USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 687 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 13 THR OG1 : rot 170:sc= -0.0725 USER MOD Set 1.2: A 22 LYS NZ :NH3+ -177:sc= 0.26 (180deg=0) USER MOD Single : A 1 THR N :NH3+ -149:sc= -0.0338 (180deg=-1.17) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.0885 USER MOD Single : A 2 LYS NZ :NH3+ -116:sc= -0.0091 (180deg=-0.132) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 69:sc= 1.18 USER MOD Single : A 17 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.038) USER MOD Single : A 24 GLN : amide:sc= -6.23! C(o=-6.2!,f=-7.9!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -3.01 K(o=-3,f=-4.7) USER MOD Single : A 31 MET CE :methyl -149:sc= -0.572 (180deg=-1.49) USER MOD Single : A 33 HIS : no HD1:sc= -3.03! C(o=-3!,f=-4.2!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -109:sc= 1.31 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -2.2! C(o=-2.2!,f=-3!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 140:sc= -0.502 (180deg=-2.74!) USER MOD Single : A 49 SER OG : rot 116:sc= -4.52! USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0206 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 71 SER OG : rot 170:sc= -0.438 USER MOD Single : A 72 SER OG : rot 56:sc= 0.49 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 22.762 -7.437 -9.097 1.00 0.00 N ATOM 2 CA THR A 1 22.791 -6.359 -8.066 1.00 0.00 C ATOM 3 C THR A 1 21.421 -6.232 -7.394 1.00 0.00 C ATOM 4 O THR A 1 20.395 -6.463 -8.003 1.00 0.00 O ATOM 5 CB THR A 1 23.133 -5.084 -8.838 1.00 0.00 C ATOM 6 OG1 THR A 1 22.178 -4.887 -9.871 1.00 0.00 O ATOM 7 CG2 THR A 1 24.528 -5.214 -9.452 1.00 0.00 C ATOM 0 H1 THR A 1 23.702 -7.876 -9.167 1.00 0.00 H new ATOM 0 H2 THR A 1 22.063 -8.158 -8.826 1.00 0.00 H new ATOM 0 H3 THR A 1 22.500 -7.030 -10.018 1.00 0.00 H new ATOM 0 HA THR A 1 23.513 -6.562 -7.275 1.00 0.00 H new ATOM 0 HB THR A 1 23.116 -4.233 -8.157 1.00 0.00 H new ATOM 0 HG1 THR A 1 22.395 -4.069 -10.366 1.00 0.00 H new ATOM 0 HG21 THR A 1 24.770 -4.304 -10.002 1.00 0.00 H new ATOM 0 HG22 THR A 1 25.261 -5.365 -8.660 1.00 0.00 H new ATOM 0 HG23 THR A 1 24.548 -6.065 -10.132 1.00 0.00 H new ATOM 17 N LYS A 2 21.396 -5.863 -6.141 1.00 0.00 N ATOM 18 CA LYS A 2 20.092 -5.720 -5.431 1.00 0.00 C ATOM 19 C LYS A 2 19.943 -4.296 -4.887 1.00 0.00 C ATOM 20 O LYS A 2 20.213 -4.032 -3.733 1.00 0.00 O ATOM 21 CB LYS A 2 20.148 -6.729 -4.282 1.00 0.00 C ATOM 22 CG LYS A 2 20.726 -8.054 -4.784 1.00 0.00 C ATOM 23 CD LYS A 2 20.108 -9.213 -3.999 1.00 0.00 C ATOM 24 CE LYS A 2 20.982 -9.530 -2.784 1.00 0.00 C ATOM 25 NZ LYS A 2 22.098 -10.360 -3.318 1.00 0.00 N ATOM 0 H LYS A 2 22.221 -5.655 -5.579 1.00 0.00 H new ATOM 0 HA LYS A 2 19.242 -5.902 -6.089 1.00 0.00 H new ATOM 0 HB2 LYS A 2 20.763 -6.337 -3.471 1.00 0.00 H new ATOM 0 HB3 LYS A 2 19.149 -6.888 -3.876 1.00 0.00 H new ATOM 0 HG2 LYS A 2 20.521 -8.172 -5.848 1.00 0.00 H new ATOM 0 HG3 LYS A 2 21.810 -8.058 -4.666 1.00 0.00 H new ATOM 0 HD2 LYS A 2 19.100 -8.951 -3.677 1.00 0.00 H new ATOM 0 HD3 LYS A 2 20.021 -10.093 -4.637 1.00 0.00 H new ATOM 0 HE2 LYS A 2 21.356 -8.618 -2.318 1.00 0.00 H new ATOM 0 HE3 LYS A 2 20.419 -10.069 -2.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 22.055 -11.311 -2.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 22.013 -10.433 -4.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 23.007 -9.916 -3.076 1.00 0.00 H new ATOM 39 N ALA A 3 19.516 -3.378 -5.710 1.00 0.00 N ATOM 40 CA ALA A 3 19.352 -1.973 -5.238 1.00 0.00 C ATOM 41 C ALA A 3 17.975 -1.785 -4.596 1.00 0.00 C ATOM 42 O ALA A 3 16.984 -2.308 -5.066 1.00 0.00 O ATOM 43 CB ALA A 3 19.476 -1.117 -6.499 1.00 0.00 C ATOM 0 H ALA A 3 19.274 -3.539 -6.688 1.00 0.00 H new ATOM 0 HA ALA A 3 20.092 -1.702 -4.484 1.00 0.00 H new ATOM 0 HB1 ALA A 3 19.366 -0.065 -6.237 1.00 0.00 H new ATOM 0 HB2 ALA A 3 20.454 -1.278 -6.953 1.00 0.00 H new ATOM 0 HB3 ALA A 3 18.696 -1.397 -7.207 1.00 0.00 H new ATOM 49 N SER A 4 17.904 -1.039 -3.527 1.00 0.00 N ATOM 50 CA SER A 4 16.590 -0.815 -2.859 1.00 0.00 C ATOM 51 C SER A 4 15.669 0.003 -3.770 1.00 0.00 C ATOM 52 O SER A 4 15.987 0.261 -4.913 1.00 0.00 O ATOM 53 CB SER A 4 16.922 -0.036 -1.588 1.00 0.00 C ATOM 54 OG SER A 4 17.263 -0.949 -0.553 1.00 0.00 O ATOM 0 H SER A 4 18.699 -0.575 -3.087 1.00 0.00 H new ATOM 0 HA SER A 4 16.071 -1.748 -2.639 1.00 0.00 H new ATOM 0 HB2 SER A 4 17.750 0.648 -1.773 1.00 0.00 H new ATOM 0 HB3 SER A 4 16.068 0.571 -1.286 1.00 0.00 H new ATOM 0 HG SER A 4 17.478 -0.452 0.264 1.00 0.00 H new ATOM 60 N CYS A 5 14.531 0.412 -3.277 1.00 0.00 N ATOM 61 CA CYS A 5 13.597 1.212 -4.124 1.00 0.00 C ATOM 62 C CYS A 5 13.504 2.649 -3.602 1.00 0.00 C ATOM 63 O CYS A 5 14.397 3.140 -2.939 1.00 0.00 O ATOM 64 CB CYS A 5 12.239 0.520 -4.000 1.00 0.00 C ATOM 65 SG CYS A 5 12.437 -1.273 -4.166 1.00 0.00 S ATOM 0 H CYS A 5 14.207 0.228 -2.327 1.00 0.00 H new ATOM 0 HA CYS A 5 13.935 1.264 -5.159 1.00 0.00 H new ATOM 0 HB2 CYS A 5 11.788 0.756 -3.036 1.00 0.00 H new ATOM 0 HB3 CYS A 5 11.561 0.892 -4.768 1.00 0.00 H new ATOM 70 N LYS A 6 12.425 3.326 -3.893 1.00 0.00 N ATOM 71 CA LYS A 6 12.265 4.730 -3.413 1.00 0.00 C ATOM 72 C LYS A 6 10.827 4.956 -2.928 1.00 0.00 C ATOM 73 O LYS A 6 9.910 5.056 -3.719 1.00 0.00 O ATOM 74 CB LYS A 6 12.567 5.604 -4.633 1.00 0.00 C ATOM 75 CG LYS A 6 14.034 6.038 -4.601 1.00 0.00 C ATOM 76 CD LYS A 6 14.236 7.225 -5.547 1.00 0.00 C ATOM 77 CE LYS A 6 14.233 8.526 -4.741 1.00 0.00 C ATOM 78 NZ LYS A 6 13.617 9.536 -5.646 1.00 0.00 N ATOM 0 H LYS A 6 11.646 2.966 -4.444 1.00 0.00 H new ATOM 0 HA LYS A 6 12.924 4.962 -2.577 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.360 5.051 -5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.918 6.480 -4.636 1.00 0.00 H new ATOM 0 HG2 LYS A 6 14.320 6.315 -3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.676 5.209 -4.898 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.179 7.120 -6.084 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.444 7.246 -6.295 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.660 8.419 -3.820 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.244 8.816 -4.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.579 10.457 -5.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.188 9.621 -6.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.653 9.236 -5.896 1.00 0.00 H new ATOM 92 N LEU A 7 10.631 5.032 -1.637 1.00 0.00 N ATOM 93 CA LEU A 7 9.256 5.245 -1.087 1.00 0.00 C ATOM 94 C LEU A 7 8.452 6.199 -1.982 1.00 0.00 C ATOM 95 O LEU A 7 8.598 7.401 -1.884 1.00 0.00 O ATOM 96 CB LEU A 7 9.477 5.868 0.291 1.00 0.00 C ATOM 97 CG LEU A 7 10.316 7.139 0.151 1.00 0.00 C ATOM 98 CD1 LEU A 7 9.543 8.327 0.728 1.00 0.00 C ATOM 99 CD2 LEU A 7 11.630 6.969 0.918 1.00 0.00 C ATOM 0 H LEU A 7 11.367 4.955 -0.935 1.00 0.00 H new ATOM 0 HA LEU A 7 8.690 4.315 -1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 7 8.518 6.102 0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.981 5.157 0.946 1.00 0.00 H new ATOM 0 HG LEU A 7 10.528 7.319 -0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 7 10.141 9.233 0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.606 8.449 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.331 8.146 1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 7 12.229 7.874 0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.416 6.789 1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.182 6.122 0.510 1.00 0.00 H new ATOM 111 N PRO A 8 7.626 5.633 -2.829 1.00 0.00 N ATOM 112 CA PRO A 8 6.796 6.449 -3.749 1.00 0.00 C ATOM 113 C PRO A 8 5.788 7.294 -2.963 1.00 0.00 C ATOM 114 O PRO A 8 5.290 8.291 -3.449 1.00 0.00 O ATOM 115 CB PRO A 8 6.081 5.386 -4.589 1.00 0.00 C ATOM 116 CG PRO A 8 6.528 3.992 -4.110 1.00 0.00 C ATOM 117 CD PRO A 8 7.478 4.161 -2.917 1.00 0.00 C ATOM 0 HA PRO A 8 7.373 7.156 -4.346 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.001 5.491 -4.490 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.319 5.516 -5.645 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.662 3.396 -3.822 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.028 3.457 -4.918 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.060 3.740 -2.003 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.434 3.667 -3.087 1.00 0.00 H new ATOM 125 N VAL A 9 5.476 6.903 -1.757 1.00 0.00 N ATOM 126 CA VAL A 9 4.494 7.687 -0.949 1.00 0.00 C ATOM 127 C VAL A 9 4.975 7.814 0.499 1.00 0.00 C ATOM 128 O VAL A 9 5.775 7.031 0.970 1.00 0.00 O ATOM 129 CB VAL A 9 3.190 6.887 -1.011 1.00 0.00 C ATOM 130 CG1 VAL A 9 2.018 7.794 -0.634 1.00 0.00 C ATOM 131 CG2 VAL A 9 2.976 6.353 -2.431 1.00 0.00 C ATOM 0 H VAL A 9 5.857 6.077 -1.296 1.00 0.00 H new ATOM 0 HA VAL A 9 4.368 8.700 -1.332 1.00 0.00 H new ATOM 0 HB VAL A 9 3.249 6.051 -0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.089 7.225 -0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.163 8.175 0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.965 8.629 -1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.047 5.784 -2.470 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.920 7.188 -3.129 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.809 5.706 -2.706 1.00 0.00 H new ATOM 141 N LYS A 10 4.490 8.797 1.209 1.00 0.00 N ATOM 142 CA LYS A 10 4.916 8.976 2.628 1.00 0.00 C ATOM 143 C LYS A 10 3.798 8.532 3.577 1.00 0.00 C ATOM 144 O LYS A 10 3.833 8.800 4.762 1.00 0.00 O ATOM 145 CB LYS A 10 5.179 10.475 2.776 1.00 0.00 C ATOM 146 CG LYS A 10 6.236 10.913 1.761 1.00 0.00 C ATOM 147 CD LYS A 10 6.271 12.440 1.686 1.00 0.00 C ATOM 148 CE LYS A 10 5.157 12.932 0.760 1.00 0.00 C ATOM 149 NZ LYS A 10 5.740 14.102 0.044 1.00 0.00 N ATOM 0 H LYS A 10 3.817 9.484 0.868 1.00 0.00 H new ATOM 0 HA LYS A 10 5.796 8.381 2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.256 11.034 2.619 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.518 10.697 3.788 1.00 0.00 H new ATOM 0 HG2 LYS A 10 7.214 10.530 2.051 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.008 10.495 0.780 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.146 12.866 2.681 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.240 12.774 1.316 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.852 12.153 0.061 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.270 13.217 1.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.034 14.495 -0.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.015 14.830 0.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.578 13.799 -0.492 1.00 0.00 H new ATOM 163 N LYS A 11 2.805 7.856 3.065 1.00 0.00 N ATOM 164 CA LYS A 11 1.685 7.397 3.937 1.00 0.00 C ATOM 165 C LYS A 11 1.038 6.139 3.348 1.00 0.00 C ATOM 166 O LYS A 11 -0.160 5.952 3.423 1.00 0.00 O ATOM 167 CB LYS A 11 0.689 8.558 3.943 1.00 0.00 C ATOM 168 CG LYS A 11 0.083 8.716 2.547 1.00 0.00 C ATOM 169 CD LYS A 11 0.254 10.162 2.076 1.00 0.00 C ATOM 170 CE LYS A 11 -0.327 11.113 3.124 1.00 0.00 C ATOM 171 NZ LYS A 11 -1.630 11.560 2.558 1.00 0.00 N ATOM 0 H LYS A 11 2.721 7.602 2.081 1.00 0.00 H new ATOM 0 HA LYS A 11 2.021 7.141 4.942 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.098 8.373 4.674 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.190 9.479 4.240 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.570 8.035 1.849 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.974 8.451 2.566 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.310 10.381 1.916 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.249 10.306 1.120 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.464 10.610 4.081 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.337 11.959 3.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.090 12.216 3.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.467 12.042 1.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.244 10.734 2.406 1.00 0.00 H new ATOM 185 N ALA A 12 1.821 5.278 2.758 1.00 0.00 N ATOM 186 CA ALA A 12 1.253 4.035 2.161 1.00 0.00 C ATOM 187 C ALA A 12 1.240 2.903 3.194 1.00 0.00 C ATOM 188 O ALA A 12 2.265 2.507 3.707 1.00 0.00 O ATOM 189 CB ALA A 12 2.190 3.693 1.003 1.00 0.00 C ATOM 0 H ALA A 12 2.831 5.381 2.663 1.00 0.00 H new ATOM 0 HA ALA A 12 0.223 4.170 1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.841 2.787 0.508 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.200 4.516 0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.198 3.532 1.386 1.00 0.00 H new ATOM 195 N THR A 13 0.084 2.375 3.498 1.00 0.00 N ATOM 196 CA THR A 13 0.009 1.263 4.491 1.00 0.00 C ATOM 197 C THR A 13 -0.142 -0.077 3.767 1.00 0.00 C ATOM 198 O THR A 13 -1.146 -0.342 3.135 1.00 0.00 O ATOM 199 CB THR A 13 -1.235 1.563 5.329 1.00 0.00 C ATOM 200 OG1 THR A 13 -1.395 2.970 5.449 1.00 0.00 O ATOM 201 CG2 THR A 13 -1.077 0.945 6.719 1.00 0.00 C ATOM 0 H THR A 13 -0.810 2.665 3.102 1.00 0.00 H new ATOM 0 HA THR A 13 0.906 1.195 5.106 1.00 0.00 H new ATOM 0 HB THR A 13 -2.113 1.137 4.843 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.270 3.167 5.843 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.964 1.159 7.315 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.955 -0.134 6.626 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.200 1.369 7.208 1.00 0.00 H new ATOM 209 N VAL A 14 0.848 -0.923 3.850 1.00 0.00 N ATOM 210 CA VAL A 14 0.757 -2.242 3.160 1.00 0.00 C ATOM 211 C VAL A 14 0.941 -3.383 4.166 1.00 0.00 C ATOM 212 O VAL A 14 1.054 -3.163 5.354 1.00 0.00 O ATOM 213 CB VAL A 14 1.897 -2.236 2.141 1.00 0.00 C ATOM 214 CG1 VAL A 14 1.610 -1.189 1.064 1.00 0.00 C ATOM 215 CG2 VAL A 14 3.211 -1.892 2.848 1.00 0.00 C ATOM 0 H VAL A 14 1.714 -0.759 4.364 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.213 -2.392 2.686 1.00 0.00 H new ATOM 0 HB VAL A 14 1.979 -3.220 1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.422 -1.183 0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.674 -1.431 0.561 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.530 -0.205 1.526 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.024 -1.888 2.122 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.130 -0.907 3.308 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.416 -2.636 3.618 1.00 0.00 H new ATOM 225 N VAL A 15 0.970 -4.598 3.694 1.00 0.00 N ATOM 226 CA VAL A 15 1.146 -5.755 4.618 1.00 0.00 C ATOM 227 C VAL A 15 2.451 -6.488 4.299 1.00 0.00 C ATOM 228 O VAL A 15 2.490 -7.365 3.458 1.00 0.00 O ATOM 229 CB VAL A 15 -0.056 -6.660 4.353 1.00 0.00 C ATOM 230 CG1 VAL A 15 -0.017 -7.855 5.307 1.00 0.00 C ATOM 231 CG2 VAL A 15 -1.347 -5.870 4.580 1.00 0.00 C ATOM 0 H VAL A 15 0.879 -4.841 2.707 1.00 0.00 H new ATOM 0 HA VAL A 15 1.200 -5.447 5.662 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.022 -7.016 3.323 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.875 -8.500 5.117 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.903 -8.418 5.148 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.051 -7.500 6.337 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.206 -6.514 4.391 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.380 -5.514 5.610 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.376 -5.018 3.901 1.00 0.00 H new ATOM 241 N TYR A 16 3.518 -6.135 4.959 1.00 0.00 N ATOM 242 CA TYR A 16 4.818 -6.812 4.689 1.00 0.00 C ATOM 243 C TYR A 16 5.002 -8.000 5.636 1.00 0.00 C ATOM 244 O TYR A 16 4.814 -7.889 6.831 1.00 0.00 O ATOM 245 CB TYR A 16 5.881 -5.743 4.948 1.00 0.00 C ATOM 246 CG TYR A 16 7.244 -6.275 4.570 1.00 0.00 C ATOM 247 CD1 TYR A 16 7.387 -7.130 3.470 1.00 0.00 C ATOM 248 CD2 TYR A 16 8.368 -5.910 5.321 1.00 0.00 C ATOM 249 CE1 TYR A 16 8.651 -7.618 3.121 1.00 0.00 C ATOM 250 CE2 TYR A 16 9.633 -6.397 4.973 1.00 0.00 C ATOM 251 CZ TYR A 16 9.775 -7.251 3.873 1.00 0.00 C ATOM 252 OH TYR A 16 11.022 -7.731 3.527 1.00 0.00 O ATOM 0 H TYR A 16 3.547 -5.408 5.673 1.00 0.00 H new ATOM 0 HA TYR A 16 4.878 -7.206 3.675 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.657 -4.847 4.370 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.872 -5.455 5.999 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.521 -7.413 2.891 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.259 -5.252 6.170 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.760 -8.277 2.273 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.499 -6.114 5.553 1.00 0.00 H new ATOM 0 HH TYR A 16 11.306 -7.324 2.682 1.00 0.00 H new ATOM 262 N GLN A 17 5.368 -9.136 5.110 1.00 0.00 N ATOM 263 CA GLN A 17 5.563 -10.331 5.977 1.00 0.00 C ATOM 264 C GLN A 17 4.329 -10.556 6.855 1.00 0.00 C ATOM 265 O GLN A 17 4.418 -11.080 7.948 1.00 0.00 O ATOM 266 CB GLN A 17 6.782 -9.999 6.834 1.00 0.00 C ATOM 267 CG GLN A 17 8.057 -10.256 6.028 1.00 0.00 C ATOM 268 CD GLN A 17 8.701 -11.565 6.490 1.00 0.00 C ATOM 269 OE1 GLN A 17 8.947 -12.448 5.691 1.00 0.00 O ATOM 270 NE2 GLN A 17 8.987 -11.729 7.752 1.00 0.00 N ATOM 0 H GLN A 17 5.541 -9.288 4.116 1.00 0.00 H new ATOM 0 HA GLN A 17 5.708 -11.244 5.399 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.744 -8.957 7.152 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.781 -10.608 7.738 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.823 -10.310 4.965 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.755 -9.429 6.159 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.781 -10.988 8.422 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.417 -12.598 8.069 1.00 0.00 H new ATOM 279 N GLY A 18 3.176 -10.168 6.381 1.00 0.00 N ATOM 280 CA GLY A 18 1.936 -10.363 7.185 1.00 0.00 C ATOM 281 C GLY A 18 1.845 -9.282 8.264 1.00 0.00 C ATOM 282 O GLY A 18 1.134 -9.425 9.239 1.00 0.00 O ATOM 0 H GLY A 18 3.039 -9.725 5.473 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.060 -10.318 6.537 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.942 -11.351 7.646 1.00 0.00 H new ATOM 286 N GLU A 19 2.556 -8.200 8.100 1.00 0.00 N ATOM 287 CA GLU A 19 2.504 -7.114 9.122 1.00 0.00 C ATOM 288 C GLU A 19 2.081 -5.793 8.473 1.00 0.00 C ATOM 289 O GLU A 19 2.715 -5.309 7.556 1.00 0.00 O ATOM 290 CB GLU A 19 3.928 -7.009 9.669 1.00 0.00 C ATOM 291 CG GLU A 19 4.235 -8.233 10.535 1.00 0.00 C ATOM 292 CD GLU A 19 3.158 -8.379 11.611 1.00 0.00 C ATOM 293 OE1 GLU A 19 3.144 -7.568 12.522 1.00 0.00 O ATOM 294 OE2 GLU A 19 2.364 -9.299 11.505 1.00 0.00 O ATOM 0 H GLU A 19 3.169 -8.020 7.305 1.00 0.00 H new ATOM 0 HA GLU A 19 1.781 -7.327 9.909 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.641 -6.944 8.847 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.036 -6.098 10.257 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.270 -9.130 9.916 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.216 -8.127 10.999 1.00 0.00 H new ATOM 301 N ARG A 20 1.014 -5.208 8.943 1.00 0.00 N ATOM 302 CA ARG A 20 0.549 -3.917 8.356 1.00 0.00 C ATOM 303 C ARG A 20 1.434 -2.767 8.842 1.00 0.00 C ATOM 304 O ARG A 20 1.609 -2.568 10.028 1.00 0.00 O ATOM 305 CB ARG A 20 -0.884 -3.747 8.863 1.00 0.00 C ATOM 306 CG ARG A 20 -1.843 -4.531 7.966 1.00 0.00 C ATOM 307 CD ARG A 20 -3.128 -4.839 8.738 1.00 0.00 C ATOM 308 NE ARG A 20 -3.534 -3.538 9.339 1.00 0.00 N ATOM 309 CZ ARG A 20 -3.486 -3.374 10.632 1.00 0.00 C ATOM 310 NH1 ARG A 20 -4.291 -4.048 11.407 1.00 0.00 N ATOM 311 NH2 ARG A 20 -2.633 -2.535 11.151 1.00 0.00 N ATOM 0 H ARG A 20 0.443 -5.567 9.708 1.00 0.00 H new ATOM 0 HA ARG A 20 0.598 -3.915 7.267 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.961 -4.101 9.891 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.156 -2.691 8.868 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.074 -3.954 7.070 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.373 -5.458 7.636 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.903 -5.228 8.077 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.956 -5.593 9.506 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.850 -2.775 8.739 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.959 -4.704 11.002 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.252 -3.919 12.418 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.004 -2.007 10.546 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.595 -2.406 12.162 1.00 0.00 H new ATOM 325 N VAL A 21 1.995 -2.008 7.939 1.00 0.00 N ATOM 326 CA VAL A 21 2.870 -0.875 8.355 1.00 0.00 C ATOM 327 C VAL A 21 2.968 0.159 7.230 1.00 0.00 C ATOM 328 O VAL A 21 2.715 -0.137 6.078 1.00 0.00 O ATOM 329 CB VAL A 21 4.237 -1.506 8.622 1.00 0.00 C ATOM 330 CG1 VAL A 21 4.164 -2.367 9.884 1.00 0.00 C ATOM 331 CG2 VAL A 21 4.636 -2.378 7.430 1.00 0.00 C ATOM 0 H VAL A 21 1.885 -2.124 6.932 1.00 0.00 H new ATOM 0 HA VAL A 21 2.482 -0.356 9.231 1.00 0.00 H new ATOM 0 HB VAL A 21 4.980 -0.721 8.762 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.138 -2.817 10.074 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.879 -1.745 10.733 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.422 -3.153 9.745 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.610 -2.829 7.619 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.894 -3.164 7.290 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.688 -1.764 6.531 1.00 0.00 H new ATOM 341 N LYS A 22 3.334 1.369 7.552 1.00 0.00 N ATOM 342 CA LYS A 22 3.448 2.416 6.498 1.00 0.00 C ATOM 343 C LYS A 22 4.819 2.339 5.821 1.00 0.00 C ATOM 344 O LYS A 22 5.839 2.598 6.428 1.00 0.00 O ATOM 345 CB LYS A 22 3.286 3.745 7.237 1.00 0.00 C ATOM 346 CG LYS A 22 2.596 4.754 6.319 1.00 0.00 C ATOM 347 CD LYS A 22 1.136 4.344 6.114 1.00 0.00 C ATOM 348 CE LYS A 22 0.423 4.296 7.468 1.00 0.00 C ATOM 349 NZ LYS A 22 -0.773 5.167 7.303 1.00 0.00 N ATOM 0 H LYS A 22 3.559 1.678 8.498 1.00 0.00 H new ATOM 0 HA LYS A 22 2.701 2.294 5.714 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.699 3.601 8.144 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.260 4.124 7.545 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.647 5.752 6.755 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.110 4.799 5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.637 5.054 5.454 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.086 3.369 5.630 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.137 3.277 7.728 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.069 4.659 8.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.287 5.226 8.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.472 6.119 7.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.397 4.765 6.575 1.00 0.00 H new ATOM 363 N ILE A 23 4.849 1.984 4.566 1.00 0.00 N ATOM 364 CA ILE A 23 6.149 1.889 3.846 1.00 0.00 C ATOM 365 C ILE A 23 6.950 3.180 4.029 1.00 0.00 C ATOM 366 O ILE A 23 8.164 3.181 3.976 1.00 0.00 O ATOM 367 CB ILE A 23 5.776 1.694 2.377 1.00 0.00 C ATOM 368 CG1 ILE A 23 7.051 1.586 1.540 1.00 0.00 C ATOM 369 CG2 ILE A 23 4.951 2.889 1.894 1.00 0.00 C ATOM 370 CD1 ILE A 23 6.690 1.192 0.107 1.00 0.00 C ATOM 0 H ILE A 23 4.027 1.755 4.007 1.00 0.00 H new ATOM 0 HA ILE A 23 6.769 1.074 4.220 1.00 0.00 H new ATOM 0 HB ILE A 23 5.189 0.782 2.270 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.583 2.538 1.544 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.722 0.845 1.974 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.686 2.748 0.846 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.042 2.969 2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.536 3.802 2.001 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.599 1.115 -0.489 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.177 0.230 0.112 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.036 1.949 -0.325 1.00 0.00 H new ATOM 382 N GLN A 24 6.280 4.279 4.243 1.00 0.00 N ATOM 383 CA GLN A 24 7.007 5.568 4.427 1.00 0.00 C ATOM 384 C GLN A 24 7.761 5.567 5.759 1.00 0.00 C ATOM 385 O GLN A 24 8.535 6.460 6.045 1.00 0.00 O ATOM 386 CB GLN A 24 5.918 6.643 4.428 1.00 0.00 C ATOM 387 CG GLN A 24 4.988 6.431 5.625 1.00 0.00 C ATOM 388 CD GLN A 24 5.177 7.569 6.629 1.00 0.00 C ATOM 389 OE1 GLN A 24 6.085 8.365 6.499 1.00 0.00 O ATOM 390 NE2 GLN A 24 4.350 7.680 7.632 1.00 0.00 N ATOM 0 H GLN A 24 5.263 4.341 4.298 1.00 0.00 H new ATOM 0 HA GLN A 24 7.747 5.738 3.645 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.371 7.633 4.477 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.348 6.599 3.500 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.951 6.396 5.291 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.203 5.474 6.100 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.588 7.011 7.741 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.466 8.436 8.307 1.00 0.00 H new ATOM 399 N GLU A 25 7.543 4.572 6.576 1.00 0.00 N ATOM 400 CA GLU A 25 8.250 4.517 7.887 1.00 0.00 C ATOM 401 C GLU A 25 9.220 3.334 7.914 1.00 0.00 C ATOM 402 O GLU A 25 10.409 3.498 8.095 1.00 0.00 O ATOM 403 CB GLU A 25 7.144 4.333 8.924 1.00 0.00 C ATOM 404 CG GLU A 25 6.270 5.588 8.965 1.00 0.00 C ATOM 405 CD GLU A 25 5.143 5.393 9.981 1.00 0.00 C ATOM 406 OE1 GLU A 25 4.229 4.642 9.686 1.00 0.00 O ATOM 407 OE2 GLU A 25 5.213 6.000 11.037 1.00 0.00 O ATOM 0 H GLU A 25 6.907 3.796 6.392 1.00 0.00 H new ATOM 0 HA GLU A 25 8.840 5.413 8.078 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.538 3.462 8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.579 4.147 9.906 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.873 6.455 9.236 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.853 5.786 7.977 1.00 0.00 H new ATOM 414 N LYS A 26 8.724 2.140 7.728 1.00 0.00 N ATOM 415 CA LYS A 26 9.623 0.951 7.737 1.00 0.00 C ATOM 416 C LYS A 26 10.594 1.026 6.555 1.00 0.00 C ATOM 417 O LYS A 26 11.626 0.385 6.542 1.00 0.00 O ATOM 418 CB LYS A 26 8.692 -0.252 7.593 1.00 0.00 C ATOM 419 CG LYS A 26 9.493 -1.544 7.776 1.00 0.00 C ATOM 420 CD LYS A 26 8.738 -2.482 8.721 1.00 0.00 C ATOM 421 CE LYS A 26 9.665 -3.619 9.160 1.00 0.00 C ATOM 422 NZ LYS A 26 9.351 -3.835 10.600 1.00 0.00 N ATOM 0 H LYS A 26 7.737 1.937 7.571 1.00 0.00 H new ATOM 0 HA LYS A 26 10.225 0.889 8.644 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.894 -0.198 8.334 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.217 -0.242 6.612 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.647 -2.029 6.812 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.480 -1.319 8.181 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.384 -1.930 9.592 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.858 -2.888 8.222 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.486 -4.522 8.577 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.712 -3.351 9.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.947 -4.601 10.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.537 -2.960 11.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.349 -4.095 10.702 1.00 0.00 H new ATOM 436 N PHE A 27 10.270 1.812 5.564 1.00 0.00 N ATOM 437 CA PHE A 27 11.169 1.940 4.382 1.00 0.00 C ATOM 438 C PHE A 27 11.395 3.419 4.057 1.00 0.00 C ATOM 439 O PHE A 27 11.211 3.853 2.937 1.00 0.00 O ATOM 440 CB PHE A 27 10.425 1.250 3.240 1.00 0.00 C ATOM 441 CG PHE A 27 10.241 -0.212 3.570 1.00 0.00 C ATOM 442 CD1 PHE A 27 11.360 -1.031 3.762 1.00 0.00 C ATOM 443 CD2 PHE A 27 8.953 -0.746 3.684 1.00 0.00 C ATOM 444 CE1 PHE A 27 11.190 -2.387 4.068 1.00 0.00 C ATOM 445 CE2 PHE A 27 8.782 -2.101 3.991 1.00 0.00 C ATOM 446 CZ PHE A 27 9.901 -2.922 4.183 1.00 0.00 C ATOM 0 H PHE A 27 9.419 2.372 5.522 1.00 0.00 H new ATOM 0 HA PHE A 27 12.149 1.495 4.555 1.00 0.00 H new ATOM 0 HB2 PHE A 27 9.456 1.724 3.085 1.00 0.00 H new ATOM 0 HB3 PHE A 27 10.984 1.356 2.311 1.00 0.00 H new ATOM 0 HD1 PHE A 27 12.354 -0.617 3.674 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.091 -0.113 3.535 1.00 0.00 H new ATOM 0 HE1 PHE A 27 12.053 -3.020 4.215 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.788 -2.513 4.080 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.769 -3.967 4.420 1.00 0.00 H new ATOM 456 N LYS A 28 11.791 4.195 5.028 1.00 0.00 N ATOM 457 CA LYS A 28 12.025 5.644 4.779 1.00 0.00 C ATOM 458 C LYS A 28 13.255 5.825 3.880 1.00 0.00 C ATOM 459 O LYS A 28 13.362 6.786 3.144 1.00 0.00 O ATOM 460 CB LYS A 28 12.250 6.241 6.175 1.00 0.00 C ATOM 461 CG LYS A 28 13.151 7.475 6.087 1.00 0.00 C ATOM 462 CD LYS A 28 14.609 7.023 6.028 1.00 0.00 C ATOM 463 CE LYS A 28 15.478 7.982 6.844 1.00 0.00 C ATOM 464 NZ LYS A 28 15.509 7.402 8.217 1.00 0.00 N ATOM 0 H LYS A 28 11.963 3.887 5.985 1.00 0.00 H new ATOM 0 HA LYS A 28 11.197 6.132 4.265 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.293 6.512 6.620 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.705 5.496 6.827 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.902 8.060 5.202 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.991 8.120 6.951 1.00 0.00 H new ATOM 0 HD2 LYS A 28 14.702 6.010 6.419 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.951 6.998 4.993 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.481 8.059 6.425 1.00 0.00 H new ATOM 0 HE3 LYS A 28 15.057 8.988 6.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.087 8.006 8.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.541 7.348 8.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.921 6.448 8.181 1.00 0.00 H new ATOM 478 N ASN A 29 14.181 4.907 3.932 1.00 0.00 N ATOM 479 CA ASN A 29 15.398 5.028 3.080 1.00 0.00 C ATOM 480 C ASN A 29 15.272 4.124 1.852 1.00 0.00 C ATOM 481 O ASN A 29 16.230 3.524 1.408 1.00 0.00 O ATOM 482 CB ASN A 29 16.551 4.565 3.970 1.00 0.00 C ATOM 483 CG ASN A 29 17.075 5.750 4.782 1.00 0.00 C ATOM 484 OD1 ASN A 29 17.175 5.676 5.991 1.00 0.00 O ATOM 485 ND2 ASN A 29 17.415 6.848 4.166 1.00 0.00 N ATOM 0 H ASN A 29 14.148 4.079 4.527 1.00 0.00 H new ATOM 0 HA ASN A 29 15.548 6.044 2.714 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.213 3.773 4.639 1.00 0.00 H new ATOM 0 HB3 ASN A 29 17.351 4.147 3.359 1.00 0.00 H new ATOM 0 HD21 ASN A 29 17.765 7.644 4.699 1.00 0.00 H new ATOM 0 HD22 ASN A 29 17.331 6.910 3.151 1.00 0.00 H new ATOM 492 N GLY A 30 14.093 4.022 1.299 1.00 0.00 N ATOM 493 CA GLY A 30 13.904 3.155 0.102 1.00 0.00 C ATOM 494 C GLY A 30 13.543 1.738 0.551 1.00 0.00 C ATOM 495 O GLY A 30 13.688 1.387 1.705 1.00 0.00 O ATOM 0 H GLY A 30 13.254 4.502 1.625 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.115 3.559 -0.532 1.00 0.00 H new ATOM 0 HA3 GLY A 30 14.816 3.138 -0.495 1.00 0.00 H new ATOM 499 N MET A 31 13.070 0.921 -0.352 1.00 0.00 N ATOM 500 CA MET A 31 12.699 -0.472 0.028 1.00 0.00 C ATOM 501 C MET A 31 13.782 -1.453 -0.428 1.00 0.00 C ATOM 502 O MET A 31 14.608 -1.138 -1.260 1.00 0.00 O ATOM 503 CB MET A 31 11.388 -0.749 -0.711 1.00 0.00 C ATOM 504 CG MET A 31 10.296 0.176 -0.177 1.00 0.00 C ATOM 505 SD MET A 31 9.002 -0.817 0.605 1.00 0.00 S ATOM 506 CE MET A 31 8.454 -1.687 -0.883 1.00 0.00 C ATOM 0 H MET A 31 12.925 1.158 -1.334 1.00 0.00 H new ATOM 0 HA MET A 31 12.595 -0.589 1.107 1.00 0.00 H new ATOM 0 HB2 MET A 31 11.521 -0.591 -1.781 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.095 -1.790 -0.576 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.717 0.877 0.543 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.875 0.768 -0.990 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.391 -1.912 -0.802 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.626 -1.058 -1.756 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.014 -2.616 -0.989 1.00 0.00 H new ATOM 516 N LEU A 32 13.781 -2.643 0.107 1.00 0.00 N ATOM 517 CA LEU A 32 14.808 -3.642 -0.299 1.00 0.00 C ATOM 518 C LEU A 32 14.479 -4.204 -1.683 1.00 0.00 C ATOM 519 O LEU A 32 13.335 -4.239 -2.093 1.00 0.00 O ATOM 520 CB LEU A 32 14.729 -4.743 0.758 1.00 0.00 C ATOM 521 CG LEU A 32 15.056 -4.157 2.132 1.00 0.00 C ATOM 522 CD1 LEU A 32 13.789 -4.126 2.987 1.00 0.00 C ATOM 523 CD2 LEU A 32 16.110 -5.028 2.817 1.00 0.00 C ATOM 0 H LEU A 32 13.114 -2.966 0.807 1.00 0.00 H new ATOM 0 HA LEU A 32 15.806 -3.207 -0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.732 -5.182 0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.428 -5.544 0.517 1.00 0.00 H new ATOM 0 HG LEU A 32 15.440 -3.144 2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 32 14.021 -3.708 3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.035 -3.508 2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.406 -5.139 3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 32 16.345 -4.612 3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 32 15.724 -6.041 2.935 1.00 0.00 H new ATOM 0 HD23 LEU A 32 17.013 -5.053 2.208 1.00 0.00 H new ATOM 535 N HIS A 33 15.470 -4.645 -2.408 1.00 0.00 N ATOM 536 CA HIS A 33 15.208 -5.205 -3.765 1.00 0.00 C ATOM 537 C HIS A 33 14.432 -6.520 -3.651 1.00 0.00 C ATOM 538 O HIS A 33 14.807 -7.412 -2.916 1.00 0.00 O ATOM 539 CB HIS A 33 16.592 -5.446 -4.368 1.00 0.00 C ATOM 540 CG HIS A 33 16.471 -6.342 -5.570 1.00 0.00 C ATOM 541 ND1 HIS A 33 15.387 -6.279 -6.432 1.00 0.00 N ATOM 542 CD2 HIS A 33 17.288 -7.325 -6.068 1.00 0.00 C ATOM 543 CE1 HIS A 33 15.580 -7.201 -7.394 1.00 0.00 C ATOM 544 NE2 HIS A 33 16.724 -7.867 -7.219 1.00 0.00 N ATOM 0 H HIS A 33 16.449 -4.642 -2.120 1.00 0.00 H new ATOM 0 HA HIS A 33 14.608 -4.535 -4.381 1.00 0.00 H new ATOM 0 HB2 HIS A 33 17.045 -4.497 -4.654 1.00 0.00 H new ATOM 0 HB3 HIS A 33 17.248 -5.902 -3.627 1.00 0.00 H new ATOM 0 HD2 HIS A 33 18.227 -7.632 -5.632 1.00 0.00 H new ATOM 0 HE1 HIS A 33 14.893 -7.380 -8.208 1.00 0.00 H new ATOM 0 HE2 HIS A 33 17.103 -8.612 -7.803 1.00 0.00 H new ATOM 552 N GLY A 34 13.354 -6.647 -4.374 1.00 0.00 N ATOM 553 CA GLY A 34 12.557 -7.906 -4.309 1.00 0.00 C ATOM 554 C GLY A 34 11.547 -7.825 -3.160 1.00 0.00 C ATOM 555 O GLY A 34 10.633 -8.622 -3.071 1.00 0.00 O ATOM 0 H GLY A 34 12.990 -5.935 -5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.035 -8.066 -5.253 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.220 -8.759 -4.163 1.00 0.00 H new ATOM 559 N ASP A 35 11.700 -6.873 -2.280 1.00 0.00 N ATOM 560 CA ASP A 35 10.743 -6.752 -1.140 1.00 0.00 C ATOM 561 C ASP A 35 9.301 -6.865 -1.644 1.00 0.00 C ATOM 562 O ASP A 35 8.954 -6.334 -2.680 1.00 0.00 O ATOM 563 CB ASP A 35 10.998 -5.363 -0.553 1.00 0.00 C ATOM 564 CG ASP A 35 10.651 -5.369 0.937 1.00 0.00 C ATOM 565 OD1 ASP A 35 11.284 -6.111 1.671 1.00 0.00 O ATOM 566 OD2 ASP A 35 9.758 -4.630 1.319 1.00 0.00 O ATOM 0 H ASP A 35 12.444 -6.175 -2.300 1.00 0.00 H new ATOM 0 HA ASP A 35 10.883 -7.539 -0.399 1.00 0.00 H new ATOM 0 HB2 ASP A 35 12.042 -5.083 -0.693 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.396 -4.619 -1.075 1.00 0.00 H new ATOM 571 N LYS A 36 8.460 -7.554 -0.922 1.00 0.00 N ATOM 572 CA LYS A 36 7.043 -7.700 -1.367 1.00 0.00 C ATOM 573 C LYS A 36 6.096 -7.030 -0.366 1.00 0.00 C ATOM 574 O LYS A 36 6.164 -7.269 0.824 1.00 0.00 O ATOM 575 CB LYS A 36 6.796 -9.209 -1.415 1.00 0.00 C ATOM 576 CG LYS A 36 7.189 -9.748 -2.792 1.00 0.00 C ATOM 577 CD LYS A 36 6.421 -11.042 -3.074 1.00 0.00 C ATOM 578 CE LYS A 36 7.066 -11.770 -4.258 1.00 0.00 C ATOM 579 NZ LYS A 36 6.255 -13.006 -4.437 1.00 0.00 N ATOM 0 H LYS A 36 8.691 -8.021 -0.045 1.00 0.00 H new ATOM 0 HA LYS A 36 6.865 -7.226 -2.332 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.376 -9.708 -0.639 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.746 -9.423 -1.215 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.968 -9.007 -3.560 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.262 -9.935 -2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.429 -11.682 -2.192 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.378 -10.818 -3.296 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.050 -11.154 -5.157 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.110 -12.009 -4.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.636 -13.559 -5.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.294 -13.576 -3.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.268 -12.747 -4.637 1.00 0.00 H new ATOM 593 N VAL A 37 5.210 -6.197 -0.842 1.00 0.00 N ATOM 594 CA VAL A 37 4.254 -5.512 0.077 1.00 0.00 C ATOM 595 C VAL A 37 2.855 -5.492 -0.546 1.00 0.00 C ATOM 596 O VAL A 37 2.696 -5.258 -1.727 1.00 0.00 O ATOM 597 CB VAL A 37 4.796 -4.091 0.229 1.00 0.00 C ATOM 598 CG1 VAL A 37 6.146 -4.133 0.946 1.00 0.00 C ATOM 599 CG2 VAL A 37 4.973 -3.463 -1.155 1.00 0.00 C ATOM 0 H VAL A 37 5.106 -5.961 -1.829 1.00 0.00 H new ATOM 0 HA VAL A 37 4.169 -6.016 1.039 1.00 0.00 H new ATOM 0 HB VAL A 37 4.094 -3.495 0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.532 -3.119 1.054 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.021 -4.581 1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.849 -4.729 0.364 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.359 -2.449 -1.048 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.675 -4.059 -1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.011 -3.432 -1.666 1.00 0.00 H new ATOM 609 N SER A 38 1.840 -5.742 0.236 1.00 0.00 N ATOM 610 CA SER A 38 0.455 -5.746 -0.316 1.00 0.00 C ATOM 611 C SER A 38 -0.257 -4.423 -0.013 1.00 0.00 C ATOM 612 O SER A 38 -0.036 -3.808 1.011 1.00 0.00 O ATOM 613 CB SER A 38 -0.244 -6.902 0.397 1.00 0.00 C ATOM 614 OG SER A 38 0.734 -7.826 0.858 1.00 0.00 O ATOM 0 H SER A 38 1.910 -5.944 1.233 1.00 0.00 H new ATOM 0 HA SER A 38 0.448 -5.860 -1.400 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.831 -6.527 1.235 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.938 -7.397 -0.282 1.00 0.00 H new ATOM 0 HG SER A 38 0.685 -8.647 0.325 1.00 0.00 H new ATOM 620 N PHE A 39 -1.113 -3.986 -0.897 1.00 0.00 N ATOM 621 CA PHE A 39 -1.849 -2.707 -0.663 1.00 0.00 C ATOM 622 C PHE A 39 -3.314 -3.003 -0.328 1.00 0.00 C ATOM 623 O PHE A 39 -3.919 -3.892 -0.890 1.00 0.00 O ATOM 624 CB PHE A 39 -1.741 -1.941 -1.981 1.00 0.00 C ATOM 625 CG PHE A 39 -0.379 -1.297 -2.078 1.00 0.00 C ATOM 626 CD1 PHE A 39 -0.082 -0.169 -1.304 1.00 0.00 C ATOM 627 CD2 PHE A 39 0.587 -1.828 -2.942 1.00 0.00 C ATOM 628 CE1 PHE A 39 1.182 0.427 -1.392 1.00 0.00 C ATOM 629 CE2 PHE A 39 1.851 -1.231 -3.029 1.00 0.00 C ATOM 630 CZ PHE A 39 2.148 -0.104 -2.254 1.00 0.00 C ATOM 0 H PHE A 39 -1.336 -4.459 -1.773 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.440 -2.136 0.170 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.896 -2.618 -2.821 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.520 -1.180 -2.037 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.828 0.241 -0.639 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.357 -2.697 -3.541 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.411 1.297 -0.794 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.597 -1.640 -3.694 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.123 0.356 -2.321 1.00 0.00 H new ATOM 640 N PHE A 40 -3.891 -2.274 0.584 1.00 0.00 N ATOM 641 CA PHE A 40 -5.313 -2.537 0.946 1.00 0.00 C ATOM 642 C PHE A 40 -6.258 -1.917 -0.089 1.00 0.00 C ATOM 643 O PHE A 40 -6.182 -0.743 -0.392 1.00 0.00 O ATOM 644 CB PHE A 40 -5.506 -1.876 2.311 1.00 0.00 C ATOM 645 CG PHE A 40 -5.113 -2.844 3.400 1.00 0.00 C ATOM 646 CD1 PHE A 40 -6.062 -3.727 3.928 1.00 0.00 C ATOM 647 CD2 PHE A 40 -3.798 -2.857 3.882 1.00 0.00 C ATOM 648 CE1 PHE A 40 -5.696 -4.624 4.939 1.00 0.00 C ATOM 649 CE2 PHE A 40 -3.434 -3.754 4.893 1.00 0.00 C ATOM 650 CZ PHE A 40 -4.382 -4.637 5.422 1.00 0.00 C ATOM 0 H PHE A 40 -3.444 -1.511 1.093 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.535 -3.604 0.973 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.901 -0.972 2.378 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.546 -1.574 2.437 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -7.076 -3.716 3.556 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.066 -2.176 3.474 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.428 -5.306 5.346 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.420 -3.765 5.265 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.100 -5.328 6.203 1.00 0.00 H new ATOM 660 N CYS A 41 -7.153 -2.703 -0.627 1.00 0.00 N ATOM 661 CA CYS A 41 -8.112 -2.169 -1.637 1.00 0.00 C ATOM 662 C CYS A 41 -9.523 -2.681 -1.335 1.00 0.00 C ATOM 663 O CYS A 41 -9.703 -3.635 -0.603 1.00 0.00 O ATOM 664 CB CYS A 41 -7.619 -2.710 -2.980 1.00 0.00 C ATOM 665 SG CYS A 41 -6.790 -1.387 -3.897 1.00 0.00 S ATOM 0 H CYS A 41 -7.261 -3.694 -0.410 1.00 0.00 H new ATOM 0 HA CYS A 41 -8.157 -1.080 -1.633 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.932 -3.541 -2.819 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.458 -3.097 -3.558 1.00 0.00 H new ATOM 670 N LYS A 42 -10.527 -2.057 -1.889 1.00 0.00 N ATOM 671 CA LYS A 42 -11.922 -2.516 -1.625 1.00 0.00 C ATOM 672 C LYS A 42 -12.471 -3.288 -2.823 1.00 0.00 C ATOM 673 O LYS A 42 -12.112 -3.041 -3.956 1.00 0.00 O ATOM 674 CB LYS A 42 -12.732 -1.239 -1.403 1.00 0.00 C ATOM 675 CG LYS A 42 -12.620 -0.339 -2.637 1.00 0.00 C ATOM 676 CD LYS A 42 -12.110 1.042 -2.218 1.00 0.00 C ATOM 677 CE LYS A 42 -13.117 1.692 -1.266 1.00 0.00 C ATOM 678 NZ LYS A 42 -13.962 2.558 -2.133 1.00 0.00 N ATOM 0 H LYS A 42 -10.443 -1.253 -2.510 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.970 -3.186 -0.767 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.777 -1.487 -1.215 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.366 -0.712 -0.522 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.941 -0.784 -3.364 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.591 -0.248 -3.123 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.140 0.950 -1.730 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.967 1.670 -3.097 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.718 0.941 -0.753 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.612 2.276 -0.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.678 3.038 -1.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.364 3.268 -2.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.435 1.974 -2.852 1.00 0.00 H new ATOM 692 N ASN A 43 -13.345 -4.221 -2.574 1.00 0.00 N ATOM 693 CA ASN A 43 -13.933 -5.016 -3.691 1.00 0.00 C ATOM 694 C ASN A 43 -15.418 -4.674 -3.853 1.00 0.00 C ATOM 695 O ASN A 43 -16.207 -4.854 -2.947 1.00 0.00 O ATOM 696 CB ASN A 43 -13.759 -6.476 -3.275 1.00 0.00 C ATOM 697 CG ASN A 43 -13.907 -7.377 -4.502 1.00 0.00 C ATOM 698 OD1 ASN A 43 -14.146 -6.900 -5.594 1.00 0.00 O ATOM 699 ND2 ASN A 43 -13.776 -8.668 -4.369 1.00 0.00 N ATOM 0 H ASN A 43 -13.680 -4.469 -1.643 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.452 -4.808 -4.647 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.779 -6.621 -2.820 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -14.502 -6.742 -2.523 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.874 -9.277 -5.181 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.575 -9.069 -3.453 1.00 0.00 H new ATOM 706 N LYS A 44 -15.802 -4.178 -4.996 1.00 0.00 N ATOM 707 CA LYS A 44 -17.234 -3.819 -5.211 1.00 0.00 C ATOM 708 C LYS A 44 -18.096 -5.082 -5.306 1.00 0.00 C ATOM 709 O LYS A 44 -19.234 -5.099 -4.882 1.00 0.00 O ATOM 710 CB LYS A 44 -17.255 -3.053 -6.533 1.00 0.00 C ATOM 711 CG LYS A 44 -16.582 -1.693 -6.343 1.00 0.00 C ATOM 712 CD LYS A 44 -17.545 -0.582 -6.766 1.00 0.00 C ATOM 713 CE LYS A 44 -17.592 0.496 -5.680 1.00 0.00 C ATOM 714 NZ LYS A 44 -16.757 1.611 -6.207 1.00 0.00 N ATOM 0 H LYS A 44 -15.187 -4.005 -5.791 1.00 0.00 H new ATOM 0 HA LYS A 44 -17.637 -3.227 -4.389 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.737 -3.623 -7.304 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -18.282 -2.919 -6.872 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -16.294 -1.561 -5.300 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.668 -1.642 -6.935 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -17.221 -0.147 -7.711 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -18.541 -0.993 -6.929 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -18.615 0.823 -5.493 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -17.199 0.121 -4.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.741 2.389 -5.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.787 1.272 -6.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.159 1.952 -7.104 1.00 0.00 H new ATOM 728 N GLU A 45 -17.566 -6.139 -5.858 1.00 0.00 N ATOM 729 CA GLU A 45 -18.366 -7.393 -5.976 1.00 0.00 C ATOM 730 C GLU A 45 -18.658 -7.969 -4.588 1.00 0.00 C ATOM 731 O GLU A 45 -19.799 -8.124 -4.198 1.00 0.00 O ATOM 732 CB GLU A 45 -17.487 -8.353 -6.780 1.00 0.00 C ATOM 733 CG GLU A 45 -18.345 -9.089 -7.811 1.00 0.00 C ATOM 734 CD GLU A 45 -18.536 -8.206 -9.045 1.00 0.00 C ATOM 735 OE1 GLU A 45 -18.065 -7.080 -9.023 1.00 0.00 O ATOM 736 OE2 GLU A 45 -19.150 -8.670 -9.991 1.00 0.00 O ATOM 0 H GLU A 45 -16.618 -6.190 -6.231 1.00 0.00 H new ATOM 0 HA GLU A 45 -19.329 -7.222 -6.458 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.691 -7.801 -7.281 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.007 -9.069 -6.113 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.867 -10.027 -8.093 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -19.313 -9.342 -7.379 1.00 0.00 H new ATOM 743 N LYS A 46 -17.639 -8.287 -3.839 1.00 0.00 N ATOM 744 CA LYS A 46 -17.863 -8.851 -2.476 1.00 0.00 C ATOM 745 C LYS A 46 -18.066 -7.721 -1.460 1.00 0.00 C ATOM 746 O LYS A 46 -18.390 -7.957 -0.314 1.00 0.00 O ATOM 747 CB LYS A 46 -16.593 -9.642 -2.160 1.00 0.00 C ATOM 748 CG LYS A 46 -16.277 -10.594 -3.315 1.00 0.00 C ATOM 749 CD LYS A 46 -15.403 -11.742 -2.804 1.00 0.00 C ATOM 750 CE LYS A 46 -14.184 -11.902 -3.713 1.00 0.00 C ATOM 751 NZ LYS A 46 -13.081 -12.324 -2.805 1.00 0.00 N ATOM 0 H LYS A 46 -16.661 -8.181 -4.110 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.753 -9.478 -2.430 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.758 -8.959 -2.000 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.725 -10.206 -1.237 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -17.201 -10.987 -3.740 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -15.762 -10.058 -4.112 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -15.083 -11.542 -1.781 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -15.977 -12.668 -2.783 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -14.364 -12.647 -4.488 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -13.943 -10.967 -4.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.209 -12.454 -3.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.928 -11.593 -2.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -13.336 -13.220 -2.343 1.00 0.00 H new ATOM 765 N LYS A 47 -17.883 -6.495 -1.880 1.00 0.00 N ATOM 766 CA LYS A 47 -18.069 -5.335 -0.958 1.00 0.00 C ATOM 767 C LYS A 47 -17.119 -5.425 0.242 1.00 0.00 C ATOM 768 O LYS A 47 -17.411 -4.930 1.313 1.00 0.00 O ATOM 769 CB LYS A 47 -19.523 -5.418 -0.502 1.00 0.00 C ATOM 770 CG LYS A 47 -20.438 -4.904 -1.615 1.00 0.00 C ATOM 771 CD LYS A 47 -21.557 -4.056 -1.007 1.00 0.00 C ATOM 772 CE LYS A 47 -21.060 -2.624 -0.798 1.00 0.00 C ATOM 773 NZ LYS A 47 -20.599 -2.181 -2.144 1.00 0.00 N ATOM 0 H LYS A 47 -17.610 -6.247 -2.831 1.00 0.00 H new ATOM 0 HA LYS A 47 -17.847 -4.389 -1.452 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -19.779 -6.448 -0.253 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -19.666 -4.827 0.403 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -19.864 -4.311 -2.327 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -20.862 -5.742 -2.167 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -22.426 -4.058 -1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -21.875 -4.484 -0.056 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -21.855 -1.981 -0.420 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -20.249 -2.589 -0.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -20.878 -1.191 -2.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -19.564 -2.262 -2.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -21.033 -2.781 -2.874 1.00 0.00 H new ATOM 787 N CYS A 48 -15.980 -6.033 0.068 1.00 0.00 N ATOM 788 CA CYS A 48 -15.005 -6.132 1.199 1.00 0.00 C ATOM 789 C CYS A 48 -13.635 -5.644 0.739 1.00 0.00 C ATOM 790 O CYS A 48 -13.408 -5.411 -0.433 1.00 0.00 O ATOM 791 CB CYS A 48 -14.904 -7.613 1.618 1.00 0.00 C ATOM 792 SG CYS A 48 -15.917 -8.693 0.566 1.00 0.00 S ATOM 0 H CYS A 48 -15.678 -6.466 -0.805 1.00 0.00 H new ATOM 0 HA CYS A 48 -15.338 -5.520 2.037 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -13.863 -7.933 1.569 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -15.221 -7.718 2.656 1.00 0.00 H new ATOM 797 N SER A 49 -12.717 -5.495 1.649 1.00 0.00 N ATOM 798 CA SER A 49 -11.360 -5.030 1.259 1.00 0.00 C ATOM 799 C SER A 49 -10.379 -6.201 1.264 1.00 0.00 C ATOM 800 O SER A 49 -10.660 -7.262 1.788 1.00 0.00 O ATOM 801 CB SER A 49 -10.970 -4.003 2.315 1.00 0.00 C ATOM 802 OG SER A 49 -11.601 -4.331 3.546 1.00 0.00 O ATOM 0 H SER A 49 -12.847 -5.675 2.645 1.00 0.00 H new ATOM 0 HA SER A 49 -11.345 -4.606 0.255 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.887 -3.987 2.441 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.268 -3.005 1.995 1.00 0.00 H new ATOM 0 HG SER A 49 -10.919 -4.551 4.215 1.00 0.00 H new ATOM 808 N TYR A 50 -9.228 -6.015 0.685 1.00 0.00 N ATOM 809 CA TYR A 50 -8.221 -7.114 0.650 1.00 0.00 C ATOM 810 C TYR A 50 -6.822 -6.537 0.426 1.00 0.00 C ATOM 811 O TYR A 50 -6.623 -5.339 0.464 1.00 0.00 O ATOM 812 CB TYR A 50 -8.639 -7.998 -0.526 1.00 0.00 C ATOM 813 CG TYR A 50 -8.836 -7.144 -1.756 1.00 0.00 C ATOM 814 CD1 TYR A 50 -7.732 -6.549 -2.378 1.00 0.00 C ATOM 815 CD2 TYR A 50 -10.122 -6.947 -2.274 1.00 0.00 C ATOM 816 CE1 TYR A 50 -7.913 -5.759 -3.519 1.00 0.00 C ATOM 817 CE2 TYR A 50 -10.303 -6.156 -3.416 1.00 0.00 C ATOM 818 CZ TYR A 50 -9.198 -5.562 -4.038 1.00 0.00 C ATOM 819 OH TYR A 50 -9.376 -4.783 -5.163 1.00 0.00 O ATOM 0 H TYR A 50 -8.939 -5.148 0.233 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.185 -7.675 1.584 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.877 -8.755 -0.714 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -9.561 -8.527 -0.287 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.740 -6.700 -1.977 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -10.974 -7.405 -1.793 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -7.061 -5.301 -3.999 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -11.294 -6.004 -3.817 1.00 0.00 H new ATOM 0 HH TYR A 50 -10.329 -4.750 -5.391 1.00 0.00 H new ATOM 829 N THR A 51 -5.848 -7.377 0.200 1.00 0.00 N ATOM 830 CA THR A 51 -4.466 -6.862 -0.019 1.00 0.00 C ATOM 831 C THR A 51 -3.988 -7.171 -1.438 1.00 0.00 C ATOM 832 O THR A 51 -4.300 -8.200 -2.005 1.00 0.00 O ATOM 833 CB THR A 51 -3.595 -7.597 1.000 1.00 0.00 C ATOM 834 OG1 THR A 51 -3.725 -8.999 0.807 1.00 0.00 O ATOM 835 CG2 THR A 51 -4.036 -7.229 2.417 1.00 0.00 C ATOM 0 H THR A 51 -5.948 -8.391 0.158 1.00 0.00 H new ATOM 0 HA THR A 51 -4.419 -5.780 0.102 1.00 0.00 H new ATOM 0 HB THR A 51 -2.553 -7.306 0.864 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.166 -9.472 1.458 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.413 -7.755 3.140 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.932 -6.154 2.563 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.078 -7.516 2.560 1.00 0.00 H new ATOM 843 N GLU A 52 -3.219 -6.287 -2.005 1.00 0.00 N ATOM 844 CA GLU A 52 -2.693 -6.514 -3.380 1.00 0.00 C ATOM 845 C GLU A 52 -1.168 -6.615 -3.323 1.00 0.00 C ATOM 846 O GLU A 52 -0.463 -5.651 -3.545 1.00 0.00 O ATOM 847 CB GLU A 52 -3.125 -5.285 -4.182 1.00 0.00 C ATOM 848 CG GLU A 52 -4.609 -5.400 -4.532 1.00 0.00 C ATOM 849 CD GLU A 52 -4.977 -4.330 -5.560 1.00 0.00 C ATOM 850 OE1 GLU A 52 -4.117 -3.974 -6.349 1.00 0.00 O ATOM 851 OE2 GLU A 52 -6.112 -3.883 -5.540 1.00 0.00 O ATOM 0 H GLU A 52 -2.929 -5.410 -1.573 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.067 -7.433 -3.831 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.946 -4.379 -3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.531 -5.204 -5.092 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.823 -6.391 -4.931 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.215 -5.280 -3.634 1.00 0.00 H new ATOM 858 N ASP A 53 -0.660 -7.773 -3.005 1.00 0.00 N ATOM 859 CA ASP A 53 0.816 -7.944 -2.908 1.00 0.00 C ATOM 860 C ASP A 53 1.536 -7.188 -4.024 1.00 0.00 C ATOM 861 O ASP A 53 1.075 -7.112 -5.145 1.00 0.00 O ATOM 862 CB ASP A 53 1.059 -9.443 -3.048 1.00 0.00 C ATOM 863 CG ASP A 53 0.327 -10.188 -1.929 1.00 0.00 C ATOM 864 OD1 ASP A 53 -0.052 -9.543 -0.965 1.00 0.00 O ATOM 865 OD2 ASP A 53 0.160 -11.390 -2.056 1.00 0.00 O ATOM 0 H ASP A 53 -1.206 -8.612 -2.807 1.00 0.00 H new ATOM 0 HA ASP A 53 1.199 -7.548 -1.967 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.708 -9.789 -4.020 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.127 -9.654 -3.001 1.00 0.00 H new ATOM 870 N ALA A 54 2.676 -6.643 -3.712 1.00 0.00 N ATOM 871 CA ALA A 54 3.468 -5.895 -4.729 1.00 0.00 C ATOM 872 C ALA A 54 4.921 -6.376 -4.686 1.00 0.00 C ATOM 873 O ALA A 54 5.299 -7.139 -3.819 1.00 0.00 O ATOM 874 CB ALA A 54 3.370 -4.428 -4.311 1.00 0.00 C ATOM 0 H ALA A 54 3.099 -6.684 -2.785 1.00 0.00 H new ATOM 0 HA ALA A 54 3.103 -6.043 -5.745 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.930 -3.811 -5.014 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.325 -4.119 -4.310 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.785 -4.306 -3.311 1.00 0.00 H new ATOM 880 N GLN A 55 5.743 -5.950 -5.605 1.00 0.00 N ATOM 881 CA GLN A 55 7.163 -6.410 -5.587 1.00 0.00 C ATOM 882 C GLN A 55 8.119 -5.248 -5.867 1.00 0.00 C ATOM 883 O GLN A 55 7.840 -4.376 -6.665 1.00 0.00 O ATOM 884 CB GLN A 55 7.259 -7.458 -6.695 1.00 0.00 C ATOM 885 CG GLN A 55 8.427 -8.402 -6.401 1.00 0.00 C ATOM 886 CD GLN A 55 8.770 -9.205 -7.658 1.00 0.00 C ATOM 887 OE1 GLN A 55 9.927 -9.388 -7.978 1.00 0.00 O ATOM 888 NE2 GLN A 55 7.806 -9.695 -8.388 1.00 0.00 N ATOM 0 H GLN A 55 5.498 -5.310 -6.361 1.00 0.00 H new ATOM 0 HA GLN A 55 7.442 -6.814 -4.614 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.328 -8.022 -6.759 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.404 -6.971 -7.660 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.296 -7.830 -6.075 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.165 -9.077 -5.586 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.834 -9.541 -8.119 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.024 -10.232 -9.227 1.00 0.00 H new ATOM 897 N CYS A 56 9.252 -5.241 -5.216 1.00 0.00 N ATOM 898 CA CYS A 56 10.240 -4.151 -5.440 1.00 0.00 C ATOM 899 C CYS A 56 11.392 -4.669 -6.304 1.00 0.00 C ATOM 900 O CYS A 56 11.754 -5.826 -6.242 1.00 0.00 O ATOM 901 CB CYS A 56 10.740 -3.785 -4.043 1.00 0.00 C ATOM 902 SG CYS A 56 10.588 -1.998 -3.793 1.00 0.00 S ATOM 0 H CYS A 56 9.535 -5.947 -4.536 1.00 0.00 H new ATOM 0 HA CYS A 56 9.810 -3.292 -5.956 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.163 -4.319 -3.288 1.00 0.00 H new ATOM 0 HB3 CYS A 56 11.779 -4.092 -3.926 1.00 0.00 H new ATOM 907 N ILE A 57 11.968 -3.824 -7.112 1.00 0.00 N ATOM 908 CA ILE A 57 13.092 -4.276 -7.981 1.00 0.00 C ATOM 909 C ILE A 57 14.306 -3.360 -7.800 1.00 0.00 C ATOM 910 O ILE A 57 14.298 -2.449 -6.995 1.00 0.00 O ATOM 911 CB ILE A 57 12.552 -4.186 -9.412 1.00 0.00 C ATOM 912 CG1 ILE A 57 11.125 -4.741 -9.457 1.00 0.00 C ATOM 913 CG2 ILE A 57 13.441 -5.007 -10.348 1.00 0.00 C ATOM 914 CD1 ILE A 57 11.150 -6.238 -9.144 1.00 0.00 C ATOM 0 H ILE A 57 11.711 -2.842 -7.209 1.00 0.00 H new ATOM 0 HA ILE A 57 13.422 -5.286 -7.736 1.00 0.00 H new ATOM 0 HB ILE A 57 12.550 -3.144 -9.731 1.00 0.00 H new ATOM 0 HG12 ILE A 57 10.497 -4.218 -8.735 1.00 0.00 H new ATOM 0 HG13 ILE A 57 10.688 -4.572 -10.441 1.00 0.00 H new ATOM 0 HG21 ILE A 57 13.056 -4.942 -11.366 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.458 -4.616 -10.319 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.443 -6.049 -10.027 1.00 0.00 H new ATOM 0 HD11 ILE A 57 10.135 -6.633 -9.176 1.00 0.00 H new ATOM 0 HD12 ILE A 57 11.764 -6.754 -9.882 1.00 0.00 H new ATOM 0 HD13 ILE A 57 11.569 -6.395 -8.150 1.00 0.00 H new ATOM 926 N ASP A 58 15.353 -3.606 -8.535 1.00 0.00 N ATOM 927 CA ASP A 58 16.581 -2.771 -8.407 1.00 0.00 C ATOM 928 C ASP A 58 16.269 -1.280 -8.597 1.00 0.00 C ATOM 929 O ASP A 58 16.455 -0.728 -9.662 1.00 0.00 O ATOM 930 CB ASP A 58 17.505 -3.269 -9.520 1.00 0.00 C ATOM 931 CG ASP A 58 18.963 -3.051 -9.112 1.00 0.00 C ATOM 932 OD1 ASP A 58 19.395 -3.690 -8.167 1.00 0.00 O ATOM 933 OD2 ASP A 58 19.623 -2.249 -9.752 1.00 0.00 O ATOM 0 H ASP A 58 15.412 -4.355 -9.225 1.00 0.00 H new ATOM 0 HA ASP A 58 17.028 -2.861 -7.417 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.324 -4.327 -9.710 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.293 -2.737 -10.448 1.00 0.00 H new ATOM 938 N GLY A 59 15.825 -0.618 -7.560 1.00 0.00 N ATOM 939 CA GLY A 59 15.534 0.843 -7.669 1.00 0.00 C ATOM 940 C GLY A 59 14.212 1.091 -8.401 1.00 0.00 C ATOM 941 O GLY A 59 13.754 2.212 -8.494 1.00 0.00 O ATOM 0 H GLY A 59 15.651 -1.026 -6.642 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.489 1.283 -6.673 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.346 1.340 -8.201 1.00 0.00 H new ATOM 945 N THR A 60 13.591 0.071 -8.925 1.00 0.00 N ATOM 946 CA THR A 60 12.303 0.294 -9.647 1.00 0.00 C ATOM 947 C THR A 60 11.189 -0.563 -9.048 1.00 0.00 C ATOM 948 O THR A 60 11.377 -1.722 -8.748 1.00 0.00 O ATOM 949 CB THR A 60 12.575 -0.123 -11.089 1.00 0.00 C ATOM 950 OG1 THR A 60 13.750 0.526 -11.556 1.00 0.00 O ATOM 951 CG2 THR A 60 11.386 0.273 -11.965 1.00 0.00 C ATOM 0 H THR A 60 13.913 -0.896 -8.887 1.00 0.00 H new ATOM 0 HA THR A 60 11.974 1.331 -9.574 1.00 0.00 H new ATOM 0 HB THR A 60 12.716 -1.203 -11.137 1.00 0.00 H new ATOM 0 HG1 THR A 60 13.926 0.257 -12.482 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.579 -0.024 -12.996 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.487 -0.227 -11.605 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.244 1.353 -11.919 1.00 0.00 H new ATOM 959 N ILE A 61 10.028 0.001 -8.879 1.00 0.00 N ATOM 960 CA ILE A 61 8.894 -0.780 -8.304 1.00 0.00 C ATOM 961 C ILE A 61 7.591 -0.423 -9.024 1.00 0.00 C ATOM 962 O ILE A 61 7.389 0.699 -9.443 1.00 0.00 O ATOM 963 CB ILE A 61 8.828 -0.361 -6.836 1.00 0.00 C ATOM 964 CG1 ILE A 61 7.519 -0.861 -6.223 1.00 0.00 C ATOM 965 CG2 ILE A 61 8.891 1.164 -6.733 1.00 0.00 C ATOM 966 CD1 ILE A 61 7.807 -1.510 -4.868 1.00 0.00 C ATOM 0 H ILE A 61 9.812 0.970 -9.114 1.00 0.00 H new ATOM 0 HA ILE A 61 9.034 -1.855 -8.414 1.00 0.00 H new ATOM 0 HB ILE A 61 9.671 -0.794 -6.298 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.822 -0.032 -6.101 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.044 -1.581 -6.890 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.844 1.460 -5.685 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.825 1.520 -7.169 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.050 1.600 -7.272 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.875 -1.867 -4.430 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.489 -2.350 -5.004 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.263 -0.777 -4.203 1.00 0.00 H new ATOM 978 N GLU A 62 6.707 -1.371 -9.170 1.00 0.00 N ATOM 979 CA GLU A 62 5.417 -1.086 -9.864 1.00 0.00 C ATOM 980 C GLU A 62 4.259 -1.116 -8.862 1.00 0.00 C ATOM 981 O GLU A 62 4.063 -2.084 -8.154 1.00 0.00 O ATOM 982 CB GLU A 62 5.266 -2.208 -10.893 1.00 0.00 C ATOM 983 CG GLU A 62 4.685 -1.636 -12.187 1.00 0.00 C ATOM 984 CD GLU A 62 3.165 -1.521 -12.058 1.00 0.00 C ATOM 985 OE1 GLU A 62 2.718 -0.855 -11.138 1.00 0.00 O ATOM 986 OE2 GLU A 62 2.474 -2.100 -12.879 1.00 0.00 O ATOM 0 H GLU A 62 6.821 -2.329 -8.840 1.00 0.00 H new ATOM 0 HA GLU A 62 5.407 -0.101 -10.330 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.234 -2.669 -11.089 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.614 -2.989 -10.503 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.118 -0.657 -12.391 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.941 -2.279 -13.029 1.00 0.00 H new ATOM 993 N VAL A 63 3.494 -0.062 -8.796 1.00 0.00 N ATOM 994 CA VAL A 63 2.351 -0.029 -7.839 1.00 0.00 C ATOM 995 C VAL A 63 1.085 -0.586 -8.508 1.00 0.00 C ATOM 996 O VAL A 63 0.843 -0.331 -9.671 1.00 0.00 O ATOM 997 CB VAL A 63 2.174 1.450 -7.493 1.00 0.00 C ATOM 998 CG1 VAL A 63 0.871 1.651 -6.717 1.00 0.00 C ATOM 999 CG2 VAL A 63 3.351 1.914 -6.635 1.00 0.00 C ATOM 0 H VAL A 63 3.610 0.778 -9.363 1.00 0.00 H new ATOM 0 HA VAL A 63 2.532 -0.636 -6.952 1.00 0.00 H new ATOM 0 HB VAL A 63 2.137 2.032 -8.414 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.751 2.707 -6.474 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.030 1.322 -7.327 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.902 1.068 -5.797 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.227 2.968 -6.387 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.386 1.327 -5.717 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.280 1.778 -7.188 1.00 0.00 H new ATOM 1009 N PRO A 64 0.309 -1.332 -7.753 1.00 0.00 N ATOM 1010 CA PRO A 64 -0.938 -1.923 -8.292 1.00 0.00 C ATOM 1011 C PRO A 64 -1.901 -0.824 -8.754 1.00 0.00 C ATOM 1012 O PRO A 64 -2.120 0.156 -8.069 1.00 0.00 O ATOM 1013 CB PRO A 64 -1.495 -2.691 -7.088 1.00 0.00 C ATOM 1014 CG PRO A 64 -0.531 -2.516 -5.899 1.00 0.00 C ATOM 1015 CD PRO A 64 0.635 -1.619 -6.335 1.00 0.00 C ATOM 0 HA PRO A 64 -0.783 -2.557 -9.165 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.486 -2.319 -6.828 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.605 -3.748 -7.332 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -1.053 -2.071 -5.052 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.158 -3.486 -5.570 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.690 -0.708 -5.739 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.595 -2.125 -6.234 1.00 0.00 H new ATOM 1023 N LYS A 65 -2.470 -0.978 -9.919 1.00 0.00 N ATOM 1024 CA LYS A 65 -3.412 0.055 -10.442 1.00 0.00 C ATOM 1025 C LYS A 65 -4.516 0.353 -9.424 1.00 0.00 C ATOM 1026 O LYS A 65 -5.163 1.380 -9.483 1.00 0.00 O ATOM 1027 CB LYS A 65 -4.007 -0.558 -11.710 1.00 0.00 C ATOM 1028 CG LYS A 65 -4.554 -1.953 -11.396 1.00 0.00 C ATOM 1029 CD LYS A 65 -5.639 -2.317 -12.411 1.00 0.00 C ATOM 1030 CE LYS A 65 -6.634 -3.288 -11.771 1.00 0.00 C ATOM 1031 NZ LYS A 65 -7.023 -4.222 -12.865 1.00 0.00 N ATOM 0 H LYS A 65 -2.323 -1.778 -10.534 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.907 1.001 -10.638 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.804 0.078 -12.095 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.246 -0.621 -12.488 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.749 -2.687 -11.430 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.964 -1.976 -10.386 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.156 -1.417 -12.744 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.188 -2.771 -13.294 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.181 -3.824 -10.937 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.502 -2.760 -11.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.705 -4.918 -12.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.458 -3.685 -13.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.178 -4.716 -13.217 1.00 0.00 H new ATOM 1045 N CYS A 66 -4.744 -0.532 -8.494 1.00 0.00 N ATOM 1046 CA CYS A 66 -5.814 -0.286 -7.484 1.00 0.00 C ATOM 1047 C CYS A 66 -5.346 0.742 -6.452 1.00 0.00 C ATOM 1048 O CYS A 66 -6.139 1.325 -5.739 1.00 0.00 O ATOM 1049 CB CYS A 66 -6.053 -1.643 -6.821 1.00 0.00 C ATOM 1050 SG CYS A 66 -7.527 -1.547 -5.772 1.00 0.00 S ATOM 0 H CYS A 66 -4.239 -1.412 -8.389 1.00 0.00 H new ATOM 0 HA CYS A 66 -6.722 0.113 -7.936 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.183 -2.414 -7.581 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.186 -1.927 -6.224 1.00 0.00 H new ATOM 1055 N PHE A 67 -4.065 0.969 -6.366 1.00 0.00 N ATOM 1056 CA PHE A 67 -3.549 1.959 -5.377 1.00 0.00 C ATOM 1057 C PHE A 67 -4.203 3.326 -5.603 1.00 0.00 C ATOM 1058 O PHE A 67 -4.748 3.598 -6.655 1.00 0.00 O ATOM 1059 CB PHE A 67 -2.045 2.034 -5.639 1.00 0.00 C ATOM 1060 CG PHE A 67 -1.453 3.181 -4.858 1.00 0.00 C ATOM 1061 CD1 PHE A 67 -1.471 3.159 -3.458 1.00 0.00 C ATOM 1062 CD2 PHE A 67 -0.888 4.269 -5.534 1.00 0.00 C ATOM 1063 CE1 PHE A 67 -0.923 4.225 -2.734 1.00 0.00 C ATOM 1064 CE2 PHE A 67 -0.341 5.336 -4.809 1.00 0.00 C ATOM 1065 CZ PHE A 67 -0.358 5.313 -3.410 1.00 0.00 C ATOM 0 H PHE A 67 -3.353 0.513 -6.937 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.770 1.669 -4.350 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.568 1.098 -5.349 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.857 2.170 -6.704 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -1.908 2.320 -2.937 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.874 4.286 -6.614 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.936 4.208 -1.654 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.094 6.176 -5.330 1.00 0.00 H new ATOM 0 HZ PHE A 67 0.065 6.135 -2.851 1.00 0.00 H new ATOM 1075 N LYS A 68 -4.150 4.187 -4.625 1.00 0.00 N ATOM 1076 CA LYS A 68 -4.766 5.536 -4.781 1.00 0.00 C ATOM 1077 C LYS A 68 -3.759 6.623 -4.391 1.00 0.00 C ATOM 1078 O LYS A 68 -3.745 7.097 -3.273 1.00 0.00 O ATOM 1079 CB LYS A 68 -5.957 5.541 -3.822 1.00 0.00 C ATOM 1080 CG LYS A 68 -7.259 5.610 -4.624 1.00 0.00 C ATOM 1081 CD LYS A 68 -8.411 5.998 -3.694 1.00 0.00 C ATOM 1082 CE LYS A 68 -8.710 4.838 -2.742 1.00 0.00 C ATOM 1083 NZ LYS A 68 -10.186 4.653 -2.815 1.00 0.00 N ATOM 0 H LYS A 68 -3.706 4.015 -3.723 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.070 5.736 -5.809 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.945 4.642 -3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.889 6.393 -3.145 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.165 6.340 -5.428 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.463 4.646 -5.090 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.149 6.891 -3.126 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.298 6.241 -4.278 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.183 3.933 -3.044 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.391 5.069 -1.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.470 3.873 -2.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.661 5.528 -2.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.460 4.428 -3.793 1.00 0.00 H new ATOM 1097 N GLU A 69 -2.916 7.018 -5.305 1.00 0.00 N ATOM 1098 CA GLU A 69 -1.908 8.070 -4.985 1.00 0.00 C ATOM 1099 C GLU A 69 -2.592 9.292 -4.366 1.00 0.00 C ATOM 1100 O GLU A 69 -2.193 9.776 -3.324 1.00 0.00 O ATOM 1101 CB GLU A 69 -1.274 8.435 -6.328 1.00 0.00 C ATOM 1102 CG GLU A 69 0.212 8.738 -6.127 1.00 0.00 C ATOM 1103 CD GLU A 69 0.651 9.823 -7.111 1.00 0.00 C ATOM 1104 OE1 GLU A 69 0.044 9.919 -8.165 1.00 0.00 O ATOM 1105 OE2 GLU A 69 1.585 10.541 -6.795 1.00 0.00 O ATOM 0 H GLU A 69 -2.881 6.659 -6.259 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.167 7.723 -4.265 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.396 7.614 -7.035 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.778 9.302 -6.756 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.391 9.067 -5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.802 7.834 -6.279 1.00 0.00 H new ATOM 1112 N HIS A 70 -3.616 9.798 -4.998 1.00 0.00 N ATOM 1113 CA HIS A 70 -4.316 10.990 -4.442 1.00 0.00 C ATOM 1114 C HIS A 70 -5.727 11.104 -5.025 1.00 0.00 C ATOM 1115 O HIS A 70 -6.693 11.282 -4.309 1.00 0.00 O ATOM 1116 CB HIS A 70 -3.465 12.184 -4.873 1.00 0.00 C ATOM 1117 CG HIS A 70 -3.092 13.002 -3.666 1.00 0.00 C ATOM 1118 ND1 HIS A 70 -1.886 12.834 -3.005 1.00 0.00 N ATOM 1119 CD2 HIS A 70 -3.755 13.998 -2.991 1.00 0.00 C ATOM 1120 CE1 HIS A 70 -1.859 13.710 -1.983 1.00 0.00 C ATOM 1121 NE2 HIS A 70 -2.974 14.444 -1.929 1.00 0.00 N ATOM 0 H HIS A 70 -3.997 9.438 -5.873 1.00 0.00 H new ATOM 0 HA HIS A 70 -4.426 10.932 -3.359 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -2.565 11.837 -5.382 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -4.017 12.798 -5.585 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.734 14.377 -3.246 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.036 13.808 -1.291 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -3.203 15.174 -1.255 1.00 0.00 H new ATOM 1129 N SER A 71 -5.853 11.010 -6.322 1.00 0.00 N ATOM 1130 CA SER A 71 -7.201 11.119 -6.953 1.00 0.00 C ATOM 1131 C SER A 71 -7.738 12.545 -6.798 1.00 0.00 C ATOM 1132 O SER A 71 -6.987 13.484 -6.615 1.00 0.00 O ATOM 1133 CB SER A 71 -8.082 10.127 -6.191 1.00 0.00 C ATOM 1134 OG SER A 71 -7.299 9.008 -5.800 1.00 0.00 O ATOM 0 H SER A 71 -5.081 10.862 -6.972 1.00 0.00 H new ATOM 0 HA SER A 71 -7.177 10.900 -8.021 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.515 10.607 -5.313 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.912 9.803 -6.819 1.00 0.00 H new ATOM 0 HG SER A 71 -7.812 8.451 -5.178 1.00 0.00 H new ATOM 1140 N SER A 72 -9.029 12.715 -6.869 1.00 0.00 N ATOM 1141 CA SER A 72 -9.610 14.082 -6.725 1.00 0.00 C ATOM 1142 C SER A 72 -10.217 14.250 -5.329 1.00 0.00 C ATOM 1143 O SER A 72 -11.396 14.507 -5.183 1.00 0.00 O ATOM 1144 CB SER A 72 -10.698 14.166 -7.794 1.00 0.00 C ATOM 1145 OG SER A 72 -11.717 13.220 -7.500 1.00 0.00 O ATOM 0 H SER A 72 -9.707 11.968 -7.020 1.00 0.00 H new ATOM 0 HA SER A 72 -8.861 14.865 -6.845 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.117 15.172 -7.825 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.274 13.967 -8.778 1.00 0.00 H new ATOM 0 HG SER A 72 -12.058 13.377 -6.595 1.00 0.00 H new ATOM 1151 N LEU A 73 -9.424 14.104 -4.303 1.00 0.00 N ATOM 1152 CA LEU A 73 -9.963 14.251 -2.920 1.00 0.00 C ATOM 1153 C LEU A 73 -11.309 13.530 -2.806 1.00 0.00 C ATOM 1154 O LEU A 73 -12.252 14.043 -2.239 1.00 0.00 O ATOM 1155 CB LEU A 73 -10.144 15.756 -2.720 1.00 0.00 C ATOM 1156 CG LEU A 73 -8.815 16.382 -2.293 1.00 0.00 C ATOM 1157 CD1 LEU A 73 -8.482 15.954 -0.861 1.00 0.00 C ATOM 1158 CD2 LEU A 73 -7.705 15.913 -3.236 1.00 0.00 C ATOM 0 H LEU A 73 -8.428 13.890 -4.361 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.301 13.819 -2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.494 16.216 -3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.905 15.943 -1.963 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.896 17.468 -2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.535 16.401 -0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.272 16.288 -0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.402 14.868 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.758 16.358 -2.933 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.626 14.827 -3.193 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.940 16.219 -4.255 1.00 0.00 H new ATOM 1170 N ALA A 74 -11.405 12.346 -3.348 1.00 0.00 N ATOM 1171 CA ALA A 74 -12.691 11.595 -3.277 1.00 0.00 C ATOM 1172 C ALA A 74 -12.773 10.797 -1.972 1.00 0.00 C ATOM 1173 O ALA A 74 -13.553 11.108 -1.093 1.00 0.00 O ATOM 1174 CB ALA A 74 -12.666 10.653 -4.483 1.00 0.00 C ATOM 0 H ALA A 74 -10.649 11.867 -3.837 1.00 0.00 H new ATOM 0 HA ALA A 74 -13.556 12.258 -3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -13.582 10.062 -4.502 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.592 11.238 -5.400 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.807 9.987 -4.407 1.00 0.00 H new ATOM 1180 N PHE A 75 -11.978 9.770 -1.839 1.00 0.00 N ATOM 1181 CA PHE A 75 -12.020 8.954 -0.592 1.00 0.00 C ATOM 1182 C PHE A 75 -13.375 8.247 -0.473 1.00 0.00 C ATOM 1183 O PHE A 75 -13.473 7.048 -0.634 1.00 0.00 O ATOM 1184 CB PHE A 75 -11.825 9.957 0.546 1.00 0.00 C ATOM 1185 CG PHE A 75 -11.130 9.280 1.703 1.00 0.00 C ATOM 1186 CD1 PHE A 75 -9.791 8.888 1.585 1.00 0.00 C ATOM 1187 CD2 PHE A 75 -11.827 9.043 2.893 1.00 0.00 C ATOM 1188 CE1 PHE A 75 -9.149 8.259 2.658 1.00 0.00 C ATOM 1189 CE2 PHE A 75 -11.185 8.415 3.967 1.00 0.00 C ATOM 1190 CZ PHE A 75 -9.846 8.022 3.849 1.00 0.00 C ATOM 0 H PHE A 75 -11.303 9.461 -2.538 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.257 8.176 -0.577 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -11.235 10.805 0.200 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -12.790 10.350 0.867 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.254 9.071 0.666 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -12.860 9.345 2.983 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.116 7.957 2.567 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.722 8.234 4.886 1.00 0.00 H new ATOM 0 HZ PHE A 75 -9.351 7.536 4.677 1.00 0.00 H new ATOM 1200 N TRP A 76 -14.421 8.983 -0.201 1.00 0.00 N ATOM 1201 CA TRP A 76 -15.770 8.356 -0.081 1.00 0.00 C ATOM 1202 C TRP A 76 -15.754 7.224 0.950 1.00 0.00 C ATOM 1203 O TRP A 76 -15.120 6.205 0.762 1.00 0.00 O ATOM 1204 CB TRP A 76 -16.075 7.812 -1.472 1.00 0.00 C ATOM 1205 CG TRP A 76 -17.202 8.594 -2.061 1.00 0.00 C ATOM 1206 CD1 TRP A 76 -18.509 8.408 -1.775 1.00 0.00 C ATOM 1207 CD2 TRP A 76 -17.144 9.684 -3.022 1.00 0.00 C ATOM 1208 NE1 TRP A 76 -19.260 9.310 -2.507 1.00 0.00 N ATOM 1209 CE2 TRP A 76 -18.462 10.120 -3.291 1.00 0.00 C ATOM 1210 CE3 TRP A 76 -16.085 10.328 -3.680 1.00 0.00 C ATOM 1211 CZ2 TRP A 76 -18.721 11.158 -4.185 1.00 0.00 C ATOM 1212 CZ3 TRP A 76 -16.339 11.376 -4.581 1.00 0.00 C ATOM 1213 CH2 TRP A 76 -17.655 11.790 -4.833 1.00 0.00 C ATOM 0 H TRP A 76 -14.399 9.992 -0.057 1.00 0.00 H new ATOM 0 HA TRP A 76 -16.523 9.069 0.256 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -15.192 7.886 -2.107 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -16.339 6.756 -1.414 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -18.903 7.675 -1.087 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -20.278 9.370 -2.472 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -15.068 10.016 -3.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -19.737 11.471 -4.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -15.517 11.865 -5.082 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -17.845 12.596 -5.527 1.00 0.00 H new ATOM 1224 N LYS A 77 -16.453 7.392 2.039 1.00 0.00 N ATOM 1225 CA LYS A 77 -16.483 6.324 3.081 1.00 0.00 C ATOM 1226 C LYS A 77 -15.064 6.021 3.573 1.00 0.00 C ATOM 1227 O LYS A 77 -14.205 6.880 3.591 1.00 0.00 O ATOM 1228 CB LYS A 77 -17.081 5.102 2.382 1.00 0.00 C ATOM 1229 CG LYS A 77 -18.423 5.479 1.753 1.00 0.00 C ATOM 1230 CD LYS A 77 -19.546 5.242 2.766 1.00 0.00 C ATOM 1231 CE LYS A 77 -19.929 3.761 2.768 1.00 0.00 C ATOM 1232 NZ LYS A 77 -21.407 3.747 2.953 1.00 0.00 N ATOM 0 H LYS A 77 -17.005 8.222 2.253 1.00 0.00 H new ATOM 0 HA LYS A 77 -17.065 6.618 3.955 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.397 4.738 1.615 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.218 4.291 3.098 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.411 6.524 1.445 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -18.596 4.884 0.856 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -19.222 5.546 3.761 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.413 5.852 2.513 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -19.643 3.278 1.834 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -19.425 3.224 3.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -21.746 2.764 2.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.649 4.208 3.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -21.860 4.260 2.170 1.00 0.00 H new ATOM 1246 N THR A 78 -14.814 4.802 3.973 1.00 0.00 N ATOM 1247 CA THR A 78 -13.453 4.442 4.466 1.00 0.00 C ATOM 1248 C THR A 78 -12.635 3.789 3.350 1.00 0.00 C ATOM 1249 O THR A 78 -13.127 2.964 2.605 1.00 0.00 O ATOM 1250 CB THR A 78 -13.695 3.447 5.602 1.00 0.00 C ATOM 1251 OG1 THR A 78 -14.223 4.133 6.727 1.00 0.00 O ATOM 1252 CG2 THR A 78 -12.375 2.774 5.983 1.00 0.00 C ATOM 0 H THR A 78 -15.493 4.041 3.979 1.00 0.00 H new ATOM 0 HA THR A 78 -12.893 5.316 4.798 1.00 0.00 H new ATOM 0 HB THR A 78 -14.405 2.688 5.275 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.380 3.496 7.455 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.548 2.065 6.793 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.973 2.246 5.118 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.662 3.531 6.310 1.00 0.00 H new ATOM 1260 N ASP A 79 -11.386 4.150 3.229 1.00 0.00 N ATOM 1261 CA ASP A 79 -10.536 3.546 2.162 1.00 0.00 C ATOM 1262 C ASP A 79 -10.107 2.135 2.571 1.00 0.00 C ATOM 1263 O ASP A 79 -9.921 1.849 3.737 1.00 0.00 O ATOM 1264 CB ASP A 79 -9.320 4.469 2.053 1.00 0.00 C ATOM 1265 CG ASP A 79 -8.637 4.579 3.417 1.00 0.00 C ATOM 1266 OD1 ASP A 79 -9.337 4.782 4.394 1.00 0.00 O ATOM 1267 OD2 ASP A 79 -7.423 4.462 3.460 1.00 0.00 O ATOM 0 H ASP A 79 -10.918 4.836 3.821 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.063 3.456 1.212 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.620 4.079 1.314 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.629 5.456 1.709 1.00 0.00 H new ATOM 1272 N ALA A 80 -9.956 1.252 1.618 1.00 0.00 N ATOM 1273 CA ALA A 80 -9.547 -0.150 1.938 1.00 0.00 C ATOM 1274 C ALA A 80 -8.518 -0.171 3.074 1.00 0.00 C ATOM 1275 O ALA A 80 -8.444 -1.113 3.838 1.00 0.00 O ATOM 1276 CB ALA A 80 -8.924 -0.681 0.648 1.00 0.00 C ATOM 0 H ALA A 80 -10.099 1.442 0.626 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.391 -0.754 2.271 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.596 -1.710 0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.663 -0.649 -0.153 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.068 -0.063 0.376 1.00 0.00 H new ATOM 1282 N SER A 81 -7.725 0.857 3.190 1.00 0.00 N ATOM 1283 CA SER A 81 -6.702 0.888 4.275 1.00 0.00 C ATOM 1284 C SER A 81 -7.352 0.589 5.630 1.00 0.00 C ATOM 1285 O SER A 81 -6.721 0.073 6.530 1.00 0.00 O ATOM 1286 CB SER A 81 -6.144 2.311 4.255 1.00 0.00 C ATOM 1287 OG SER A 81 -4.771 2.281 4.619 1.00 0.00 O ATOM 0 H SER A 81 -7.740 1.676 2.582 1.00 0.00 H new ATOM 0 HA SER A 81 -5.923 0.140 4.125 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.260 2.746 3.262 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.702 2.943 4.946 1.00 0.00 H new ATOM 0 HG SER A 81 -4.409 3.192 4.606 1.00 0.00 H new ATOM 1293 N ASP A 82 -8.607 0.913 5.784 1.00 0.00 N ATOM 1294 CA ASP A 82 -9.289 0.651 7.085 1.00 0.00 C ATOM 1295 C ASP A 82 -10.616 -0.077 6.863 1.00 0.00 C ATOM 1296 O ASP A 82 -11.556 0.084 7.617 1.00 0.00 O ATOM 1297 CB ASP A 82 -9.534 2.032 7.686 1.00 0.00 C ATOM 1298 CG ASP A 82 -8.194 2.711 7.978 1.00 0.00 C ATOM 1299 OD1 ASP A 82 -7.355 2.079 8.597 1.00 0.00 O ATOM 1300 OD2 ASP A 82 -8.032 3.852 7.578 1.00 0.00 O ATOM 0 H ASP A 82 -9.189 1.347 5.067 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.690 0.017 7.739 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.119 2.641 6.997 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.115 1.942 8.604 1.00 0.00 H new ATOM 1305 N VAL A 83 -10.705 -0.880 5.840 1.00 0.00 N ATOM 1306 CA VAL A 83 -11.977 -1.618 5.584 1.00 0.00 C ATOM 1307 C VAL A 83 -11.866 -3.051 6.104 1.00 0.00 C ATOM 1308 O VAL A 83 -10.786 -3.579 6.271 1.00 0.00 O ATOM 1309 CB VAL A 83 -12.150 -1.613 4.067 1.00 0.00 C ATOM 1310 CG1 VAL A 83 -13.440 -2.349 3.700 1.00 0.00 C ATOM 1311 CG2 VAL A 83 -12.231 -0.170 3.566 1.00 0.00 C ATOM 0 H VAL A 83 -9.956 -1.058 5.171 1.00 0.00 H new ATOM 0 HA VAL A 83 -12.826 -1.158 6.088 1.00 0.00 H new ATOM 0 HB VAL A 83 -11.299 -2.112 3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.565 -2.346 2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.386 -3.378 4.056 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -14.289 -1.848 4.165 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -12.354 -0.167 2.483 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -13.082 0.329 4.030 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -11.314 0.358 3.828 1.00 0.00 H new ATOM 1321 N LYS A 84 -12.977 -3.684 6.363 1.00 0.00 N ATOM 1322 CA LYS A 84 -12.931 -5.082 6.874 1.00 0.00 C ATOM 1323 C LYS A 84 -12.579 -6.048 5.731 1.00 0.00 C ATOM 1324 O LYS A 84 -13.246 -6.057 4.715 1.00 0.00 O ATOM 1325 CB LYS A 84 -14.341 -5.360 7.395 1.00 0.00 C ATOM 1326 CG LYS A 84 -15.344 -5.283 6.241 1.00 0.00 C ATOM 1327 CD LYS A 84 -16.742 -5.014 6.799 1.00 0.00 C ATOM 1328 CE LYS A 84 -17.223 -6.238 7.583 1.00 0.00 C ATOM 1329 NZ LYS A 84 -17.539 -5.723 8.946 1.00 0.00 N ATOM 0 H LYS A 84 -13.912 -3.295 6.243 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.177 -5.216 7.650 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -14.380 -6.346 7.858 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -14.603 -4.636 8.166 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.058 -4.491 5.549 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -15.339 -6.216 5.677 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -16.724 -4.138 7.447 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -17.434 -4.795 5.986 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -18.101 -6.685 7.117 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -16.454 -7.010 7.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -17.876 -6.505 9.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -16.683 -5.309 9.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -18.279 -4.995 8.879 1.00 0.00 H new ATOM 1343 N PRO A 85 -11.545 -6.832 5.924 1.00 0.00 N ATOM 1344 CA PRO A 85 -11.125 -7.799 4.884 1.00 0.00 C ATOM 1345 C PRO A 85 -12.261 -8.778 4.576 1.00 0.00 C ATOM 1346 O PRO A 85 -12.844 -9.365 5.466 1.00 0.00 O ATOM 1347 CB PRO A 85 -9.939 -8.511 5.542 1.00 0.00 C ATOM 1348 CG PRO A 85 -9.724 -7.919 6.948 1.00 0.00 C ATOM 1349 CD PRO A 85 -10.752 -6.802 7.174 1.00 0.00 C ATOM 0 HA PRO A 85 -10.868 -7.337 3.931 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -10.131 -9.582 5.608 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -9.041 -8.385 4.938 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -9.836 -8.695 7.706 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.712 -7.526 7.042 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -11.371 -6.993 8.051 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -10.272 -5.835 7.326 1.00 0.00 H new ATOM 1357 N CYS A 86 -12.579 -8.952 3.322 1.00 0.00 N ATOM 1358 CA CYS A 86 -13.679 -9.888 2.953 1.00 0.00 C ATOM 1359 C CYS A 86 -13.604 -11.159 3.804 1.00 0.00 C ATOM 1360 O CYS A 86 -12.500 -11.578 4.112 1.00 0.00 O ATOM 1361 CB CYS A 86 -13.440 -10.217 1.479 1.00 0.00 C ATOM 1362 SG CYS A 86 -15.028 -10.509 0.659 1.00 0.00 S ATOM 1363 OXT CYS A 86 -14.652 -11.690 4.133 1.00 0.00 O ATOM 0 H CYS A 86 -12.124 -8.486 2.537 1.00 0.00 H new ATOM 0 HA CYS A 86 -14.664 -9.452 3.121 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -12.913 -9.396 0.993 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -12.806 -11.099 1.391 1.00 0.00 H new TER 1368 CYS A 86