A 81 9.603 5.245 10.178 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.976 7.400 9.023 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.356 6.294 8.820 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.201 6.529 7.487 1.00 0.00 H new ATOM 1251 N ASP A 82 7.194 5.624 9.893 1.00 0.00 N ATOM 1252 CA ASP A 82 5.761 5.864 9.769 1.00 0.00 C ATOM 1253 C ASP A 82 5.472 6.858 8.648 1.00 0.00 C ATOM 1254 O ASP A 82 5.976 7.981 8.655 1.00 0.00 O ATOM 1255 CB ASP A 82 5.194 6.387 11.090 1.00 0.00 C ATOM 1256 CG ASP A 82 4.723 5.270 12.000 1.00 0.00 C ATOM 1257 OD1 ASP A 82 3.717 4.612 11.660 1.00 0.00 O ATOM 1258 OD2 ASP A 82 5.360 5.053 13.053 1.00 0.00 O ATOM 0 H ASP A 82 7.520 5.501 10.852 1.00 0.00 H new ATOM 0 HA ASP A 82 5.278 4.918 9.525 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.957 6.972 11.603 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.361 7.059 10.884 1.00 0.00 H new ATOM 1263 N TRP A 83 4.658 6.436 7.687 1.00 0.00 N ATOM 1264 CA TRP A 83 4.302 7.289 6.559 1.00 0.00 C ATOM 1265 C TRP A 83 3.490 8.494 7.021 1.00 0.00 C ATOM 1266 O TRP A 83 3.573 9.571 6.434 1.00 0.00 O ATOM 1267 CB TRP A 83 3.510 6.493 5.520 1.00 0.00 C ATOM 1268 CG TRP A 83 2.122 6.150 5.968 1.00 0.00 C ATOM 1269 CD1 TRP A 83 1.740 5.733 7.211 1.00 0.00 C ATOM 1270 CD2 TRP A 83 0.931 6.192 5.174 1.00 0.00 C ATOM 1271 NE1 TRP A 83 0.384 5.514 7.239 1.00 0.00 N ATOM 1272 CE2 TRP A 83 -0.136 5.789 6.002 1.00 0.00 C ATOM 1273 CE3 TRP A 83 0.661 6.533 3.846 1.00 0.00 C ATOM 1274 CZ2 TRP A 83 -1.448 5.718 5.542 1.00 0.00 C ATOM 1275 CZ3 TRP A 83 -0.642 6.461 3.392 1.00 0.00 C ATOM 1276 CH2 TRP A 83 -1.683 6.057 4.238 1.00 0.00 C ATOM 0 H TRP A 83 4.232 5.509 7.666 1.00 0.00 H new ATOM 0 HA TRP A 83 5.225 7.649 6.104 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.454 7.069 4.596 1.00 0.00 H new ATOM 0 HB3 TRP A 83 4.048 5.573 5.290 1.00 0.00 H new ATOM 0 HD1 TRP A 83 2.407 5.595 8.050 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -0.149 5.198 8.049 1.00 0.00 H new ATOM 0 HE3 TRP A 83 1.456 6.847 3.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -2.252 5.406 6.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.862 6.721 2.367 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.691 6.012 3.853 1.00 0.00 H new ATOM 1287 N GLU A 84 2.705 8.303 8.077 1.00 0.00 N ATOM 1288 CA GLU A 84 1.878 9.375 8.617 1.00 0.00 C ATOM 1289 C GLU A 84 2.743 10.499 9.180 1.00 0.00 C ATOM 1290 O GLU A 84 2.301 11.644 9.289 1.00 0.00 O ATOM 1291 CB GLU A 84 0.951 8.834 9.708 1.00 0.00 C ATOM 1292 CG GLU A 84 1.616 7.821 10.624 1.00 0.00 C ATOM 1293 CD GLU A 84 0.981 7.775 12.001 1.00 0.00 C ATOM 1294 OE1 GLU A 84 1.072 8.785 12.729 1.00 0.00 O ATOM 1295 OE2 GLU A 84 0.395 6.729 12.350 1.00 0.00 O ATOM 0 H GLU A 84 2.625 7.416 8.575 1.00 0.00 H new ATOM 0 HA GLU A 84 1.274 9.778 7.804 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.584 9.667 10.307 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.082 8.372 9.239 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.559 6.832 10.168 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.673 8.066 10.724 1.00 0.00 H new ATOM 1302 N LEU A 85 3.977 10.164 9.538 1.00 0.00 N ATOM 1303 CA LEU A 85 4.906 11.144 10.091 1.00 0.00 C ATOM 1304 C LEU A 85 5.539 11.980 8.983 1.00 0.00 C ATOM 1305 O LEU A 85 5.966 13.113 9.212 1.00 0.00 O ATOM 1306 CB LEU A 85 5.996 10.442 10.902 1.00 0.00 C ATOM 1307 CG LEU A 85 5.698 10.232 12.387 1.00 0.00 C ATOM 1308 CD1 LEU A 85 4.459 9.369 12.566 1.00 0.00 C ATOM 1309 CD2 LEU A 85 6.894 9.603 13.087 1.00 0.00 C ATOM 0 H LEU A 85 4.358 9.221 9.456 1.00 0.00 H new ATOM 0 HA LEU A 85 4.345 11.809 10.748 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.188 9.469 10.449 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.915 11.021 10.815 1.00 0.00 H new ATOM 0 HG LEU A 85 5.507 11.204 12.841 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.263 9.230 13.629 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.604 9.859 12.100 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.621 8.398 12.097 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.664 9.461 14.143 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.117 8.638 12.631 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.759 10.259 12.989 1.00 0.00 H new ATOM 1321 N LEU A 86 5.595 11.416 7.782 1.00 0.00 N ATOM 1322 CA LEU A 86 6.174 12.110 6.637 1.00 0.00 C ATOM 1323 C LEU A 86 5.083 12.714 5.758 1.00 0.00 C ATOM 1324 O LEU A 86 4.937 13.933 5.682 1.00 0.00 O ATOM 1325 CB LEU A 86 7.033 11.149 5.814 1.00 0.00 C ATOM 1326 CG LEU A 86 7.828 10.111 6.608 1.00 0.00 C ATOM 1327 CD1 LEU A 86 8.015 8.842 5.791 1.00 0.00 C ATOM 1328 CD2 LEU A 86 9.174 10.680 7.031 1.00 0.00 C ATOM 0 H LEU A 86 5.247 10.480 7.575 1.00 0.00 H new ATOM 0 HA LEU A 86 6.802 12.918 7.013 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.384 10.623 5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.733 11.737 5.220 1.00 0.00 H new ATOM 0 HG LEU A 86 7.265 9.859 7.506 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.583 8.115 6.372 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.040 8.424 5.540 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.556 9.076 4.874 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.726 9.928 7.595 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.745 10.961 6.146 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.017 11.559 7.656 1.00 0.00 H new ATOM 1340 N GLY A 87 4.317 11.851 5.097 1.00 0.00 N ATOM 1341 CA GLY A 87 3.248 12.319 4.234 1.00 0.00 C ATOM 1342 C GLY A 87 2.404 11.183 3.690 1.00 0.00 C ATOM 1343 O GLY A 87 2.702 10.632 2.631 1.00 0.00 O ATOM 0 H GLY A 87 4.418 10.837 5.144 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.611 13.007 4.790 1.00 0.00 H new ATOM 0 HA3 GLY A 87 3.675 12.881 3.403 1.00 0.00 H new ATOM 1347 N GLU A 88 1.348 10.832 4.418 1.00 0.00 N ATOM 1348 CA GLU A 88 0.460 9.753 4.002 1.00 0.00 C ATOM 1349 C GLU A 88 0.339 9.702 2.482 1.00 0.00 C ATOM 1350 O GLU A 88 0.928 8.839 1.830 1.00 0.00 O ATOM 1351 CB GLU A 88 -0.925 9.932 4.629 1.00 0.00 C ATOM 1352 CG GLU A 88 -0.923 9.840 6.145 1.00 0.00 C ATOM 1353 CD GLU A 88 -0.685 11.181 6.811 1.00 0.00 C ATOM 1354 OE1 GLU A 88 -0.639 12.200 6.091 1.00 0.00 O ATOM 1355 OE2 GLU A 88 -0.543 11.212 8.051 1.00 0.00 O ATOM 0 H GLU A 88 1.087 11.279 5.297 1.00 0.00 H new ATOM 0 HA GLU A 88 0.889 8.812 4.346 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.326 10.901 4.333 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.597 9.173 4.228 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.878 9.436 6.482 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.150 9.139 6.462 1.00 0.00 H new ATOM 1362 N LEU A 89 -0.428 10.632 1.924 1.00 0.00 N ATOM 1363 CA LEU A 89 -0.627 10.694 0.480 1.00 0.00 C ATOM 1364 C LEU A 89 0.116 11.882 -0.122 1.00 0.00 C ATOM 1365 O LEU A 89 0.207 12.017 -1.342 1.00 0.00 O ATOM 1366 CB LEU A 89 -2.119 10.794 0.155 1.00 0.00 C ATOM 1367 CG LEU A 89 -3.006 9.687 0.727 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -4.475 10.063 0.604 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -2.731 8.366 0.024 1.00 0.00 C ATOM 0 H LEU A 89 -0.922 11.353 2.449 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.226 9.779 0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.487 11.752 0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.235 10.801 -0.929 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.770 9.569 1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.091 9.264 1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.662 10.985 1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.726 10.210 -0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.371 7.590 0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.939 8.470 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.686 8.090 0.165 1.00 0.00 H new ATOM 1381 N ASP A 90 0.649 12.739 0.742 1.00 0.00 N ATOM 1382 CA ASP A 90 1.389 13.914 0.297 1.00 0.00 C ATOM 1383 C ASP A 90 2.841 13.559 -0.005 1.00 0.00 C ATOM 1384 O ASP A 90 3.506 14.236 -0.791 1.00 0.00 O ATOM 1385 CB ASP A 90 1.329 15.013 1.358 1.00 0.00 C ATOM 1386 CG ASP A 90 1.748 16.366 0.815 1.00 0.00 C ATOM 1387 OD1 ASP A 90 1.284 16.732 -0.285 1.00 0.00 O ATOM 1388 OD2 ASP A 90 2.540 17.057 1.489 1.00 0.00 O ATOM 0 H ASP A 90 0.582 12.642 1.755 1.00 0.00 H new ATOM 0 HA ASP A 90 0.925 14.280 -0.619 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.314 15.081 1.750 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.976 14.744 2.193 1.00 0.00 H new ATOM 1393 N TYR A 91 3.329 12.496 0.625 1.00 0.00 N ATOM 1394 CA TYR A 91 4.704 12.054 0.427 1.00 0.00 C ATOM 1395 C TYR A 91 4.917 11.558 -1.000 1.00 0.00 C ATOM 1396 O TYR A 91 4.052 10.896 -1.573 1.00 0.00 O ATOM 1397 CB TYR A 91 5.054 10.946 1.422 1.00 0.00 C ATOM 1398 CG TYR A 91 6.519 10.574 1.423 1.00 0.00 C ATOM 1399 CD1 TYR A 91 7.068 9.829 0.387 1.00 0.00 C ATOM 1400 CD2 TYR A 91 7.355 10.967 2.461 1.00 0.00 C ATOM 1401 CE1 TYR A 91 8.406 9.486 0.384 1.00 0.00 C ATOM 1402 CE2 TYR A 91 8.695 10.630 2.466 1.00 0.00 C ATOM 1403 CZ TYR A 91 9.216 9.890 1.425 1.00 0.00 C ATOM 1404 OH TYR A 91 10.549 9.551 1.427 1.00 0.00 O ATOM 0 H TYR A 91 2.792 11.924 1.277 1.00 0.00 H new ATOM 0 HA TYR A 91 5.361 12.907 0.597 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.768 11.266 2.424 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.463 10.060 1.189 1.00 0.00 H new ATOM 0 HD1 TYR A 91 6.437 9.512 -0.431 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.950 11.546 3.278 1.00 0.00 H new ATOM 0 HE1 TYR A 91 8.816 8.905 -0.429 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.331 10.944 3.280 1.00 0.00 H new ATOM 0 HH TYR A 91 10.978 9.914 2.230 1.00 0.00 H new ATOM 1414 N GLN A 92 6.074 11.884 -1.566 1.00 0.00 N ATOM 1415 CA GLN A 92 6.401 11.472 -2.926 1.00 0.00 C ATOM 1416 C GLN A 92 7.556 10.476 -2.930 1.00 0.00 C ATOM 1417 O GLN A 92 8.698 10.832 -2.637 1.00 0.00 O ATOM 1418 CB GLN A 92 6.760 12.690 -3.779 1.00 0.00 C ATOM 1419 CG GLN A 92 5.733 13.809 -3.703 1.00 0.00 C ATOM 1420 CD GLN A 92 6.159 15.045 -4.471 1.00 0.00 C ATOM 1421 OE1 GLN A 92 7.331 15.425 -4.458 1.00 0.00 O ATOM 1422 NE2 GLN A 92 5.208 15.679 -5.146 1.00 0.00 N ATOM 0 H GLN A 92 6.800 12.432 -1.105 1.00 0.00 H new ATOM 0 HA GLN A 92 5.523 10.985 -3.352 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.729 13.074 -3.459 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.868 12.377 -4.817 1.00 0.00 H new ATOM 0 HG2 GLN A 92 4.782 13.451 -4.097 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.567 14.074 -2.659 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.250 15.329 -5.129 1.00 0.00 H new ATOM 0 HE22 GLN A 92 5.435 16.517 -5.682 1.00 0.00 H new ATOM 1431 N LEU A 93 7.252 9.226 -3.264 1.00 0.00 N ATOM 1432 CA LEU A 93 8.265 8.178 -3.306 1.00 0.00 C ATOM 1433 C LEU A 93 9.309 8.471 -4.379 1.00 0.00 C ATOM 1434 O LEU A 93 8.968 8.778 -5.521 1.00 0.00 O ATOM 1435 CB LEU A 93 7.612 6.820 -3.571 1.00 0.00 C ATOM 1436 CG LEU A 93 6.749 6.258 -2.441 1.00 0.00 C ATOM 1437 CD1 LEU A 93 6.368 4.814 -2.728 1.00 0.00 C ATOM 1438 CD2 LEU A 93 7.478 6.365 -1.110 1.00 0.00 C ATOM 0 H LEU A 93 6.312 8.914 -3.509 1.00 0.00 H new ATOM 0 HA LEU A 93 8.764 8.152 -2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.994 6.905 -4.465 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.398 6.099 -3.794 1.00 0.00 H new ATOM 0 HG LEU A 93 5.834 6.848 -2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 93 5.754 4.431 -1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 93 5.806 4.765 -3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.271 4.210 -2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 93 6.849 5.960 -0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.409 5.800 -1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.699 7.411 -0.899 1.00 0.00 H new ATOM 1450 N GLN A 94 10.580 8.373 -4.003 1.00 0.00 N ATOM 1451 CA GLN A 94 11.673 8.627 -4.935 1.00 0.00 C ATOM 1452 C GLN A 94 12.244 7.319 -5.473 1.00 0.00 C ATOM 1453 O GLN A 94 11.732 6.239 -5.178 1.00 0.00 O ATOM 1454 CB GLN A 94 12.776 9.435 -4.251 1.00 0.00 C ATOM 1455 CG GLN A 94 12.320 10.804 -3.771 1.00 0.00 C ATOM 1456 CD GLN A 94 12.314 11.838 -4.879 1.00 0.00 C ATOM 1457 OE1 GLN A 94 11.912 11.554 -6.008 1.00 0.00 O ATOM 1458 NE2 GLN A 94 12.762 13.048 -4.562 1.00 0.00 N ATOM 0 H GLN A 94 10.878 8.120 -3.061 1.00 0.00 H new ATOM 0 HA GLN A 94 11.277 9.202 -5.773 1.00 0.00 H new ATOM 0 HB2 GLN A 94 13.155 8.869 -3.400 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.606 9.561 -4.946 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.318 10.722 -3.350 1.00 0.00 H new ATOM 0 HG3 GLN A 94 12.976 11.141 -2.968 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.086 13.240 -3.614 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.782 13.785 -5.267 1.00 0.00 H new ATOM 1467 N ASP A 95 13.306 7.424 -6.264 1.00 0.00 N ATOM 1468 CA ASP A 95 13.947 6.250 -6.843 1.00 0.00 C ATOM 1469 C ASP A 95 14.658 5.433 -5.768 1.00 0.00 C ATOM 1470 O ASP A 95 15.253 5.989 -4.846 1.00 0.00 O ATOM 1471 CB ASP A 95 14.944 6.668 -7.925 1.00 0.00 C ATOM 1472 CG ASP A 95 16.091 7.488 -7.370 1.00 0.00 C ATOM 1473 OD1 ASP A 95 15.865 8.246 -6.404 1.00 0.00 O ATOM 1474 OD2 ASP A 95 17.215 7.373 -7.902 1.00 0.00 O ATOM 0 H ASP A 95 13.741 8.311 -6.519 1.00 0.00 H new ATOM 0 HA ASP A 95 13.172 5.629 -7.293 1.00 0.00 H new ATOM 0 HB2 ASP A 95 15.341 5.778 -8.413 1.00 0.00 H new ATOM 0 HB3 ASP A 95 14.425 7.246 -8.690 1.00 0.00 H new ATOM 1479 N GLN A 96 14.590 4.111 -5.895 1.00 0.00 N ATOM 1480 CA GLN A 96 15.226 3.219 -4.933 1.00 0.00 C ATOM 1481 C GLN A 96 14.661 3.436 -3.533 1.00 0.00 C ATOM 1482 O GLN A 96 15.409 3.572 -2.565 1.00 0.00 O ATOM 1483 CB GLN A 96 16.740 3.438 -4.925 1.00 0.00 C ATOM 1484 CG GLN A 96 17.382 3.305 -6.296 1.00 0.00 C ATOM 1485 CD GLN A 96 17.113 1.958 -6.937 1.00 0.00 C ATOM 1486 OE1 GLN A 96 17.239 0.915 -6.295 1.00 0.00 O ATOM 1487 NE2 GLN A 96 16.740 1.972 -8.212 1.00 0.00 N ATOM 0 H GLN A 96 14.102 3.635 -6.654 1.00 0.00 H new ATOM 0 HA GLN A 96 15.017 2.193 -5.234 1.00 0.00 H new ATOM 0 HB2 GLN A 96 16.953 4.431 -4.528 1.00 0.00 H new ATOM 0 HB3 GLN A 96 17.199 2.719 -4.247 1.00 0.00 H new ATOM 0 HG2 GLN A 96 17.007 4.095 -6.947 1.00 0.00 H new ATOM 0 HG3 GLN A 96 18.458 3.452 -6.205 1.00 0.00 H new ATOM 0 HE21 GLN A 96 16.648 2.859 -8.707 1.00 0.00 H new ATOM 0 HE22 GLN A 96 16.546 1.096 -8.696 1.00 0.00 H new ATOM 1496 N ASP A 97 13.336 3.467 -3.434 1.00 0.00 N ATOM 1497 CA ASP A 97 12.671 3.666 -2.152 1.00 0.00 C ATOM 1498 C ASP A 97 12.122 2.349 -1.614 1.00 0.00 C ATOM 1499 O ASP A 97 11.666 1.497 -2.376 1.00 0.00 O ATOM 1500 CB ASP A 97 11.538 4.685 -2.294 1.00 0.00 C ATOM 1501 CG ASP A 97 11.299 5.466 -1.017 1.00 0.00 C ATOM 1502 OD1 ASP A 97 10.659 4.916 -0.097 1.00 0.00 O ATOM 1503 OD2 ASP A 97 11.750 6.628 -0.938 1.00 0.00 O ATOM 0 H ASP A 97 12.702 3.357 -4.226 1.00 0.00 H new ATOM 0 HA ASP A 97 13.407 4.048 -1.444 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.775 5.378 -3.101 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.621 4.168 -2.577 1.00 0.00 H new ATOM 1508 N SER A 98 12.169 2.188 -0.295 1.00 0.00 N ATOM 1509 CA SER A 98 11.681 0.972 0.345 1.00 0.00 C ATOM 1510 C SER A 98 10.364 1.231 1.070 1.00 0.00 C ATOM 1511 O SER A 98 10.247 2.180 1.846 1.00 0.00 O ATOM 1512 CB SER A 98 12.722 0.436 1.330 1.00 0.00 C ATOM 1513 OG SER A 98 14.013 0.413 0.745 1.00 0.00 O ATOM 0 H SER A 98 12.540 2.885 0.351 1.00 0.00 H new ATOM 0 HA SER A 98 11.508 0.226 -0.431 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.736 1.059 2.224 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.444 -0.570 1.646 1.00 0.00 H new ATOM 0 HG SER A 98 14.661 0.068 1.395 1.00 0.00 H new ATOM 1519 N ILE A 99 9.377 0.380 0.812 1.00 0.00 N ATOM 1520 CA ILE A 99 8.069 0.516 1.441 1.00 0.00 C ATOM 1521 C ILE A 99 7.690 -0.751 2.201 1.00 0.00 C ATOM 1522 O ILE A 99 8.173 -1.841 1.892 1.00 0.00 O ATOM 1523 CB ILE A 99 6.974 0.824 0.402 1.00 0.00 C ATOM 1524 CG1 ILE A 99 7.515 1.765 -0.677 1.00 0.00 C ATOM 1525 CG2 ILE A 99 5.756 1.433 1.081 1.00 0.00 C ATOM 1526 CD1 ILE A 99 7.916 3.124 -0.148 1.00 0.00 C ATOM 0 H ILE A 99 9.458 -0.410 0.172 1.00 0.00 H new ATOM 0 HA ILE A 99 8.140 1.349 2.140 1.00 0.00 H new ATOM 0 HB ILE A 99 6.672 -0.109 -0.074 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.378 1.300 -1.153 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.756 1.894 -1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.991 1.645 0.334 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.361 0.732 1.816 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.042 2.359 1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 99 8.290 3.738 -0.968 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.050 3.609 0.303 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.697 3.006 0.603 1.00 0.00 H new ATOM 1538 N LEU A 100 6.822 -0.601 3.194 1.00 0.00 N ATOM 1539 CA LEU A 100 6.375 -1.733 3.998 1.00 0.00 C ATOM 1540 C LEU A 100 4.883 -1.633 4.299 1.00 0.00 C ATOM 1541 O LEU A 100 4.325 -0.538 4.368 1.00 0.00 O ATOM 1542 CB LEU A 100 7.167 -1.800 5.305 1.00 0.00 C ATOM 1543 CG LEU A 100 6.840 -2.974 6.229 1.00 0.00 C ATOM 1544 CD1 LEU A 100 7.222 -4.292 5.574 1.00 0.00 C ATOM 1545 CD2 LEU A 100 7.551 -2.815 7.565 1.00 0.00 C ATOM 0 H LEU A 100 6.413 0.294 3.462 1.00 0.00 H new ATOM 0 HA LEU A 100 6.551 -2.644 3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.229 -1.840 5.061 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.001 -0.874 5.855 1.00 0.00 H new ATOM 0 HG LEU A 100 5.765 -2.980 6.410 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.982 -5.116 6.246 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.667 -4.410 4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.291 -4.297 5.362 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.307 -3.659 8.210 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.628 -2.782 7.402 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.228 -1.889 8.041 1.00 0.00 H new ATOM 1557 N PHE A 101 4.243 -2.784 4.479 1.00 0.00 N ATOM 1558 CA PHE A 101 2.815 -2.826 4.774 1.00 0.00 C ATOM 1559 C PHE A 101 2.487 -3.986 5.709 1.00 0.00 C ATOM 1560 O PHE A 101 2.966 -5.105 5.520 1.00 0.00 O ATOM 1561 CB PHE A 101 2.009 -2.956 3.480 1.00 0.00 C ATOM 1562 CG PHE A 101 2.365 -1.926 2.446 1.00 0.00 C ATOM 1563 CD1 PHE A 101 3.595 -1.961 1.809 1.00 0.00 C ATOM 1564 CD2 PHE A 101 1.469 -0.923 2.111 1.00 0.00 C ATOM 1565 CE1 PHE A 101 3.925 -1.014 0.858 1.00 0.00 C ATOM 1566 CE2 PHE A 101 1.794 0.026 1.161 1.00 0.00 C ATOM 1567 CZ PHE A 101 3.023 -0.020 0.533 1.00 0.00 C ATOM 0 H PHE A 101 4.690 -3.699 4.426 1.00 0.00 H new ATOM 0 HA PHE A 101 2.544 -1.894 5.271 1.00 0.00 H new ATOM 0 HB2 PHE A 101 2.167 -3.950 3.061 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.947 -2.874 3.713 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.304 -2.737 2.058 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.506 -0.883 2.598 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.887 -1.051 0.369 1.00 0.00 H new ATOM 0 HE2 PHE A 101 1.087 0.803 0.910 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.278 0.720 -0.211 1.00 0.00 H new ATOM 1577 N ILE A 102 1.669 -3.711 6.719 1.00 0.00 N ATOM 1578 CA ILE A 102 1.276 -4.731 7.684 1.00 0.00 C ATOM 1579 C ILE A 102 -0.238 -4.906 7.713 1.00 0.00 C ATOM 1580 O ILE A 102 -0.985 -3.930 7.789 1.00 0.00 O ATOM 1581 CB ILE A 102 1.769 -4.385 9.101 1.00 0.00 C ATOM 1582 CG1 ILE A 102 3.277 -4.620 9.212 1.00 0.00 C ATOM 1583 CG2 ILE A 102 1.021 -5.209 10.138 1.00 0.00 C ATOM 1584 CD1 ILE A 102 4.106 -3.412 8.837 1.00 0.00 C ATOM 0 H ILE A 102 1.265 -2.790 6.891 1.00 0.00 H new ATOM 0 HA ILE A 102 1.741 -5.664 7.364 1.00 0.00 H new ATOM 0 HB ILE A 102 1.570 -3.330 9.291 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.517 -4.912 10.234 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.555 -5.455 8.569 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.381 -4.953 11.135 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -0.046 -4.996 10.071 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.191 -6.269 9.952 1.00 0.00 H new ATOM 0 HD11 ILE A 102 5.165 -3.651 8.939 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.895 -3.132 7.805 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.857 -2.581 9.496 1.00 0.00 H new ATOM 1596 N SER A 103 -0.685 -6.156 7.653 1.00 0.00 N ATOM 1597 CA SER A 103 -2.111 -6.460 7.671 1.00 0.00 C ATOM 1598 C SER A 103 -2.547 -6.941 9.051 1.00 0.00 C ATOM 1599 O SER A 103 -2.240 -8.062 9.458 1.00 0.00 O ATOM 1600 CB SER A 103 -2.441 -7.523 6.621 1.00 0.00 C ATOM 1601 OG SER A 103 -3.797 -7.924 6.709 1.00 0.00 O ATOM 0 H SER A 103 -0.080 -6.975 7.591 1.00 0.00 H new ATOM 0 HA SER A 103 -2.655 -5.545 7.436 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.239 -7.129 5.625 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.793 -8.388 6.759 1.00 0.00 H new ATOM 0 HG SER A 103 -3.982 -8.602 6.027 1.00 0.00 H new ATOM 1607 N THR A 104 -3.266 -6.083 9.770 1.00 0.00 N ATOM 1608 CA THR A 104 -3.744 -6.418 11.105 1.00 0.00 C ATOM 1609 C THR A 104 -5.248 -6.668 11.104 1.00 0.00 C ATOM 1610 O THR A 104 -5.948 -6.309 12.052 1.00 0.00 O ATOM 1611 CB THR A 104 -3.422 -5.300 12.114 1.00 0.00 C ATOM 1612 OG1 THR A 104 -3.823 -5.697 13.430 1.00 0.00 O ATOM 1613 CG2 THR A 104 -4.126 -4.007 11.732 1.00 0.00 C ATOM 0 H THR A 104 -3.529 -5.151 9.449 1.00 0.00 H new ATOM 0 HA THR A 104 -3.227 -7.329 11.406 1.00 0.00 H new ATOM 0 HB THR A 104 -2.346 -5.127 12.100 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.760 -5.983 13.414 1.00 0.00 H new ATOM 0 HG21 THR A 104 -3.883 -3.232 12.459 1.00 0.00 H new ATOM 0 HG22 THR A 104 -3.796 -3.692 10.742 1.00 0.00 H new ATOM 0 HG23 THR A 104 -5.204 -4.169 11.721 1.00 0.00 H new ATOM 1621 N LEU A 105 -5.740 -7.285 10.036 1.00 0.00 N ATOM 1622 CA LEU A 105 -7.162 -7.584 9.912 1.00 0.00 C ATOM 1623 C LEU A 105 -7.396 -9.088 9.810 1.00 0.00 C ATOM 1624 O LEU A 105 -8.299 -9.631 10.448 1.00 0.00 O ATOM 1625 CB LEU A 105 -7.746 -6.882 8.685 1.00 0.00 C ATOM 1626 CG LEU A 105 -8.093 -5.403 8.859 1.00 0.00 C ATOM 1627 CD1 LEU A 105 -8.396 -4.763 7.513 1.00 0.00 C ATOM 1628 CD2 LEU A 105 -9.273 -5.240 9.807 1.00 0.00 C ATOM 0 H LEU A 105 -5.175 -7.588 9.243 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.664 -7.217 10.807 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.033 -6.973 7.866 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.649 -7.413 8.383 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.231 -4.896 9.293 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -8.641 -3.711 7.657 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.523 -4.847 6.865 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.242 -5.272 7.050 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.506 -4.181 9.919 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -10.140 -5.761 9.402 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -9.019 -5.661 10.780 1.00 0.00 H new ATOM 1640 N HIS A 106 -6.575 -9.756 9.006 1.00 0.00 N ATOM 1641 CA HIS A 106 -6.691 -11.199 8.824 1.00 0.00 C ATOM 1642 C HIS A 106 -6.380 -11.937 10.122 1.00 0.00 C ATOM 1643 O HIS A 106 -5.236 -12.311 10.377 1.00 0.00 O ATOM 1644 CB HIS A 106 -5.748 -11.671 7.716 1.00 0.00 C ATOM 1645 CG HIS A 106 -6.028 -13.065 7.246 1.00 0.00 C ATOM 1646 ND1 HIS A 106 -5.814 -14.180 8.028 1.00 0.00 N ATOM 1647 CD2 HIS A 106 -6.508 -13.522 6.066 1.00 0.00 C ATOM 1648 CE1 HIS A 106 -6.150 -15.263 7.349 1.00 0.00 C ATOM 1649 NE2 HIS A 106 -6.574 -14.890 6.155 1.00 0.00 N ATOM 0 H HIS A 106 -5.823 -9.322 8.471 1.00 0.00 H new ATOM 0 HA HIS A 106 -7.718 -11.423 8.537 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -5.825 -10.989 6.870 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -4.721 -11.617 8.077 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -5.453 -14.171 8.982 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -6.787 -12.922 5.213 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -6.088 -16.279 7.709 1.00 0.00 H new ATOM 1658 N GLY A 107 -7.407 -12.143 10.941 1.00 0.00 N ATOM 1659 CA GLY A 107 -7.223 -12.835 12.203 1.00 0.00 C ATOM 1660 C GLY A 107 -8.292 -12.485 13.218 1.00 0.00 C ATOM 1661 O GLY A 107 -9.394 -12.076 12.854 1.00 0.00 O ATOM 0 H GLY A 107 -8.363 -11.843 10.753 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.231 -13.911 12.028 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -6.244 -12.586 12.611 1.00 0.00 H new ATOM 1665 N GLY A 108 -7.967 -12.646 14.498 1.00 0.00 N ATOM 1666 CA GLY A 108 -8.920 -12.340 15.549 1.00 0.00 C ATOM 1667 C GLY A 108 -8.269 -11.675 16.746 1.00 0.00 C ATOM 1668 O GLY A 108 -7.949 -10.488 16.707 1.00 0.00 O ATOM 0 H GLY A 108 -7.061 -12.983 14.825 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -9.697 -11.686 15.152 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -9.410 -13.259 15.870 1.00 0.00 H new ATOM 1672 N SER A 109 -8.074 -12.443 17.813 1.00 0.00 N ATOM 1673 CA SER A 109 -7.462 -11.919 19.029 1.00 0.00 C ATOM 1674 C SER A 109 -8.240 -10.717 19.554 1.00 0.00 C ATOM 1675 O SER A 109 -7.658 -9.688 19.896 1.00 0.00 O ATOM 1676 CB SER A 109 -6.008 -11.525 18.764 1.00 0.00 C ATOM 1677 OG SER A 109 -5.291 -11.376 19.978 1.00 0.00 O ATOM 0 H SER A 109 -8.330 -13.429 17.860 1.00 0.00 H new ATOM 0 HA SER A 109 -7.486 -12.703 19.786 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.529 -12.284 18.146 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.977 -10.591 18.203 1.00 0.00 H new ATOM 0 HG SER A 109 -5.738 -10.711 20.542 1.00 0.00 H new ATOM 1683 N GLY A 110 -9.561 -10.854 19.615 1.00 0.00 N ATOM 1684 CA GLY A 110 -10.398 -9.772 20.099 1.00 0.00 C ATOM 1685 C GLY A 110 -11.247 -10.183 21.286 1.00 0.00 C ATOM 1686 O GLY A 110 -10.845 -10.046 22.441 1.00 0.00 O ATOM 0 H GLY A 110 -10.067 -11.695 19.338 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -9.769 -8.928 20.381 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -11.047 -9.430 19.293 1.00 0.00 H new ATOM 1690 N PRO A 111 -12.454 -10.697 21.005 1.00 0.00 N ATOM 1691 CA PRO A 111 -13.388 -11.138 22.045 1.00 0.00 C ATOM 1692 C PRO A 111 -12.909 -12.397 22.759 1.00 0.00 C ATOM 1693 O PRO A 111 -13.596 -12.928 23.631 1.00 0.00 O ATOM 1694 CB PRO A 111 -14.676 -11.422 21.268 1.00 0.00 C ATOM 1695 CG PRO A 111 -14.223 -11.731 19.883 1.00 0.00 C ATOM 1696 CD PRO A 111 -12.999 -10.889 19.651 1.00 0.00 C ATOM 0 HA PRO A 111 -13.504 -10.392 22.831 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -15.223 -12.259 21.701 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -15.345 -10.562 21.283 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -13.994 -12.791 19.775 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -15.001 -11.497 19.156 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -12.285 -11.390 18.998 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -13.249 -9.938 19.180 1.00 0.00 H new ATOM 1704 N SER A 112 -11.725 -12.871 22.384 1.00 0.00 N ATOM 1705 CA SER A 112 -11.155 -14.070 22.986 1.00 0.00 C ATOM 1706 C SER A 112 -12.021 -15.291 22.691 1.00 0.00 C ATOM 1707 O SER A 112 -12.351 -16.064 23.590 1.00 0.00 O ATOM 1708 CB SER A 112 -11.010 -13.887 24.498 1.00 0.00 C ATOM 1709 OG SER A 112 -9.749 -13.328 24.825 1.00 0.00 O ATOM 0 H SER A 112 -11.142 -12.442 21.665 1.00 0.00 H new ATOM 0 HA SER A 112 -10.169 -14.232 22.550 1.00 0.00 H new ATOM 0 HB2 SER A 112 -11.805 -13.239 24.867 1.00 0.00 H new ATOM 0 HB3 SER A 112 -11.125 -14.849 24.997 1.00 0.00 H new ATOM 0 HG SER A 112 -9.681 -13.219 25.797 1.00 0.00 H new ATOM 1715 N SER A 113 -12.387 -15.456 21.424 1.00 0.00 N ATOM 1716 CA SER A 113 -13.218 -16.580 21.009 1.00 0.00 C ATOM 1717 C SER A 113 -12.360 -17.795 20.670 1.00 0.00 C ATOM 1718 O SER A 113 -11.153 -17.678 20.462 1.00 0.00 O ATOM 1719 CB SER A 113 -14.072 -16.191 19.800 1.00 0.00 C ATOM 1720 OG SER A 113 -13.261 -15.773 18.716 1.00 0.00 O ATOM 0 H SER A 113 -12.121 -14.826 20.667 1.00 0.00 H new ATOM 0 HA SER A 113 -13.874 -16.841 21.840 1.00 0.00 H new ATOM 0 HB2 SER A 113 -14.683 -17.040 19.494 1.00 0.00 H new ATOM 0 HB3 SER A 113 -14.756 -15.389 20.077 1.00 0.00 H new ATOM 0 HG SER A 113 -13.830 -15.532 17.956 1.00 0.00 H new ATOM 1726 N GLY A 114 -12.993 -18.963 20.615 1.00 0.00 N ATOM 1727 CA GLY A 114 -12.273 -20.183 20.302 1.00 0.00 C ATOM 1728 C GLY A 114 -11.795 -20.910 21.543 1.00 0.00 C ATOM 1729 O GLY A 114 -12.274 -21.999 21.856 1.00 0.00 O ATOM 0 H GLY A 114 -13.992 -19.086 20.782 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -12.919 -20.844 19.724 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -11.416 -19.944 19.672 1.00 0.00 H new TER 1733 GLY A 114