USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=22 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 17 GLN : amide:sc= 0.531 K(o=0.84,f=-4.2!) USER MOD Set 1.2: A 36 LYS NZ :NH3+ -116:sc= 0.308 (180deg=0) USER MOD Set 2.1: A 13 THR OG1 : rot 170:sc= -2.44! USER MOD Set 2.2: A 22 LYS NZ :NH3+ -161:sc= -0.206 (180deg=-1.28!) USER MOD Single : A 1 THR N :NH3+ -134:sc= 0.544 (180deg=-1.02) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.257 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 164:sc= 0.287 (180deg=0.144) 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 119:sc= 0.898 USER MOD Single : A 24 GLN : amide:sc= -3.84! C(o=-3.8!,f=-7.1!) 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= 0 X(o=0,f=0) USER MOD Single : A 31 MET CE :methyl -118:sc= -10.6! (180deg=-15.1!) USER MOD Single : A 33 HIS : no HD1:sc= -3.12! C(o=-3.1!,f=-2.8!) USER MOD Single : A 38 SER OG : rot -108:sc= 0.00115 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -2.53 K(o=-2.5,f=-16!) USER MOD Single : A 44 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0592) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -158:sc= -0.228 (180deg=-0.536) USER MOD Single : A 49 SER OG : rot -152:sc= 0.0135 USER MOD Single : A 50 TYR OH : rot -150:sc= 0.0764 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0148 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 60 THR OG1 : rot 77:sc= 0.294 USER MOD Single : A 65 LYS NZ :NH3+ -143:sc= -0.194 (180deg=-0.626) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.814 X(o=-0.81,f=-0.34) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.595 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 84:sc= 1.23 USER MOD Single : A 84 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.0103) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 24.110 -6.539 -7.388 1.00 0.00 N ATOM 2 CA THR A 1 23.746 -5.158 -6.956 1.00 0.00 C ATOM 3 C THR A 1 22.223 -5.008 -6.895 1.00 0.00 C ATOM 4 O THR A 1 21.558 -4.906 -7.906 1.00 0.00 O ATOM 5 CB THR A 1 24.333 -4.239 -8.029 1.00 0.00 C ATOM 6 OG1 THR A 1 24.393 -4.935 -9.266 1.00 0.00 O ATOM 7 CG2 THR A 1 25.741 -3.805 -7.617 1.00 0.00 C ATOM 0 H1 THR A 1 24.861 -6.909 -6.771 1.00 0.00 H new ATOM 0 H2 THR A 1 23.274 -7.155 -7.323 1.00 0.00 H new ATOM 0 H3 THR A 1 24.448 -6.517 -8.371 1.00 0.00 H new ATOM 0 HA THR A 1 24.129 -4.921 -5.963 1.00 0.00 H new ATOM 0 HB THR A 1 23.701 -3.358 -8.138 1.00 0.00 H new ATOM 0 HG1 THR A 1 24.767 -4.347 -9.955 1.00 0.00 H new ATOM 0 HG21 THR A 1 26.158 -3.150 -8.382 1.00 0.00 H new ATOM 0 HG22 THR A 1 25.694 -3.270 -6.668 1.00 0.00 H new ATOM 0 HG23 THR A 1 26.375 -4.685 -7.507 1.00 0.00 H new ATOM 17 N LYS A 2 21.668 -4.995 -5.714 1.00 0.00 N ATOM 18 CA LYS A 2 20.188 -4.852 -5.588 1.00 0.00 C ATOM 19 C LYS A 2 19.828 -3.432 -5.139 1.00 0.00 C ATOM 20 O LYS A 2 20.083 -3.041 -4.018 1.00 0.00 O ATOM 21 CB LYS A 2 19.784 -5.871 -4.521 1.00 0.00 C ATOM 22 CG LYS A 2 20.125 -7.282 -5.005 1.00 0.00 C ATOM 23 CD LYS A 2 21.159 -7.911 -4.069 1.00 0.00 C ATOM 24 CE LYS A 2 22.510 -7.997 -4.782 1.00 0.00 C ATOM 25 NZ LYS A 2 23.417 -8.667 -3.808 1.00 0.00 N ATOM 0 H LYS A 2 22.173 -5.077 -4.832 1.00 0.00 H new ATOM 0 HA LYS A 2 19.674 -5.024 -6.534 1.00 0.00 H new ATOM 0 HB2 LYS A 2 20.304 -5.660 -3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 2 18.716 -5.794 -4.316 1.00 0.00 H new ATOM 0 HG2 LYS A 2 19.224 -7.895 -5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 2 20.516 -7.244 -6.022 1.00 0.00 H new ATOM 0 HD2 LYS A 2 21.253 -7.315 -3.161 1.00 0.00 H new ATOM 0 HD3 LYS A 2 20.832 -8.906 -3.765 1.00 0.00 H new ATOM 0 HE2 LYS A 2 22.433 -8.568 -5.707 1.00 0.00 H new ATOM 0 HE3 LYS A 2 22.879 -7.007 -5.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 24.365 -8.762 -4.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 23.476 -8.097 -2.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 23.044 -9.610 -3.578 1.00 0.00 H new ATOM 39 N ALA A 3 19.236 -2.659 -6.009 1.00 0.00 N ATOM 40 CA ALA A 3 18.860 -1.265 -5.635 1.00 0.00 C ATOM 41 C ALA A 3 17.487 -1.252 -4.957 1.00 0.00 C ATOM 42 O ALA A 3 16.522 -1.774 -5.478 1.00 0.00 O ATOM 43 CB ALA A 3 18.812 -0.500 -6.958 1.00 0.00 C ATOM 0 H ALA A 3 18.997 -2.932 -6.962 1.00 0.00 H new ATOM 0 HA ALA A 3 19.565 -0.821 -4.933 1.00 0.00 H new ATOM 0 HB1 ALA A 3 18.541 0.539 -6.768 1.00 0.00 H new ATOM 0 HB2 ALA A 3 19.791 -0.538 -7.436 1.00 0.00 H new ATOM 0 HB3 ALA A 3 18.070 -0.954 -7.614 1.00 0.00 H new ATOM 49 N SER A 4 17.391 -0.657 -3.800 1.00 0.00 N ATOM 50 CA SER A 4 16.079 -0.611 -3.093 1.00 0.00 C ATOM 51 C SER A 4 15.026 0.059 -3.981 1.00 0.00 C ATOM 52 O SER A 4 15.163 0.110 -5.187 1.00 0.00 O ATOM 53 CB SER A 4 16.334 0.223 -1.838 1.00 0.00 C ATOM 54 OG SER A 4 16.620 1.563 -2.217 1.00 0.00 O ATOM 0 H SER A 4 18.163 -0.201 -3.314 1.00 0.00 H new ATOM 0 HA SER A 4 15.704 -1.605 -2.850 1.00 0.00 H new ATOM 0 HB2 SER A 4 15.462 0.195 -1.185 1.00 0.00 H new ATOM 0 HB3 SER A 4 17.168 -0.194 -1.273 1.00 0.00 H new ATOM 0 HG SER A 4 16.783 2.102 -1.415 1.00 0.00 H new ATOM 60 N CYS A 5 13.978 0.572 -3.397 1.00 0.00 N ATOM 61 CA CYS A 5 12.922 1.237 -4.213 1.00 0.00 C ATOM 62 C CYS A 5 12.728 2.685 -3.750 1.00 0.00 C ATOM 63 O CYS A 5 13.480 3.195 -2.944 1.00 0.00 O ATOM 64 CB CYS A 5 11.653 0.419 -3.967 1.00 0.00 C ATOM 65 SG CYS A 5 11.646 -1.030 -5.052 1.00 0.00 S ATOM 0 H CYS A 5 13.807 0.560 -2.392 1.00 0.00 H new ATOM 0 HA CYS A 5 13.182 1.275 -5.271 1.00 0.00 H new ATOM 0 HB2 CYS A 5 11.607 0.105 -2.924 1.00 0.00 H new ATOM 0 HB3 CYS A 5 10.771 1.031 -4.155 1.00 0.00 H new ATOM 70 N LYS A 6 11.723 3.349 -4.254 1.00 0.00 N ATOM 71 CA LYS A 6 11.482 4.763 -3.845 1.00 0.00 C ATOM 72 C LYS A 6 10.029 4.942 -3.397 1.00 0.00 C ATOM 73 O LYS A 6 9.115 4.902 -4.195 1.00 0.00 O ATOM 74 CB LYS A 6 11.765 5.599 -5.095 1.00 0.00 C ATOM 75 CG LYS A 6 11.164 4.909 -6.323 1.00 0.00 C ATOM 76 CD LYS A 6 10.941 5.939 -7.431 1.00 0.00 C ATOM 77 CE LYS A 6 12.279 6.272 -8.093 1.00 0.00 C ATOM 78 NZ LYS A 6 12.376 5.343 -9.253 1.00 0.00 N ATOM 0 H LYS A 6 11.059 2.974 -4.931 1.00 0.00 H new ATOM 0 HA LYS A 6 12.113 5.061 -3.008 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.340 6.596 -4.981 1.00 0.00 H new ATOM 0 HB3 LYS A 6 12.840 5.724 -5.225 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.831 4.121 -6.673 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.220 4.433 -6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.244 5.547 -8.172 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.493 6.842 -7.018 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.311 7.312 -8.417 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.109 6.128 -7.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.113 5.679 -9.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.621 4.390 -8.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.462 5.310 -9.749 1.00 0.00 H new ATOM 92 N LEU A 7 9.815 5.139 -2.124 1.00 0.00 N ATOM 93 CA LEU A 7 8.425 5.322 -1.612 1.00 0.00 C ATOM 94 C LEU A 7 7.606 6.188 -2.580 1.00 0.00 C ATOM 95 O LEU A 7 7.737 7.396 -2.584 1.00 0.00 O ATOM 96 CB LEU A 7 8.599 6.039 -0.274 1.00 0.00 C ATOM 97 CG LEU A 7 9.543 7.230 -0.454 1.00 0.00 C ATOM 98 CD1 LEU A 7 8.785 8.529 -0.177 1.00 0.00 C ATOM 99 CD2 LEU A 7 10.713 7.105 0.524 1.00 0.00 C ATOM 0 H LEU A 7 10.546 5.181 -1.413 1.00 0.00 H new ATOM 0 HA LEU A 7 7.893 4.376 -1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.632 6.380 0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.001 5.351 0.470 1.00 0.00 H new ATOM 0 HG LEU A 7 9.922 7.241 -1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.458 9.377 -0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.951 8.619 -0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.406 8.518 0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 7 11.386 7.953 0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 7 10.333 7.093 1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 7 11.254 6.180 0.327 1.00 0.00 H new ATOM 111 N PRO A 8 6.784 5.544 -3.375 1.00 0.00 N ATOM 112 CA PRO A 8 5.943 6.274 -4.353 1.00 0.00 C ATOM 113 C PRO A 8 4.974 7.219 -3.637 1.00 0.00 C ATOM 114 O PRO A 8 4.530 8.205 -4.191 1.00 0.00 O ATOM 115 CB PRO A 8 5.186 5.144 -5.058 1.00 0.00 C ATOM 116 CG PRO A 8 5.625 3.798 -4.450 1.00 0.00 C ATOM 117 CD PRO A 8 6.651 4.068 -3.341 1.00 0.00 C ATOM 0 HA PRO A 8 6.516 6.901 -5.036 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.111 5.279 -4.940 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.394 5.161 -6.128 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.763 3.267 -4.046 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.060 3.160 -5.219 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.301 3.715 -2.371 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.601 3.571 -3.538 1.00 0.00 H new ATOM 125 N VAL A 9 4.641 6.925 -2.410 1.00 0.00 N ATOM 126 CA VAL A 9 3.697 7.806 -1.662 1.00 0.00 C ATOM 127 C VAL A 9 4.300 8.196 -0.308 1.00 0.00 C ATOM 128 O VAL A 9 5.424 7.855 0.002 1.00 0.00 O ATOM 129 CB VAL A 9 2.434 6.966 -1.467 1.00 0.00 C ATOM 130 CG1 VAL A 9 1.261 7.881 -1.109 1.00 0.00 C ATOM 131 CG2 VAL A 9 2.111 6.213 -2.762 1.00 0.00 C ATOM 0 H VAL A 9 4.981 6.114 -1.893 1.00 0.00 H new ATOM 0 HA VAL A 9 3.487 8.733 -2.196 1.00 0.00 H new ATOM 0 HB VAL A 9 2.599 6.251 -0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.361 7.282 -0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.486 8.417 -0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.099 8.597 -1.915 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.211 5.615 -2.620 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.948 6.929 -3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.944 5.559 -3.020 1.00 0.00 H new ATOM 141 N LYS A 10 3.562 8.909 0.498 1.00 0.00 N ATOM 142 CA LYS A 10 4.096 9.320 1.829 1.00 0.00 C ATOM 143 C LYS A 10 3.272 8.688 2.954 1.00 0.00 C ATOM 144 O LYS A 10 3.607 8.796 4.116 1.00 0.00 O ATOM 145 CB LYS A 10 3.954 10.843 1.857 1.00 0.00 C ATOM 146 CG LYS A 10 5.275 11.470 2.306 1.00 0.00 C ATOM 147 CD LYS A 10 5.377 12.893 1.756 1.00 0.00 C ATOM 148 CE LYS A 10 6.425 13.674 2.553 1.00 0.00 C ATOM 149 NZ LYS A 10 6.742 14.862 1.712 1.00 0.00 N ATOM 0 H LYS A 10 2.614 9.225 0.294 1.00 0.00 H new ATOM 0 HA LYS A 10 5.128 9.000 1.974 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.682 11.212 0.868 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.152 11.132 2.537 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.332 11.485 3.394 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.113 10.871 1.951 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.651 12.868 0.701 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.409 13.390 1.822 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.038 13.972 3.528 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.314 13.070 2.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.455 15.447 2.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.114 14.548 0.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.878 15.422 1.562 1.00 0.00 H new ATOM 163 N LYS A 11 2.195 8.031 2.620 1.00 0.00 N ATOM 164 CA LYS A 11 1.353 7.397 3.676 1.00 0.00 C ATOM 165 C LYS A 11 0.739 6.096 3.151 1.00 0.00 C ATOM 166 O LYS A 11 -0.439 5.845 3.309 1.00 0.00 O ATOM 167 CB LYS A 11 0.261 8.424 3.976 1.00 0.00 C ATOM 168 CG LYS A 11 -0.248 8.225 5.404 1.00 0.00 C ATOM 169 CD LYS A 11 -0.136 9.542 6.175 1.00 0.00 C ATOM 170 CE LYS A 11 -0.655 9.345 7.601 1.00 0.00 C ATOM 171 NZ LYS A 11 -1.432 10.579 7.901 1.00 0.00 N ATOM 0 H LYS A 11 1.862 7.906 1.664 1.00 0.00 H new ATOM 0 HA LYS A 11 1.927 7.139 4.566 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.654 9.434 3.856 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.560 8.315 3.267 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.284 7.888 5.388 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.332 7.449 5.903 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.901 9.875 6.197 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.710 10.320 5.672 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.282 8.456 7.674 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.166 9.214 8.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.821 10.519 8.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.808 11.408 7.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.211 10.673 7.218 1.00 0.00 H new ATOM 185 N ALA A 12 1.528 5.268 2.524 1.00 0.00 N ATOM 186 CA ALA A 12 0.988 3.986 1.986 1.00 0.00 C ATOM 187 C ALA A 12 1.117 2.866 3.025 1.00 0.00 C ATOM 188 O ALA A 12 2.168 2.653 3.595 1.00 0.00 O ATOM 189 CB ALA A 12 1.847 3.683 0.757 1.00 0.00 C ATOM 0 H ALA A 12 2.523 5.423 2.361 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.071 4.059 1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.513 2.751 0.301 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.750 4.495 0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.890 3.586 1.057 1.00 0.00 H new ATOM 195 N THR A 13 0.055 2.144 3.268 1.00 0.00 N ATOM 196 CA THR A 13 0.114 1.029 4.260 1.00 0.00 C ATOM 197 C THR A 13 0.053 -0.315 3.531 1.00 0.00 C ATOM 198 O THR A 13 -0.941 -0.652 2.917 1.00 0.00 O ATOM 199 CB THR A 13 -1.120 1.217 5.144 1.00 0.00 C ATOM 200 OG1 THR A 13 -1.041 2.472 5.806 1.00 0.00 O ATOM 201 CG2 THR A 13 -1.184 0.094 6.181 1.00 0.00 C ATOM 0 H THR A 13 -0.852 2.278 2.822 1.00 0.00 H new ATOM 0 HA THR A 13 1.034 1.038 4.844 1.00 0.00 H new ATOM 0 HB THR A 13 -2.017 1.188 4.526 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.897 2.666 6.243 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.064 0.229 6.810 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.246 -0.868 5.672 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.288 0.119 6.801 1.00 0.00 H new ATOM 209 N VAL A 14 1.107 -1.082 3.585 1.00 0.00 N ATOM 210 CA VAL A 14 1.103 -2.397 2.883 1.00 0.00 C ATOM 211 C VAL A 14 1.255 -3.545 3.885 1.00 0.00 C ATOM 212 O VAL A 14 1.310 -3.338 5.081 1.00 0.00 O ATOM 213 CB VAL A 14 2.305 -2.346 1.942 1.00 0.00 C ATOM 214 CG1 VAL A 14 2.271 -1.043 1.141 1.00 0.00 C ATOM 215 CG2 VAL A 14 3.596 -2.405 2.761 1.00 0.00 C ATOM 0 H VAL A 14 1.968 -0.856 4.083 1.00 0.00 H new ATOM 0 HA VAL A 14 0.169 -2.571 2.348 1.00 0.00 H new ATOM 0 HB VAL A 14 2.267 -3.195 1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.129 -1.006 0.469 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.351 -0.998 0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.309 -0.195 1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.454 -2.369 2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.633 -1.556 3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.622 -3.332 3.333 1.00 0.00 H new ATOM 225 N VAL A 15 1.326 -4.755 3.399 1.00 0.00 N ATOM 226 CA VAL A 15 1.475 -5.923 4.313 1.00 0.00 C ATOM 227 C VAL A 15 2.738 -6.710 3.954 1.00 0.00 C ATOM 228 O VAL A 15 2.951 -7.072 2.814 1.00 0.00 O ATOM 229 CB VAL A 15 0.227 -6.771 4.074 1.00 0.00 C ATOM 230 CG1 VAL A 15 0.223 -7.959 5.038 1.00 0.00 C ATOM 231 CG2 VAL A 15 -1.021 -5.917 4.310 1.00 0.00 C ATOM 0 H VAL A 15 1.287 -4.985 2.406 1.00 0.00 H new ATOM 0 HA VAL A 15 1.571 -5.626 5.357 1.00 0.00 H new ATOM 0 HB VAL A 15 0.228 -7.138 3.048 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.668 -8.563 4.867 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.112 -8.567 4.870 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.222 -7.594 6.065 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.912 -6.521 4.140 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.022 -5.550 5.336 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.019 -5.071 3.622 1.00 0.00 H new ATOM 241 N TYR A 16 3.578 -6.975 4.916 1.00 0.00 N ATOM 242 CA TYR A 16 4.826 -7.735 4.625 1.00 0.00 C ATOM 243 C TYR A 16 4.608 -9.233 4.856 1.00 0.00 C ATOM 244 O TYR A 16 5.410 -9.897 5.483 1.00 0.00 O ATOM 245 CB TYR A 16 5.863 -7.182 5.603 1.00 0.00 C ATOM 246 CG TYR A 16 7.234 -7.255 4.974 1.00 0.00 C ATOM 247 CD1 TYR A 16 7.630 -8.413 4.292 1.00 0.00 C ATOM 248 CD2 TYR A 16 8.110 -6.168 5.075 1.00 0.00 C ATOM 249 CE1 TYR A 16 8.900 -8.482 3.709 1.00 0.00 C ATOM 250 CE2 TYR A 16 9.382 -6.237 4.492 1.00 0.00 C ATOM 251 CZ TYR A 16 9.776 -7.395 3.809 1.00 0.00 C ATOM 252 OH TYR A 16 11.029 -7.463 3.235 1.00 0.00 O ATOM 0 H TYR A 16 3.454 -6.699 5.890 1.00 0.00 H new ATOM 0 HA TYR A 16 5.143 -7.623 3.588 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.623 -6.150 5.860 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.845 -7.754 6.531 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.955 -9.253 4.216 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.805 -5.276 5.602 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.204 -9.374 3.182 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.058 -5.398 4.569 1.00 0.00 H new ATOM 0 HH TYR A 16 11.119 -6.757 2.561 1.00 0.00 H new ATOM 262 N GLN A 17 3.533 -9.771 4.347 1.00 0.00 N ATOM 263 CA GLN A 17 3.270 -11.228 4.529 1.00 0.00 C ATOM 264 C GLN A 17 3.210 -11.585 6.017 1.00 0.00 C ATOM 265 O GLN A 17 3.872 -12.497 6.469 1.00 0.00 O ATOM 266 CB GLN A 17 4.454 -11.926 3.865 1.00 0.00 C ATOM 267 CG GLN A 17 4.727 -11.287 2.503 1.00 0.00 C ATOM 268 CD GLN A 17 5.357 -12.324 1.570 1.00 0.00 C ATOM 269 OE1 GLN A 17 4.802 -12.645 0.539 1.00 0.00 O ATOM 270 NE2 GLN A 17 6.500 -12.864 1.893 1.00 0.00 N ATOM 0 H GLN A 17 2.826 -9.265 3.813 1.00 0.00 H new ATOM 0 HA GLN A 17 2.316 -11.527 4.096 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.337 -11.848 4.499 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.242 -12.988 3.744 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.798 -10.912 2.073 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.394 -10.432 2.617 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.965 -12.593 2.759 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.928 -13.557 1.279 1.00 0.00 H new ATOM 279 N GLY A 18 2.421 -10.881 6.779 1.00 0.00 N ATOM 280 CA GLY A 18 2.328 -11.194 8.233 1.00 0.00 C ATOM 281 C GLY A 18 1.976 -9.926 9.011 1.00 0.00 C ATOM 282 O GLY A 18 1.099 -9.927 9.853 1.00 0.00 O ATOM 0 H GLY A 18 1.839 -10.106 6.461 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.570 -11.959 8.403 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.275 -11.600 8.589 1.00 0.00 H new ATOM 286 N GLU A 19 2.653 -8.845 8.742 1.00 0.00 N ATOM 287 CA GLU A 19 2.354 -7.580 9.474 1.00 0.00 C ATOM 288 C GLU A 19 2.028 -6.458 8.486 1.00 0.00 C ATOM 289 O GLU A 19 2.179 -6.607 7.290 1.00 0.00 O ATOM 290 CB GLU A 19 3.633 -7.261 10.249 1.00 0.00 C ATOM 291 CG GLU A 19 3.485 -7.738 11.696 1.00 0.00 C ATOM 292 CD GLU A 19 4.707 -8.570 12.088 1.00 0.00 C ATOM 293 OE1 GLU A 19 5.736 -7.979 12.370 1.00 0.00 O ATOM 294 OE2 GLU A 19 4.593 -9.784 12.100 1.00 0.00 O ATOM 0 H GLU A 19 3.399 -8.781 8.049 1.00 0.00 H new ATOM 0 HA GLU A 19 1.491 -7.678 10.133 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.487 -7.749 9.779 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.827 -6.189 10.226 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.386 -6.882 12.364 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.578 -8.333 11.803 1.00 0.00 H new ATOM 301 N ARG A 20 1.581 -5.333 8.975 1.00 0.00 N ATOM 302 CA ARG A 20 1.250 -4.202 8.062 1.00 0.00 C ATOM 303 C ARG A 20 1.816 -2.895 8.622 1.00 0.00 C ATOM 304 O ARG A 20 1.833 -2.678 9.818 1.00 0.00 O ATOM 305 CB ARG A 20 -0.277 -4.155 8.025 1.00 0.00 C ATOM 306 CG ARG A 20 -0.825 -5.567 7.809 1.00 0.00 C ATOM 307 CD ARG A 20 -1.138 -6.206 9.163 1.00 0.00 C ATOM 308 NE ARG A 20 -2.549 -6.669 9.051 1.00 0.00 N ATOM 309 CZ ARG A 20 -3.396 -6.414 10.009 1.00 0.00 C ATOM 310 NH1 ARG A 20 -3.127 -6.780 11.231 1.00 0.00 N ATOM 311 NH2 ARG A 20 -4.513 -5.792 9.744 1.00 0.00 N ATOM 0 H ARG A 20 1.431 -5.148 9.967 1.00 0.00 H new ATOM 0 HA ARG A 20 1.675 -4.333 7.067 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.662 -3.743 8.958 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.612 -3.497 7.223 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.726 -5.529 7.196 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.097 -6.172 7.269 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.465 -7.037 9.373 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.021 -5.488 9.975 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.853 -7.185 8.225 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.254 -7.266 11.437 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.789 -6.581 11.981 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.723 -5.506 8.788 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.176 -5.592 10.493 1.00 0.00 H new ATOM 325 N VAL A 21 2.283 -2.024 7.770 1.00 0.00 N ATOM 326 CA VAL A 21 2.849 -0.735 8.261 1.00 0.00 C ATOM 327 C VAL A 21 2.854 0.302 7.138 1.00 0.00 C ATOM 328 O VAL A 21 2.394 0.048 6.043 1.00 0.00 O ATOM 329 CB VAL A 21 4.279 -1.065 8.694 1.00 0.00 C ATOM 330 CG1 VAL A 21 4.250 -1.810 10.030 1.00 0.00 C ATOM 331 CG2 VAL A 21 4.943 -1.948 7.636 1.00 0.00 C ATOM 0 H VAL A 21 2.297 -2.148 6.758 1.00 0.00 H new ATOM 0 HA VAL A 21 2.264 -0.314 9.079 1.00 0.00 H new ATOM 0 HB VAL A 21 4.845 -0.140 8.805 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.269 -2.045 10.338 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.778 -1.183 10.786 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.682 -2.734 9.919 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.962 -2.183 7.945 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.376 -2.872 7.525 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.966 -1.419 6.683 1.00 0.00 H new ATOM 341 N LYS A 22 3.372 1.469 7.401 1.00 0.00 N ATOM 342 CA LYS A 22 3.406 2.521 6.347 1.00 0.00 C ATOM 343 C LYS A 22 4.784 2.556 5.679 1.00 0.00 C ATOM 344 O LYS A 22 5.783 2.839 6.309 1.00 0.00 O ATOM 345 CB LYS A 22 3.132 3.830 7.088 1.00 0.00 C ATOM 346 CG LYS A 22 2.385 4.793 6.164 1.00 0.00 C ATOM 347 CD LYS A 22 0.943 4.316 5.985 1.00 0.00 C ATOM 348 CE LYS A 22 0.064 4.924 7.079 1.00 0.00 C ATOM 349 NZ LYS A 22 -0.089 3.846 8.096 1.00 0.00 N ATOM 0 H LYS A 22 3.773 1.740 8.299 1.00 0.00 H new ATOM 0 HA LYS A 22 2.677 2.340 5.557 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.541 3.637 7.983 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.070 4.278 7.416 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.397 5.799 6.584 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.884 4.846 5.196 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.572 4.607 5.002 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.900 3.228 6.032 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.528 5.811 7.511 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.903 5.232 6.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.912 4.051 8.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.230 2.934 7.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.768 3.799 8.684 1.00 0.00 H new ATOM 363 N ILE A 23 4.844 2.267 4.408 1.00 0.00 N ATOM 364 CA ILE A 23 6.156 2.280 3.700 1.00 0.00 C ATOM 365 C ILE A 23 6.863 3.621 3.919 1.00 0.00 C ATOM 366 O ILE A 23 8.074 3.691 3.983 1.00 0.00 O ATOM 367 CB ILE A 23 5.810 2.092 2.224 1.00 0.00 C ATOM 368 CG1 ILE A 23 7.078 2.239 1.379 1.00 0.00 C ATOM 369 CG2 ILE A 23 4.793 3.151 1.801 1.00 0.00 C ATOM 370 CD1 ILE A 23 6.709 2.197 -0.105 1.00 0.00 C ATOM 0 H ILE A 23 4.041 2.022 3.829 1.00 0.00 H new ATOM 0 HA ILE A 23 6.829 1.504 4.064 1.00 0.00 H new ATOM 0 HB ILE A 23 5.386 1.099 2.074 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.578 3.179 1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.779 1.438 1.613 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.546 3.018 0.748 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.889 3.048 2.402 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.218 4.144 1.951 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.611 2.302 -0.707 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.228 1.246 -0.334 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.024 3.014 -0.333 1.00 0.00 H new ATOM 382 N GLN A 24 6.116 4.686 4.033 1.00 0.00 N ATOM 383 CA GLN A 24 6.750 6.019 4.245 1.00 0.00 C ATOM 384 C GLN A 24 7.611 6.003 5.512 1.00 0.00 C ATOM 385 O GLN A 24 8.468 6.842 5.701 1.00 0.00 O ATOM 386 CB GLN A 24 5.583 6.996 4.397 1.00 0.00 C ATOM 387 CG GLN A 24 4.708 6.567 5.574 1.00 0.00 C ATOM 388 CD GLN A 24 4.844 7.584 6.709 1.00 0.00 C ATOM 389 OE1 GLN A 24 5.923 8.080 6.968 1.00 0.00 O ATOM 390 NE2 GLN A 24 3.789 7.917 7.399 1.00 0.00 N ATOM 0 H GLN A 24 5.097 4.691 3.989 1.00 0.00 H new ATOM 0 HA GLN A 24 7.407 6.298 3.422 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.959 8.006 4.559 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.993 7.019 3.481 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.667 6.494 5.259 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.006 5.577 5.921 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.884 7.500 7.180 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.869 8.595 8.157 1.00 0.00 H new ATOM 399 N GLU A 25 7.390 5.053 6.381 1.00 0.00 N ATOM 400 CA GLU A 25 8.198 4.982 7.633 1.00 0.00 C ATOM 401 C GLU A 25 9.055 3.712 7.636 1.00 0.00 C ATOM 402 O GLU A 25 10.264 3.768 7.536 1.00 0.00 O ATOM 403 CB GLU A 25 7.173 4.938 8.767 1.00 0.00 C ATOM 404 CG GLU A 25 6.661 6.351 9.052 1.00 0.00 C ATOM 405 CD GLU A 25 6.984 6.730 10.499 1.00 0.00 C ATOM 406 OE1 GLU A 25 8.093 6.457 10.928 1.00 0.00 O ATOM 407 OE2 GLU A 25 6.118 7.287 11.153 1.00 0.00 O ATOM 0 H GLU A 25 6.685 4.323 6.278 1.00 0.00 H new ATOM 0 HA GLU A 25 8.879 5.827 7.733 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.342 4.287 8.494 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.626 4.517 9.664 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.124 7.062 8.367 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.585 6.400 8.884 1.00 0.00 H new ATOM 414 N LYS A 26 8.436 2.568 7.748 1.00 0.00 N ATOM 415 CA LYS A 26 9.215 1.296 7.753 1.00 0.00 C ATOM 416 C LYS A 26 10.222 1.292 6.601 1.00 0.00 C ATOM 417 O LYS A 26 11.259 0.662 6.670 1.00 0.00 O ATOM 418 CB LYS A 26 8.175 0.194 7.562 1.00 0.00 C ATOM 419 CG LYS A 26 8.877 -1.164 7.490 1.00 0.00 C ATOM 420 CD LYS A 26 9.518 -1.479 8.844 1.00 0.00 C ATOM 421 CE LYS A 26 10.887 -2.127 8.625 1.00 0.00 C ATOM 422 NZ LYS A 26 11.849 -1.245 9.341 1.00 0.00 N ATOM 0 H LYS A 26 7.426 2.459 7.836 1.00 0.00 H new ATOM 0 HA LYS A 26 9.784 1.162 8.673 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.463 0.204 8.388 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.606 0.370 6.649 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.161 -1.942 7.225 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.638 -1.151 6.710 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.626 -0.565 9.428 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.875 -2.148 9.415 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.911 -3.142 9.022 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.127 -2.194 7.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.812 -1.624 9.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.809 -0.287 8.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.600 -1.206 10.350 1.00 0.00 H new ATOM 436 N PHE A 27 9.924 1.995 5.543 1.00 0.00 N ATOM 437 CA PHE A 27 10.861 2.039 4.384 1.00 0.00 C ATOM 438 C PHE A 27 11.239 3.490 4.073 1.00 0.00 C ATOM 439 O PHE A 27 11.308 3.895 2.930 1.00 0.00 O ATOM 440 CB PHE A 27 10.081 1.422 3.221 1.00 0.00 C ATOM 441 CG PHE A 27 9.751 -0.015 3.547 1.00 0.00 C ATOM 442 CD1 PHE A 27 10.751 -0.874 4.018 1.00 0.00 C ATOM 443 CD2 PHE A 27 8.444 -0.489 3.379 1.00 0.00 C ATOM 444 CE1 PHE A 27 10.445 -2.206 4.320 1.00 0.00 C ATOM 445 CE2 PHE A 27 8.138 -1.821 3.681 1.00 0.00 C ATOM 446 CZ PHE A 27 9.138 -2.680 4.152 1.00 0.00 C ATOM 0 H PHE A 27 9.070 2.542 5.431 1.00 0.00 H new ATOM 0 HA PHE A 27 11.790 1.502 4.578 1.00 0.00 H new ATOM 0 HB2 PHE A 27 9.165 1.986 3.043 1.00 0.00 H new ATOM 0 HB3 PHE A 27 10.670 1.473 2.305 1.00 0.00 H new ATOM 0 HD1 PHE A 27 11.759 -0.509 4.148 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.672 0.173 3.016 1.00 0.00 H new ATOM 0 HE1 PHE A 27 11.217 -2.868 4.683 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.130 -2.186 3.551 1.00 0.00 H new ATOM 0 HZ PHE A 27 8.902 -3.708 4.386 1.00 0.00 H new ATOM 456 N LYS A 28 11.483 4.276 5.088 1.00 0.00 N ATOM 457 CA LYS A 28 11.855 5.703 4.859 1.00 0.00 C ATOM 458 C LYS A 28 12.900 5.808 3.746 1.00 0.00 C ATOM 459 O LYS A 28 12.888 6.732 2.957 1.00 0.00 O ATOM 460 CB LYS A 28 12.438 6.178 6.191 1.00 0.00 C ATOM 461 CG LYS A 28 11.449 7.128 6.871 1.00 0.00 C ATOM 462 CD LYS A 28 11.215 6.676 8.313 1.00 0.00 C ATOM 463 CE LYS A 28 12.308 7.255 9.214 1.00 0.00 C ATOM 464 NZ LYS A 28 12.811 6.096 10.004 1.00 0.00 N ATOM 0 H LYS A 28 11.441 3.991 6.067 1.00 0.00 H new ATOM 0 HA LYS A 28 11.002 6.307 4.548 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.641 5.324 6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.389 6.684 6.024 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.838 8.146 6.857 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.506 7.140 6.325 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.234 7.007 8.654 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.221 5.587 8.370 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.106 7.707 8.625 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.911 8.034 9.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.564 6.414 10.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.031 5.690 10.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.189 5.374 9.358 1.00 0.00 H new ATOM 478 N ASN A 29 13.802 4.868 3.673 1.00 0.00 N ATOM 479 CA ASN A 29 14.843 4.917 2.607 1.00 0.00 C ATOM 480 C ASN A 29 14.460 3.982 1.458 1.00 0.00 C ATOM 481 O ASN A 29 15.275 3.237 0.952 1.00 0.00 O ATOM 482 CB ASN A 29 16.128 4.440 3.281 1.00 0.00 C ATOM 483 CG ASN A 29 16.700 5.565 4.146 1.00 0.00 C ATOM 484 OD1 ASN A 29 17.268 6.511 3.635 1.00 0.00 O ATOM 485 ND2 ASN A 29 16.577 5.502 5.443 1.00 0.00 N ATOM 0 H ASN A 29 13.863 4.069 4.304 1.00 0.00 H new ATOM 0 HA ASN A 29 14.955 5.915 2.184 1.00 0.00 H new ATOM 0 HB2 ASN A 29 15.925 3.563 3.895 1.00 0.00 H new ATOM 0 HB3 ASN A 29 16.856 4.140 2.528 1.00 0.00 H new ATOM 0 HD21 ASN A 29 16.957 6.246 6.028 1.00 0.00 H new ATOM 0 HD22 ASN A 29 16.101 4.709 5.872 1.00 0.00 H new ATOM 492 N GLY A 30 13.222 4.013 1.046 1.00 0.00 N ATOM 493 CA GLY A 30 12.785 3.124 -0.067 1.00 0.00 C ATOM 494 C GLY A 30 12.606 1.701 0.464 1.00 0.00 C ATOM 495 O GLY A 30 12.878 1.419 1.614 1.00 0.00 O ATOM 0 H GLY A 30 12.495 4.615 1.432 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.849 3.487 -0.491 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.524 3.135 -0.868 1.00 0.00 H new ATOM 499 N MET A 31 12.154 0.801 -0.366 1.00 0.00 N ATOM 500 CA MET A 31 11.961 -0.603 0.094 1.00 0.00 C ATOM 501 C MET A 31 13.142 -1.467 -0.355 1.00 0.00 C ATOM 502 O MET A 31 13.736 -1.233 -1.389 1.00 0.00 O ATOM 503 CB MET A 31 10.671 -1.072 -0.578 1.00 0.00 C ATOM 504 CG MET A 31 9.505 -0.197 -0.117 1.00 0.00 C ATOM 505 SD MET A 31 7.997 -0.697 -0.985 1.00 0.00 S ATOM 506 CE MET A 31 7.387 -1.847 0.271 1.00 0.00 C ATOM 0 H MET A 31 11.911 0.977 -1.341 1.00 0.00 H new ATOM 0 HA MET A 31 11.902 -0.677 1.180 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.773 -1.018 -1.662 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.477 -2.115 -0.328 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.367 -0.294 0.960 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.722 0.852 -0.317 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.334 -2.851 -0.150 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.065 -1.847 1.124 1.00 0.00 H new ATOM 0 HE3 MET A 31 6.394 -1.537 0.597 1.00 0.00 H new ATOM 516 N LEU A 32 13.487 -2.462 0.412 1.00 0.00 N ATOM 517 CA LEU A 32 14.630 -3.337 0.023 1.00 0.00 C ATOM 518 C LEU A 32 14.333 -4.031 -1.307 1.00 0.00 C ATOM 519 O LEU A 32 13.194 -4.297 -1.640 1.00 0.00 O ATOM 520 CB LEU A 32 14.747 -4.363 1.149 1.00 0.00 C ATOM 521 CG LEU A 32 14.717 -3.645 2.499 1.00 0.00 C ATOM 522 CD1 LEU A 32 13.383 -3.919 3.196 1.00 0.00 C ATOM 523 CD2 LEU A 32 15.862 -4.158 3.373 1.00 0.00 C ATOM 0 H LEU A 32 13.029 -2.708 1.290 1.00 0.00 H new ATOM 0 HA LEU A 32 15.554 -2.774 -0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.928 -5.080 1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.674 -4.928 1.046 1.00 0.00 H new ATOM 0 HG LEU A 32 14.830 -2.572 2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.363 -3.407 4.158 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.566 -3.554 2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.268 -4.991 3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.842 -3.647 4.336 1.00 0.00 H new ATOM 0 HD22 LEU A 32 15.748 -5.231 3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 32 16.813 -3.962 2.878 1.00 0.00 H new ATOM 535 N HIS A 33 15.347 -4.328 -2.071 1.00 0.00 N ATOM 536 CA HIS A 33 15.121 -5.004 -3.378 1.00 0.00 C ATOM 537 C HIS A 33 14.563 -6.413 -3.155 1.00 0.00 C ATOM 538 O HIS A 33 14.936 -7.098 -2.224 1.00 0.00 O ATOM 539 CB HIS A 33 16.498 -5.071 -4.032 1.00 0.00 C ATOM 540 CG HIS A 33 16.449 -6.004 -5.211 1.00 0.00 C ATOM 541 ND1 HIS A 33 15.905 -5.625 -6.428 1.00 0.00 N ATOM 542 CD2 HIS A 33 16.869 -7.301 -5.374 1.00 0.00 C ATOM 543 CE1 HIS A 33 16.009 -6.675 -7.263 1.00 0.00 C ATOM 544 NE2 HIS A 33 16.590 -7.723 -6.671 1.00 0.00 N ATOM 0 H HIS A 33 16.322 -4.132 -1.846 1.00 0.00 H new ATOM 0 HA HIS A 33 14.401 -4.472 -3.999 1.00 0.00 H new ATOM 0 HB2 HIS A 33 16.808 -4.077 -4.354 1.00 0.00 H new ATOM 0 HB3 HIS A 33 17.238 -5.418 -3.311 1.00 0.00 H new ATOM 0 HD2 HIS A 33 17.343 -7.902 -4.612 1.00 0.00 H new ATOM 0 HE1 HIS A 33 15.665 -6.671 -8.287 1.00 0.00 H new ATOM 0 HE2 HIS A 33 16.787 -8.636 -7.081 1.00 0.00 H new ATOM 552 N GLY A 34 13.672 -6.850 -4.004 1.00 0.00 N ATOM 553 CA GLY A 34 13.094 -8.213 -3.840 1.00 0.00 C ATOM 554 C GLY A 34 12.086 -8.213 -2.688 1.00 0.00 C ATOM 555 O GLY A 34 11.584 -9.247 -2.291 1.00 0.00 O ATOM 0 H GLY A 34 13.320 -6.322 -4.803 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.605 -8.524 -4.763 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.888 -8.933 -3.641 1.00 0.00 H new ATOM 559 N ASP A 35 11.783 -7.064 -2.148 1.00 0.00 N ATOM 560 CA ASP A 35 10.805 -7.004 -1.023 1.00 0.00 C ATOM 561 C ASP A 35 9.383 -7.224 -1.549 1.00 0.00 C ATOM 562 O ASP A 35 9.100 -7.002 -2.709 1.00 0.00 O ATOM 563 CB ASP A 35 10.952 -5.596 -0.443 1.00 0.00 C ATOM 564 CG ASP A 35 9.906 -5.382 0.652 1.00 0.00 C ATOM 565 OD1 ASP A 35 10.099 -5.900 1.739 1.00 0.00 O ATOM 566 OD2 ASP A 35 8.928 -4.702 0.385 1.00 0.00 O ATOM 0 H ASP A 35 12.169 -6.165 -2.436 1.00 0.00 H new ATOM 0 HA ASP A 35 10.989 -7.773 -0.273 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.954 -5.463 -0.035 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.827 -4.852 -1.230 1.00 0.00 H new ATOM 571 N LYS A 36 8.484 -7.656 -0.706 1.00 0.00 N ATOM 572 CA LYS A 36 7.083 -7.886 -1.165 1.00 0.00 C ATOM 573 C LYS A 36 6.096 -7.221 -0.204 1.00 0.00 C ATOM 574 O LYS A 36 6.145 -7.422 0.993 1.00 0.00 O ATOM 575 CB LYS A 36 6.897 -9.402 -1.154 1.00 0.00 C ATOM 576 CG LYS A 36 7.075 -9.948 -2.572 1.00 0.00 C ATOM 577 CD LYS A 36 6.247 -11.222 -2.737 1.00 0.00 C ATOM 578 CE LYS A 36 7.174 -12.439 -2.729 1.00 0.00 C ATOM 579 NZ LYS A 36 6.855 -13.156 -1.464 1.00 0.00 N ATOM 0 H LYS A 36 8.658 -7.859 0.278 1.00 0.00 H new ATOM 0 HA LYS A 36 6.903 -7.463 -2.153 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.621 -9.863 -0.482 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.906 -9.655 -0.777 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.762 -9.202 -3.302 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.127 -10.159 -2.762 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.518 -11.302 -1.930 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.686 -11.185 -3.671 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.000 -13.074 -3.598 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.221 -12.138 -2.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.689 -13.151 -0.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.064 -12.680 -0.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.589 -14.138 -1.679 1.00 0.00 H new ATOM 593 N VAL A 37 5.202 -6.429 -0.722 1.00 0.00 N ATOM 594 CA VAL A 37 4.210 -5.746 0.155 1.00 0.00 C ATOM 595 C VAL A 37 2.834 -5.723 -0.518 1.00 0.00 C ATOM 596 O VAL A 37 2.716 -5.474 -1.701 1.00 0.00 O ATOM 597 CB VAL A 37 4.748 -4.327 0.326 1.00 0.00 C ATOM 598 CG1 VAL A 37 5.979 -4.355 1.234 1.00 0.00 C ATOM 599 CG2 VAL A 37 5.138 -3.761 -1.041 1.00 0.00 C ATOM 0 H VAL A 37 5.114 -6.224 -1.717 1.00 0.00 H new ATOM 0 HA VAL A 37 4.085 -6.253 1.112 1.00 0.00 H new ATOM 0 HB VAL A 37 3.978 -3.699 0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.364 -3.343 1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.703 -4.759 2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.748 -4.983 0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.522 -2.748 -0.919 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.908 -4.390 -1.489 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.262 -3.742 -1.690 1.00 0.00 H new ATOM 609 N SER A 38 1.794 -5.973 0.228 1.00 0.00 N ATOM 610 CA SER A 38 0.428 -5.957 -0.369 1.00 0.00 C ATOM 611 C SER A 38 -0.287 -4.654 0.004 1.00 0.00 C ATOM 612 O SER A 38 -0.182 -4.179 1.116 1.00 0.00 O ATOM 613 CB SER A 38 -0.288 -7.158 0.249 1.00 0.00 C ATOM 614 OG SER A 38 0.675 -8.118 0.662 1.00 0.00 O ATOM 0 H SER A 38 1.830 -6.188 1.225 1.00 0.00 H new ATOM 0 HA SER A 38 0.447 -6.013 -1.457 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.889 -6.839 1.101 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.972 -7.600 -0.475 1.00 0.00 H new ATOM 0 HG SER A 38 0.644 -8.892 0.061 1.00 0.00 H new ATOM 620 N PHE A 39 -1.010 -4.071 -0.913 1.00 0.00 N ATOM 621 CA PHE A 39 -1.722 -2.797 -0.598 1.00 0.00 C ATOM 622 C PHE A 39 -3.195 -3.075 -0.287 1.00 0.00 C ATOM 623 O PHE A 39 -3.810 -3.938 -0.875 1.00 0.00 O ATOM 624 CB PHE A 39 -1.588 -1.946 -1.859 1.00 0.00 C ATOM 625 CG PHE A 39 -0.195 -1.371 -1.927 1.00 0.00 C ATOM 626 CD1 PHE A 39 0.084 -0.139 -1.323 1.00 0.00 C ATOM 627 CD2 PHE A 39 0.820 -2.072 -2.590 1.00 0.00 C ATOM 628 CE1 PHE A 39 1.378 0.393 -1.383 1.00 0.00 C ATOM 629 CE2 PHE A 39 2.114 -1.539 -2.649 1.00 0.00 C ATOM 630 CZ PHE A 39 2.392 -0.307 -2.046 1.00 0.00 C ATOM 0 H PHE A 39 -1.139 -4.419 -1.863 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.305 -2.296 0.276 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.787 -2.552 -2.743 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.325 -1.143 -1.850 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.699 0.401 -0.811 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.605 -3.023 -3.055 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.593 1.343 -0.918 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.897 -2.079 -3.160 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.390 0.104 -2.092 1.00 0.00 H new ATOM 640 N PHE A 40 -3.766 -2.356 0.638 1.00 0.00 N ATOM 641 CA PHE A 40 -5.197 -2.596 0.982 1.00 0.00 C ATOM 642 C PHE A 40 -6.116 -1.934 -0.047 1.00 0.00 C ATOM 643 O PHE A 40 -5.974 -0.769 -0.364 1.00 0.00 O ATOM 644 CB PHE A 40 -5.389 -1.960 2.359 1.00 0.00 C ATOM 645 CG PHE A 40 -5.028 -2.961 3.428 1.00 0.00 C ATOM 646 CD1 PHE A 40 -5.674 -4.202 3.471 1.00 0.00 C ATOM 647 CD2 PHE A 40 -4.045 -2.651 4.375 1.00 0.00 C ATOM 648 CE1 PHE A 40 -5.339 -5.132 4.462 1.00 0.00 C ATOM 649 CE2 PHE A 40 -3.710 -3.581 5.366 1.00 0.00 C ATOM 650 CZ PHE A 40 -4.356 -4.821 5.410 1.00 0.00 C ATOM 0 H PHE A 40 -3.307 -1.616 1.169 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.443 -3.658 0.985 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.765 -1.071 2.452 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.423 -1.637 2.482 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.431 -4.442 2.739 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.545 -1.694 4.341 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.838 -6.089 4.496 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.952 -3.341 6.097 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.097 -5.538 6.175 1.00 0.00 H new ATOM 660 N CYS A 41 -7.061 -2.670 -0.565 1.00 0.00 N ATOM 661 CA CYS A 41 -7.999 -2.091 -1.568 1.00 0.00 C ATOM 662 C CYS A 41 -9.422 -2.588 -1.294 1.00 0.00 C ATOM 663 O CYS A 41 -9.620 -3.649 -0.737 1.00 0.00 O ATOM 664 CB CYS A 41 -7.502 -2.601 -2.920 1.00 0.00 C ATOM 665 SG CYS A 41 -6.471 -1.335 -3.702 1.00 0.00 S ATOM 0 H CYS A 41 -7.224 -3.650 -0.336 1.00 0.00 H new ATOM 0 HA CYS A 41 -8.026 -1.002 -1.534 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.930 -3.519 -2.786 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.348 -2.844 -3.563 1.00 0.00 H new ATOM 670 N LYS A 42 -10.415 -1.829 -1.674 1.00 0.00 N ATOM 671 CA LYS A 42 -11.820 -2.266 -1.425 1.00 0.00 C ATOM 672 C LYS A 42 -12.391 -2.982 -2.649 1.00 0.00 C ATOM 673 O LYS A 42 -11.971 -2.762 -3.768 1.00 0.00 O ATOM 674 CB LYS A 42 -12.601 -0.983 -1.146 1.00 0.00 C ATOM 675 CG LYS A 42 -12.650 -0.122 -2.411 1.00 0.00 C ATOM 676 CD LYS A 42 -12.901 1.338 -2.024 1.00 0.00 C ATOM 677 CE LYS A 42 -11.596 2.130 -2.133 1.00 0.00 C ATOM 678 NZ LYS A 42 -11.781 3.017 -3.315 1.00 0.00 N ATOM 0 H LYS A 42 -10.315 -0.929 -2.144 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.880 -2.969 -0.594 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.613 -1.225 -0.820 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.129 -0.428 -0.335 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.712 -0.208 -2.959 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.440 -0.475 -3.074 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.658 1.773 -2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.288 1.394 -1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.410 2.710 -1.229 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.742 1.467 -2.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.926 3.593 -3.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.950 2.437 -4.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.597 3.642 -3.156 1.00 0.00 H new ATOM 692 N ASN A 43 -13.351 -3.836 -2.438 1.00 0.00 N ATOM 693 CA ASN A 43 -13.968 -4.572 -3.579 1.00 0.00 C ATOM 694 C ASN A 43 -15.458 -4.232 -3.678 1.00 0.00 C ATOM 695 O ASN A 43 -16.222 -4.479 -2.766 1.00 0.00 O ATOM 696 CB ASN A 43 -13.776 -6.052 -3.245 1.00 0.00 C ATOM 697 CG ASN A 43 -14.229 -6.905 -4.432 1.00 0.00 C ATOM 698 OD1 ASN A 43 -15.359 -6.808 -4.869 1.00 0.00 O ATOM 699 ND2 ASN A 43 -13.389 -7.743 -4.976 1.00 0.00 N ATOM 0 H ASN A 43 -13.738 -4.058 -1.521 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.516 -4.309 -4.536 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.729 -6.252 -3.018 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -14.350 -6.313 -2.356 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.681 -8.316 -5.768 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.441 -7.825 -4.610 1.00 0.00 H new ATOM 706 N LYS A 44 -15.875 -3.661 -4.775 1.00 0.00 N ATOM 707 CA LYS A 44 -17.315 -3.300 -4.926 1.00 0.00 C ATOM 708 C LYS A 44 -18.156 -4.553 -5.184 1.00 0.00 C ATOM 709 O LYS A 44 -19.307 -4.630 -4.801 1.00 0.00 O ATOM 710 CB LYS A 44 -17.363 -2.368 -6.136 1.00 0.00 C ATOM 711 CG LYS A 44 -18.150 -1.106 -5.778 1.00 0.00 C ATOM 712 CD LYS A 44 -17.272 0.127 -6.007 1.00 0.00 C ATOM 713 CE LYS A 44 -17.676 1.230 -5.026 1.00 0.00 C ATOM 714 NZ LYS A 44 -16.972 0.893 -3.758 1.00 0.00 N ATOM 0 H LYS A 44 -15.283 -3.429 -5.572 1.00 0.00 H new ATOM 0 HA LYS A 44 -17.716 -2.829 -4.028 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.352 -2.103 -6.445 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -17.832 -2.874 -6.980 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -19.051 -1.042 -6.388 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -18.471 -1.148 -4.737 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.222 -0.130 -5.869 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -17.382 0.479 -7.033 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -17.380 2.213 -5.393 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -18.756 1.255 -4.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.603 1.076 -2.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.703 -0.112 -3.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.118 1.479 -3.669 1.00 0.00 H new ATOM 728 N GLU A 45 -17.593 -5.534 -5.835 1.00 0.00 N ATOM 729 CA GLU A 45 -18.363 -6.779 -6.123 1.00 0.00 C ATOM 730 C GLU A 45 -18.545 -7.607 -4.846 1.00 0.00 C ATOM 731 O GLU A 45 -19.598 -8.159 -4.600 1.00 0.00 O ATOM 732 CB GLU A 45 -17.515 -7.540 -7.140 1.00 0.00 C ATOM 733 CG GLU A 45 -17.323 -6.680 -8.391 1.00 0.00 C ATOM 734 CD GLU A 45 -18.213 -7.208 -9.517 1.00 0.00 C ATOM 735 OE1 GLU A 45 -19.390 -7.417 -9.266 1.00 0.00 O ATOM 736 OE2 GLU A 45 -17.706 -7.395 -10.609 1.00 0.00 O ATOM 0 H GLU A 45 -16.633 -5.528 -6.180 1.00 0.00 H new ATOM 0 HA GLU A 45 -19.363 -6.565 -6.501 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.547 -7.791 -6.707 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.000 -8.480 -7.403 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.573 -5.642 -8.173 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.278 -6.698 -8.701 1.00 0.00 H new ATOM 743 N LYS A 46 -17.527 -7.702 -4.034 1.00 0.00 N ATOM 744 CA LYS A 46 -17.649 -8.499 -2.779 1.00 0.00 C ATOM 745 C LYS A 46 -18.040 -7.596 -1.606 1.00 0.00 C ATOM 746 O LYS A 46 -18.467 -8.061 -0.569 1.00 0.00 O ATOM 747 CB LYS A 46 -16.262 -9.100 -2.556 1.00 0.00 C ATOM 748 CG LYS A 46 -15.813 -9.821 -3.829 1.00 0.00 C ATOM 749 CD LYS A 46 -15.195 -11.172 -3.462 1.00 0.00 C ATOM 750 CE LYS A 46 -16.282 -12.103 -2.921 1.00 0.00 C ATOM 751 NZ LYS A 46 -16.224 -13.308 -3.795 1.00 0.00 N ATOM 0 H LYS A 46 -16.618 -7.264 -4.184 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.420 -9.266 -2.853 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.550 -8.316 -2.298 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.285 -9.797 -1.718 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -16.663 -9.967 -4.495 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -15.087 -9.212 -4.368 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.723 -11.617 -4.338 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.414 -11.035 -2.714 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -16.098 -12.362 -1.878 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -17.264 -11.631 -2.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -16.941 -13.995 -3.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -16.410 -13.032 -4.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -15.280 -13.740 -3.729 1.00 0.00 H new ATOM 765 N LYS A 47 -17.904 -6.306 -1.766 1.00 0.00 N ATOM 766 CA LYS A 47 -18.273 -5.366 -0.665 1.00 0.00 C ATOM 767 C LYS A 47 -17.292 -5.493 0.504 1.00 0.00 C ATOM 768 O LYS A 47 -17.642 -5.268 1.645 1.00 0.00 O ATOM 769 CB LYS A 47 -19.680 -5.781 -0.227 1.00 0.00 C ATOM 770 CG LYS A 47 -20.522 -6.142 -1.455 1.00 0.00 C ATOM 771 CD LYS A 47 -21.846 -5.378 -1.407 1.00 0.00 C ATOM 772 CE LYS A 47 -22.467 -5.517 -0.016 1.00 0.00 C ATOM 773 NZ LYS A 47 -22.536 -4.127 0.514 1.00 0.00 N ATOM 0 H LYS A 47 -17.552 -5.861 -2.614 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.240 -4.328 -0.995 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -19.623 -6.634 0.450 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -20.154 -4.968 0.324 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -19.979 -5.894 -2.367 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -20.710 -7.215 -1.478 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -21.679 -4.326 -1.639 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -22.529 -5.766 -2.162 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -23.457 -5.969 -0.069 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -21.859 -6.155 0.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -22.588 -4.154 1.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -21.687 -3.602 0.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -23.382 -3.653 0.137 1.00 0.00 H new ATOM 787 N CYS A 48 -16.067 -5.844 0.232 1.00 0.00 N ATOM 788 CA CYS A 48 -15.067 -5.975 1.333 1.00 0.00 C ATOM 789 C CYS A 48 -13.707 -5.470 0.856 1.00 0.00 C ATOM 790 O CYS A 48 -13.548 -5.057 -0.276 1.00 0.00 O ATOM 791 CB CYS A 48 -14.960 -7.470 1.656 1.00 0.00 C ATOM 792 SG CYS A 48 -16.538 -8.320 1.383 1.00 0.00 S ATOM 0 H CYS A 48 -15.713 -6.046 -0.703 1.00 0.00 H new ATOM 0 HA CYS A 48 -15.369 -5.396 2.206 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -14.188 -7.924 1.034 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.650 -7.599 2.693 1.00 0.00 H new ATOM 797 N SER A 49 -12.721 -5.513 1.705 1.00 0.00 N ATOM 798 CA SER A 49 -11.370 -5.053 1.292 1.00 0.00 C ATOM 799 C SER A 49 -10.460 -6.257 1.055 1.00 0.00 C ATOM 800 O SER A 49 -10.784 -7.377 1.403 1.00 0.00 O ATOM 801 CB SER A 49 -10.859 -4.215 2.461 1.00 0.00 C ATOM 802 OG SER A 49 -9.822 -4.920 3.133 1.00 0.00 O ATOM 0 H SER A 49 -12.793 -5.847 2.666 1.00 0.00 H new ATOM 0 HA SER A 49 -11.392 -4.480 0.365 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.487 -3.256 2.100 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.674 -4.000 3.152 1.00 0.00 H new ATOM 0 HG SER A 49 -9.797 -4.647 4.074 1.00 0.00 H new ATOM 808 N TYR A 50 -9.319 -6.026 0.474 1.00 0.00 N ATOM 809 CA TYR A 50 -8.365 -7.141 0.215 1.00 0.00 C ATOM 810 C TYR A 50 -6.951 -6.578 0.056 1.00 0.00 C ATOM 811 O TYR A 50 -6.741 -5.384 0.124 1.00 0.00 O ATOM 812 CB TYR A 50 -8.839 -7.794 -1.085 1.00 0.00 C ATOM 813 CG TYR A 50 -9.046 -6.740 -2.145 1.00 0.00 C ATOM 814 CD1 TYR A 50 -7.950 -6.236 -2.855 1.00 0.00 C ATOM 815 CD2 TYR A 50 -10.335 -6.270 -2.423 1.00 0.00 C ATOM 816 CE1 TYR A 50 -8.143 -5.263 -3.843 1.00 0.00 C ATOM 817 CE2 TYR A 50 -10.528 -5.297 -3.411 1.00 0.00 C ATOM 818 CZ TYR A 50 -9.432 -4.794 -4.120 1.00 0.00 C ATOM 819 OH TYR A 50 -9.625 -3.835 -5.094 1.00 0.00 O ATOM 0 H TYR A 50 -9.002 -5.107 0.165 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.338 -7.863 1.031 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -8.104 -8.524 -1.424 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -9.769 -8.335 -0.912 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.955 -6.598 -2.641 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -11.181 -6.658 -1.875 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -7.297 -4.875 -4.391 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -11.523 -4.935 -3.626 1.00 0.00 H new ATOM 0 HH TYR A 50 -10.405 -3.288 -4.865 1.00 0.00 H new ATOM 829 N THR A 51 -5.978 -7.422 -0.147 1.00 0.00 N ATOM 830 CA THR A 51 -4.585 -6.914 -0.299 1.00 0.00 C ATOM 831 C THR A 51 -4.073 -7.151 -1.720 1.00 0.00 C ATOM 832 O THR A 51 -4.403 -8.129 -2.362 1.00 0.00 O ATOM 833 CB THR A 51 -3.756 -7.712 0.707 1.00 0.00 C ATOM 834 OG1 THR A 51 -4.077 -9.091 0.595 1.00 0.00 O ATOM 835 CG2 THR A 51 -4.062 -7.224 2.124 1.00 0.00 C ATOM 0 H THR A 51 -6.085 -8.434 -0.214 1.00 0.00 H new ATOM 0 HA THR A 51 -4.525 -5.840 -0.120 1.00 0.00 H new ATOM 0 HB THR A 51 -2.695 -7.570 0.500 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.545 -9.604 1.238 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.470 -7.794 2.841 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.812 -6.166 2.206 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.122 -7.364 2.336 1.00 0.00 H new ATOM 843 N GLU A 52 -3.257 -6.258 -2.206 1.00 0.00 N ATOM 844 CA GLU A 52 -2.696 -6.412 -3.578 1.00 0.00 C ATOM 845 C GLU A 52 -1.191 -6.657 -3.481 1.00 0.00 C ATOM 846 O GLU A 52 -0.396 -5.741 -3.563 1.00 0.00 O ATOM 847 CB GLU A 52 -2.980 -5.081 -4.275 1.00 0.00 C ATOM 848 CG GLU A 52 -4.315 -5.166 -5.018 1.00 0.00 C ATOM 849 CD GLU A 52 -4.254 -6.294 -6.048 1.00 0.00 C ATOM 850 OE1 GLU A 52 -3.157 -6.721 -6.367 1.00 0.00 O ATOM 851 OE2 GLU A 52 -5.307 -6.713 -6.502 1.00 0.00 O ATOM 0 H GLU A 52 -2.952 -5.422 -1.708 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.132 -7.250 -4.122 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.011 -4.274 -3.542 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.177 -4.846 -4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.125 -5.347 -4.312 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.529 -4.219 -5.513 1.00 0.00 H new ATOM 858 N ASP A 53 -0.794 -7.884 -3.287 1.00 0.00 N ATOM 859 CA ASP A 53 0.660 -8.188 -3.162 1.00 0.00 C ATOM 860 C ASP A 53 1.481 -7.380 -4.166 1.00 0.00 C ATOM 861 O ASP A 53 1.072 -7.152 -5.288 1.00 0.00 O ATOM 862 CB ASP A 53 0.789 -9.679 -3.454 1.00 0.00 C ATOM 863 CG ASP A 53 -0.119 -10.466 -2.509 1.00 0.00 C ATOM 864 OD1 ASP A 53 0.309 -10.743 -1.400 1.00 0.00 O ATOM 865 OD2 ASP A 53 -1.229 -10.779 -2.908 1.00 0.00 O ATOM 0 H ASP A 53 -1.414 -8.690 -3.209 1.00 0.00 H new ATOM 0 HA ASP A 53 1.035 -7.928 -2.172 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.517 -9.882 -4.490 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.824 -9.996 -3.329 1.00 0.00 H new ATOM 870 N ALA A 54 2.644 -6.956 -3.764 1.00 0.00 N ATOM 871 CA ALA A 54 3.523 -6.169 -4.675 1.00 0.00 C ATOM 872 C ALA A 54 4.989 -6.538 -4.424 1.00 0.00 C ATOM 873 O ALA A 54 5.310 -7.215 -3.466 1.00 0.00 O ATOM 874 CB ALA A 54 3.265 -4.706 -4.316 1.00 0.00 C ATOM 0 H ALA A 54 3.029 -7.122 -2.834 1.00 0.00 H new ATOM 0 HA ALA A 54 3.317 -6.365 -5.727 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.879 -4.063 -4.947 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.212 -4.473 -4.475 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.520 -4.538 -3.270 1.00 0.00 H new ATOM 880 N GLN A 55 5.882 -6.106 -5.272 1.00 0.00 N ATOM 881 CA GLN A 55 7.321 -6.444 -5.068 1.00 0.00 C ATOM 882 C GLN A 55 8.212 -5.244 -5.404 1.00 0.00 C ATOM 883 O GLN A 55 7.882 -4.425 -6.239 1.00 0.00 O ATOM 884 CB GLN A 55 7.598 -7.601 -6.029 1.00 0.00 C ATOM 885 CG GLN A 55 8.919 -8.274 -5.653 1.00 0.00 C ATOM 886 CD GLN A 55 9.176 -9.454 -6.591 1.00 0.00 C ATOM 887 OE1 GLN A 55 8.845 -9.401 -7.758 1.00 0.00 O ATOM 888 NE2 GLN A 55 9.755 -10.527 -6.126 1.00 0.00 N ATOM 0 H GLN A 55 5.680 -5.536 -6.094 1.00 0.00 H new ATOM 0 HA GLN A 55 7.533 -6.710 -4.033 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.784 -8.325 -5.987 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.644 -7.233 -7.054 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.737 -7.557 -5.721 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.883 -8.619 -4.620 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.033 -10.572 -5.146 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.929 -11.320 -6.743 1.00 0.00 H new ATOM 897 N CYS A 56 9.344 -5.143 -4.761 1.00 0.00 N ATOM 898 CA CYS A 56 10.268 -4.007 -5.038 1.00 0.00 C ATOM 899 C CYS A 56 11.410 -4.480 -5.943 1.00 0.00 C ATOM 900 O CYS A 56 11.917 -5.574 -5.798 1.00 0.00 O ATOM 901 CB CYS A 56 10.799 -3.587 -3.665 1.00 0.00 C ATOM 902 SG CYS A 56 12.265 -2.542 -3.864 1.00 0.00 S ATOM 0 H CYS A 56 9.669 -5.801 -4.053 1.00 0.00 H new ATOM 0 HA CYS A 56 9.777 -3.179 -5.549 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.028 -3.046 -3.117 1.00 0.00 H new ATOM 0 HB3 CYS A 56 11.048 -4.470 -3.076 1.00 0.00 H new ATOM 907 N ILE A 57 11.813 -3.667 -6.879 1.00 0.00 N ATOM 908 CA ILE A 57 12.915 -4.074 -7.796 1.00 0.00 C ATOM 909 C ILE A 57 14.032 -3.024 -7.793 1.00 0.00 C ATOM 910 O ILE A 57 13.921 -1.979 -7.183 1.00 0.00 O ATOM 911 CB ILE A 57 12.267 -4.172 -9.179 1.00 0.00 C ATOM 912 CG1 ILE A 57 11.068 -5.121 -9.111 1.00 0.00 C ATOM 913 CG2 ILE A 57 13.285 -4.709 -10.187 1.00 0.00 C ATOM 914 CD1 ILE A 57 11.561 -6.555 -8.913 1.00 0.00 C ATOM 0 H ILE A 57 11.427 -2.738 -7.049 1.00 0.00 H new ATOM 0 HA ILE A 57 13.373 -5.016 -7.494 1.00 0.00 H new ATOM 0 HB ILE A 57 11.934 -3.183 -9.494 1.00 0.00 H new ATOM 0 HG12 ILE A 57 10.411 -4.835 -8.290 1.00 0.00 H new ATOM 0 HG13 ILE A 57 10.482 -5.050 -10.028 1.00 0.00 H new ATOM 0 HG21 ILE A 57 12.821 -4.778 -11.171 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.140 -4.035 -10.235 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.620 -5.698 -9.874 1.00 0.00 H new ATOM 0 HD11 ILE A 57 10.707 -7.230 -8.865 1.00 0.00 H new ATOM 0 HD12 ILE A 57 12.201 -6.839 -9.749 1.00 0.00 H new ATOM 0 HD13 ILE A 57 12.128 -6.620 -7.984 1.00 0.00 H new ATOM 926 N ASP A 58 15.112 -3.310 -8.464 1.00 0.00 N ATOM 927 CA ASP A 58 16.260 -2.358 -8.508 1.00 0.00 C ATOM 928 C ASP A 58 15.790 -0.903 -8.665 1.00 0.00 C ATOM 929 O ASP A 58 15.586 -0.420 -9.760 1.00 0.00 O ATOM 930 CB ASP A 58 17.070 -2.790 -9.729 1.00 0.00 C ATOM 931 CG ASP A 58 18.548 -2.471 -9.499 1.00 0.00 C ATOM 932 OD1 ASP A 58 18.914 -1.315 -9.637 1.00 0.00 O ATOM 933 OD2 ASP A 58 19.289 -3.389 -9.187 1.00 0.00 O ATOM 0 H ASP A 58 15.251 -4.172 -8.990 1.00 0.00 H new ATOM 0 HA ASP A 58 16.838 -2.385 -7.584 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.941 -3.858 -9.905 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.710 -2.274 -10.619 1.00 0.00 H new ATOM 938 N GLY A 59 15.653 -0.197 -7.574 1.00 0.00 N ATOM 939 CA GLY A 59 15.238 1.240 -7.640 1.00 0.00 C ATOM 940 C GLY A 59 13.905 1.411 -8.375 1.00 0.00 C ATOM 941 O GLY A 59 13.517 2.515 -8.706 1.00 0.00 O ATOM 0 H GLY A 59 15.811 -0.555 -6.632 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.151 1.640 -6.630 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.010 1.819 -8.147 1.00 0.00 H new ATOM 945 N THR A 60 13.192 0.351 -8.635 1.00 0.00 N ATOM 946 CA THR A 60 11.887 0.505 -9.347 1.00 0.00 C ATOM 947 C THR A 60 10.841 -0.441 -8.757 1.00 0.00 C ATOM 948 O THR A 60 11.122 -1.579 -8.460 1.00 0.00 O ATOM 949 CB THR A 60 12.178 0.138 -10.800 1.00 0.00 C ATOM 950 OG1 THR A 60 13.308 0.868 -11.257 1.00 0.00 O ATOM 951 CG2 THR A 60 10.963 0.478 -11.667 1.00 0.00 C ATOM 0 H THR A 60 13.449 -0.605 -8.390 1.00 0.00 H new ATOM 0 HA THR A 60 11.489 1.515 -9.253 1.00 0.00 H new ATOM 0 HB THR A 60 12.385 -0.930 -10.870 1.00 0.00 H new ATOM 0 HG1 THR A 60 14.125 0.464 -10.898 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.171 0.216 -12.704 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.098 -0.085 -11.317 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.754 1.545 -11.598 1.00 0.00 H new ATOM 959 N ILE A 61 9.633 0.020 -8.596 1.00 0.00 N ATOM 960 CA ILE A 61 8.570 -0.864 -8.035 1.00 0.00 C ATOM 961 C ILE A 61 7.271 -0.686 -8.822 1.00 0.00 C ATOM 962 O ILE A 61 6.938 0.399 -9.255 1.00 0.00 O ATOM 963 CB ILE A 61 8.392 -0.414 -6.582 1.00 0.00 C ATOM 964 CG1 ILE A 61 7.070 -0.961 -6.037 1.00 0.00 C ATOM 965 CG2 ILE A 61 8.378 1.113 -6.511 1.00 0.00 C ATOM 966 CD1 ILE A 61 7.328 -1.714 -4.731 1.00 0.00 C ATOM 0 H ILE A 61 9.334 0.968 -8.827 1.00 0.00 H new ATOM 0 HA ILE A 61 8.836 -1.919 -8.096 1.00 0.00 H new ATOM 0 HB ILE A 61 9.220 -0.795 -5.984 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.369 -0.144 -5.865 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.611 -1.626 -6.768 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.251 1.428 -5.475 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.320 1.504 -6.896 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.553 1.498 -7.111 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.387 -2.103 -4.343 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.013 -2.541 -4.917 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.768 -1.035 -4.001 1.00 0.00 H new ATOM 978 N GLU A 62 6.537 -1.747 -9.016 1.00 0.00 N ATOM 979 CA GLU A 62 5.264 -1.642 -9.784 1.00 0.00 C ATOM 980 C GLU A 62 4.068 -1.595 -8.830 1.00 0.00 C ATOM 981 O GLU A 62 3.290 -2.524 -8.748 1.00 0.00 O ATOM 982 CB GLU A 62 5.215 -2.905 -10.643 1.00 0.00 C ATOM 983 CG GLU A 62 4.839 -2.531 -12.077 1.00 0.00 C ATOM 984 CD GLU A 62 3.785 -3.510 -12.600 1.00 0.00 C ATOM 985 OE1 GLU A 62 2.715 -3.563 -12.017 1.00 0.00 O ATOM 986 OE2 GLU A 62 4.067 -4.189 -13.574 1.00 0.00 O ATOM 0 H GLU A 62 6.763 -2.682 -8.676 1.00 0.00 H new ATOM 0 HA GLU A 62 5.221 -0.735 -10.387 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.183 -3.406 -10.628 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.487 -3.607 -10.236 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.452 -1.512 -12.109 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.723 -2.557 -12.715 1.00 0.00 H new ATOM 993 N VAL A 63 3.913 -0.518 -8.110 1.00 0.00 N ATOM 994 CA VAL A 63 2.764 -0.414 -7.167 1.00 0.00 C ATOM 995 C VAL A 63 1.484 -0.911 -7.852 1.00 0.00 C ATOM 996 O VAL A 63 1.310 -0.721 -9.039 1.00 0.00 O ATOM 997 CB VAL A 63 2.658 1.075 -6.840 1.00 0.00 C ATOM 998 CG1 VAL A 63 1.427 1.323 -5.965 1.00 0.00 C ATOM 999 CG2 VAL A 63 3.915 1.522 -6.090 1.00 0.00 C ATOM 0 H VAL A 63 4.531 0.293 -8.134 1.00 0.00 H new ATOM 0 HA VAL A 63 2.901 -1.017 -6.269 1.00 0.00 H new ATOM 0 HB VAL A 63 2.564 1.643 -7.766 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.354 2.386 -5.733 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.531 1.005 -6.499 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.518 0.755 -5.039 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.841 2.584 -5.856 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.009 0.952 -5.165 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.792 1.348 -6.714 1.00 0.00 H new ATOM 1009 N PRO A 64 0.622 -1.535 -7.086 1.00 0.00 N ATOM 1010 CA PRO A 64 -0.647 -2.059 -7.642 1.00 0.00 C ATOM 1011 C PRO A 64 -1.486 -0.918 -8.229 1.00 0.00 C ATOM 1012 O PRO A 64 -1.772 0.059 -7.567 1.00 0.00 O ATOM 1013 CB PRO A 64 -1.323 -2.680 -6.415 1.00 0.00 C ATOM 1014 CG PRO A 64 -0.402 -2.490 -5.194 1.00 0.00 C ATOM 1015 CD PRO A 64 0.865 -1.747 -5.640 1.00 0.00 C ATOM 0 HA PRO A 64 -0.512 -2.770 -8.457 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.289 -2.208 -6.237 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.512 -3.740 -6.584 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.917 -1.925 -4.417 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.141 -3.457 -4.764 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.991 -0.804 -5.107 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.765 -2.336 -5.462 1.00 0.00 H new ATOM 1023 N LYS A 65 -1.876 -1.036 -9.470 1.00 0.00 N ATOM 1024 CA LYS A 65 -2.691 0.042 -10.103 1.00 0.00 C ATOM 1025 C LYS A 65 -3.885 0.401 -9.215 1.00 0.00 C ATOM 1026 O LYS A 65 -4.341 1.527 -9.201 1.00 0.00 O ATOM 1027 CB LYS A 65 -3.166 -0.549 -11.432 1.00 0.00 C ATOM 1028 CG LYS A 65 -3.498 0.584 -12.406 1.00 0.00 C ATOM 1029 CD LYS A 65 -3.357 0.079 -13.844 1.00 0.00 C ATOM 1030 CE LYS A 65 -1.875 0.013 -14.219 1.00 0.00 C ATOM 1031 NZ LYS A 65 -1.580 -1.439 -14.367 1.00 0.00 N ATOM 0 H LYS A 65 -1.666 -1.832 -10.073 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.120 0.959 -10.245 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.392 -1.190 -11.854 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.045 -1.173 -11.271 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.513 0.941 -12.233 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.830 1.429 -12.239 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.812 -0.907 -13.941 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.887 0.743 -14.527 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.678 0.552 -15.145 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.252 0.466 -13.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.624 -1.637 -14.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.275 -1.991 -13.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.634 -1.704 -15.371 1.00 0.00 H new ATOM 1045 N CYS A 66 -4.397 -0.543 -8.475 1.00 0.00 N ATOM 1046 CA CYS A 66 -5.562 -0.246 -7.592 1.00 0.00 C ATOM 1047 C CYS A 66 -5.334 1.074 -6.851 1.00 0.00 C ATOM 1048 O CYS A 66 -6.090 2.014 -6.990 1.00 0.00 O ATOM 1049 CB CYS A 66 -5.623 -1.411 -6.606 1.00 0.00 C ATOM 1050 SG CYS A 66 -7.129 -1.276 -5.611 1.00 0.00 S ATOM 0 H CYS A 66 -4.061 -1.505 -8.443 1.00 0.00 H new ATOM 0 HA CYS A 66 -6.491 -0.142 -8.153 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.613 -2.359 -7.144 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.745 -1.402 -5.960 1.00 0.00 H new ATOM 1055 N PHE A 67 -4.298 1.149 -6.062 1.00 0.00 N ATOM 1056 CA PHE A 67 -4.021 2.407 -5.311 1.00 0.00 C ATOM 1057 C PHE A 67 -4.207 3.620 -6.227 1.00 0.00 C ATOM 1058 O PHE A 67 -4.062 3.530 -7.430 1.00 0.00 O ATOM 1059 CB PHE A 67 -2.562 2.287 -4.867 1.00 0.00 C ATOM 1060 CG PHE A 67 -2.188 3.490 -4.036 1.00 0.00 C ATOM 1061 CD1 PHE A 67 -2.031 4.741 -4.645 1.00 0.00 C ATOM 1062 CD2 PHE A 67 -1.998 3.354 -2.655 1.00 0.00 C ATOM 1063 CE1 PHE A 67 -1.683 5.855 -3.873 1.00 0.00 C ATOM 1064 CE2 PHE A 67 -1.650 4.469 -1.884 1.00 0.00 C ATOM 1065 CZ PHE A 67 -1.493 5.720 -2.492 1.00 0.00 C ATOM 0 H PHE A 67 -3.631 0.394 -5.904 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.695 2.543 -4.465 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.421 1.374 -4.289 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.910 2.217 -5.738 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.178 4.846 -5.710 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.120 2.389 -2.185 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -1.561 6.820 -4.343 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -1.503 4.364 -0.819 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.226 6.580 -1.897 1.00 0.00 H new ATOM 1075 N LYS A 68 -4.531 4.754 -5.667 1.00 0.00 N ATOM 1076 CA LYS A 68 -4.730 5.970 -6.507 1.00 0.00 C ATOM 1077 C LYS A 68 -4.197 7.210 -5.781 1.00 0.00 C ATOM 1078 O LYS A 68 -4.795 7.695 -4.841 1.00 0.00 O ATOM 1079 CB LYS A 68 -6.243 6.073 -6.696 1.00 0.00 C ATOM 1080 CG LYS A 68 -6.681 5.160 -7.842 1.00 0.00 C ATOM 1081 CD LYS A 68 -7.926 5.744 -8.513 1.00 0.00 C ATOM 1082 CE LYS A 68 -8.760 4.613 -9.117 1.00 0.00 C ATOM 1083 NZ LYS A 68 -10.155 4.887 -8.672 1.00 0.00 N ATOM 0 H LYS A 68 -4.666 4.891 -4.665 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.200 5.906 -7.458 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.755 5.790 -5.776 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.523 7.104 -6.912 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.876 5.060 -8.570 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.894 4.160 -7.463 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.518 6.298 -7.785 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.635 6.451 -9.290 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.686 4.605 -10.204 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.418 3.639 -8.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.789 4.153 -9.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.195 4.882 -7.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.456 5.818 -9.026 1.00 0.00 H new ATOM 1097 N GLU A 69 -3.078 7.726 -6.211 1.00 0.00 N ATOM 1098 CA GLU A 69 -2.511 8.933 -5.545 1.00 0.00 C ATOM 1099 C GLU A 69 -3.263 10.189 -5.995 1.00 0.00 C ATOM 1100 O GLU A 69 -3.999 10.790 -5.238 1.00 0.00 O ATOM 1101 CB GLU A 69 -1.053 8.991 -6.001 1.00 0.00 C ATOM 1102 CG GLU A 69 -0.170 9.417 -4.828 1.00 0.00 C ATOM 1103 CD GLU A 69 0.649 10.646 -5.224 1.00 0.00 C ATOM 1104 OE1 GLU A 69 0.762 10.901 -6.411 1.00 0.00 O ATOM 1105 OE2 GLU A 69 1.150 11.312 -4.332 1.00 0.00 O ATOM 0 H GLU A 69 -2.533 7.365 -6.994 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.597 8.883 -4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.738 8.016 -6.372 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.946 9.696 -6.826 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.787 9.643 -3.958 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.494 8.601 -4.544 1.00 0.00 H new ATOM 1112 N HIS A 70 -3.080 10.589 -7.224 1.00 0.00 N ATOM 1113 CA HIS A 70 -3.781 11.804 -7.728 1.00 0.00 C ATOM 1114 C HIS A 70 -4.848 11.407 -8.751 1.00 0.00 C ATOM 1115 O HIS A 70 -4.842 10.310 -9.273 1.00 0.00 O ATOM 1116 CB HIS A 70 -2.685 12.642 -8.389 1.00 0.00 C ATOM 1117 CG HIS A 70 -3.284 13.897 -8.961 1.00 0.00 C ATOM 1118 ND1 HIS A 70 -3.142 14.240 -10.297 1.00 0.00 N ATOM 1119 CD2 HIS A 70 -4.026 14.902 -8.393 1.00 0.00 C ATOM 1120 CE1 HIS A 70 -3.784 15.408 -10.486 1.00 0.00 C ATOM 1121 NE2 HIS A 70 -4.341 15.855 -9.357 1.00 0.00 N ATOM 0 H HIS A 70 -2.474 10.126 -7.902 1.00 0.00 H new ATOM 0 HA HIS A 70 -4.290 12.352 -6.935 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.916 12.894 -7.659 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -2.199 12.067 -9.177 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.321 14.947 -7.355 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.842 15.921 -11.435 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.881 16.711 -9.229 1.00 0.00 H new ATOM 1129 N SER A 71 -5.764 12.289 -9.043 1.00 0.00 N ATOM 1130 CA SER A 71 -6.830 11.956 -10.031 1.00 0.00 C ATOM 1131 C SER A 71 -7.659 10.767 -9.536 1.00 0.00 C ATOM 1132 O SER A 71 -7.446 9.640 -9.938 1.00 0.00 O ATOM 1133 CB SER A 71 -6.079 11.590 -11.311 1.00 0.00 C ATOM 1134 OG SER A 71 -6.829 12.029 -12.437 1.00 0.00 O ATOM 0 H SER A 71 -5.821 13.225 -8.641 1.00 0.00 H new ATOM 0 HA SER A 71 -7.524 12.782 -10.186 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.093 12.054 -11.313 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.924 10.512 -11.360 1.00 0.00 H new ATOM 0 HG SER A 71 -6.350 11.798 -13.260 1.00 0.00 H new ATOM 1140 N SER A 72 -8.603 11.009 -8.668 1.00 0.00 N ATOM 1141 CA SER A 72 -9.444 9.891 -8.150 1.00 0.00 C ATOM 1142 C SER A 72 -10.629 10.444 -7.351 1.00 0.00 C ATOM 1143 O SER A 72 -10.810 11.640 -7.238 1.00 0.00 O ATOM 1144 CB SER A 72 -8.512 9.082 -7.248 1.00 0.00 C ATOM 1145 OG SER A 72 -9.155 8.834 -6.004 1.00 0.00 O ATOM 0 H SER A 72 -8.829 11.931 -8.295 1.00 0.00 H new ATOM 0 HA SER A 72 -9.863 9.282 -8.951 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.251 8.139 -7.729 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.582 9.626 -7.087 1.00 0.00 H new ATOM 0 HG SER A 72 -8.559 8.314 -5.426 1.00 0.00 H new ATOM 1151 N LEU A 73 -11.439 9.582 -6.798 1.00 0.00 N ATOM 1152 CA LEU A 73 -12.612 10.059 -6.010 1.00 0.00 C ATOM 1153 C LEU A 73 -12.162 11.056 -4.937 1.00 0.00 C ATOM 1154 O LEU A 73 -11.257 10.791 -4.171 1.00 0.00 O ATOM 1155 CB LEU A 73 -13.195 8.802 -5.366 1.00 0.00 C ATOM 1156 CG LEU A 73 -13.919 7.975 -6.431 1.00 0.00 C ATOM 1157 CD1 LEU A 73 -12.946 6.965 -7.044 1.00 0.00 C ATOM 1158 CD2 LEU A 73 -15.090 7.231 -5.787 1.00 0.00 C ATOM 0 H LEU A 73 -11.339 8.569 -6.858 1.00 0.00 H new ATOM 0 HA LEU A 73 -13.344 10.574 -6.632 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.400 8.212 -4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.887 9.075 -4.569 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.293 8.636 -7.213 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -13.462 6.376 -7.802 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.112 7.496 -7.502 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -12.570 6.303 -6.264 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -15.607 6.641 -6.544 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -14.715 6.570 -5.005 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -15.783 7.951 -5.352 1.00 0.00 H new ATOM 1170 N ALA A 74 -12.786 12.200 -4.878 1.00 0.00 N ATOM 1171 CA ALA A 74 -12.392 13.214 -3.858 1.00 0.00 C ATOM 1172 C ALA A 74 -13.140 12.969 -2.545 1.00 0.00 C ATOM 1173 O ALA A 74 -12.704 13.376 -1.486 1.00 0.00 O ATOM 1174 CB ALA A 74 -12.797 14.559 -4.460 1.00 0.00 C ATOM 0 H ALA A 74 -13.552 12.477 -5.492 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.327 13.172 -3.628 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.539 15.360 -3.767 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.269 14.710 -5.402 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -13.872 14.568 -4.641 1.00 0.00 H new ATOM 1180 N PHE A 75 -14.265 12.311 -2.605 1.00 0.00 N ATOM 1181 CA PHE A 75 -15.040 12.046 -1.359 1.00 0.00 C ATOM 1182 C PHE A 75 -14.356 10.953 -0.532 1.00 0.00 C ATOM 1183 O PHE A 75 -13.970 9.922 -1.046 1.00 0.00 O ATOM 1184 CB PHE A 75 -16.413 11.576 -1.840 1.00 0.00 C ATOM 1185 CG PHE A 75 -17.291 12.776 -2.108 1.00 0.00 C ATOM 1186 CD1 PHE A 75 -17.030 13.602 -3.208 1.00 0.00 C ATOM 1187 CD2 PHE A 75 -18.366 13.062 -1.257 1.00 0.00 C ATOM 1188 CE1 PHE A 75 -17.843 14.714 -3.457 1.00 0.00 C ATOM 1189 CE2 PHE A 75 -19.180 14.175 -1.507 1.00 0.00 C ATOM 1190 CZ PHE A 75 -18.918 15.001 -2.607 1.00 0.00 C ATOM 0 H PHE A 75 -14.681 11.946 -3.462 1.00 0.00 H new ATOM 0 HA PHE A 75 -15.111 12.927 -0.721 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -16.308 10.979 -2.746 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -16.874 10.935 -1.088 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -16.201 13.381 -3.864 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -18.568 12.425 -0.408 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -17.641 15.351 -4.305 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -20.009 14.396 -0.851 1.00 0.00 H new ATOM 0 HZ PHE A 75 -19.545 15.859 -2.800 1.00 0.00 H new ATOM 1200 N TRP A 76 -14.203 11.172 0.745 1.00 0.00 N ATOM 1201 CA TRP A 76 -13.543 10.147 1.605 1.00 0.00 C ATOM 1202 C TRP A 76 -14.535 9.040 1.968 1.00 0.00 C ATOM 1203 O TRP A 76 -15.526 9.275 2.632 1.00 0.00 O ATOM 1204 CB TRP A 76 -13.103 10.904 2.854 1.00 0.00 C ATOM 1205 CG TRP A 76 -11.634 10.717 3.041 1.00 0.00 C ATOM 1206 CD1 TRP A 76 -11.046 9.582 3.477 1.00 0.00 C ATOM 1207 CD2 TRP A 76 -10.562 11.667 2.796 1.00 0.00 C ATOM 1208 NE1 TRP A 76 -9.677 9.780 3.526 1.00 0.00 N ATOM 1209 CE2 TRP A 76 -9.330 11.051 3.116 1.00 0.00 C ATOM 1210 CE3 TRP A 76 -10.541 12.994 2.336 1.00 0.00 C ATOM 1211 CZ2 TRP A 76 -8.118 11.728 2.983 1.00 0.00 C ATOM 1212 CZ3 TRP A 76 -9.323 13.681 2.200 1.00 0.00 C ATOM 1213 CH2 TRP A 76 -8.113 13.048 2.524 1.00 0.00 C ATOM 0 H TRP A 76 -14.506 12.016 1.231 1.00 0.00 H new ATOM 0 HA TRP A 76 -12.704 9.666 1.103 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -13.338 11.964 2.755 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -13.644 10.538 3.727 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -11.559 8.670 3.744 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -9.007 9.073 3.828 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -11.467 13.490 2.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -7.190 11.236 3.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -9.318 14.701 1.845 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -7.179 13.580 2.419 1.00 0.00 H new ATOM 1224 N LYS A 77 -14.280 7.835 1.536 1.00 0.00 N ATOM 1225 CA LYS A 77 -15.213 6.718 1.858 1.00 0.00 C ATOM 1226 C LYS A 77 -14.448 5.540 2.468 1.00 0.00 C ATOM 1227 O LYS A 77 -14.366 4.474 1.891 1.00 0.00 O ATOM 1228 CB LYS A 77 -15.829 6.323 0.516 1.00 0.00 C ATOM 1229 CG LYS A 77 -17.328 6.632 0.533 1.00 0.00 C ATOM 1230 CD LYS A 77 -18.064 5.642 -0.369 1.00 0.00 C ATOM 1231 CE LYS A 77 -19.223 6.353 -1.070 1.00 0.00 C ATOM 1232 NZ LYS A 77 -20.453 5.775 -0.462 1.00 0.00 N ATOM 0 H LYS A 77 -13.468 7.576 0.975 1.00 0.00 H new ATOM 0 HA LYS A 77 -15.970 7.009 2.586 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.344 6.868 -0.294 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.668 5.262 0.328 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -17.712 6.567 1.551 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -17.504 7.652 0.191 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -17.378 5.227 -1.108 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -18.440 4.806 0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -19.176 7.431 -0.916 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -19.197 6.183 -2.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -21.292 6.214 -0.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -20.474 4.749 -0.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -20.453 5.958 0.562 1.00 0.00 H new ATOM 1246 N THR A 78 -13.890 5.723 3.633 1.00 0.00 N ATOM 1247 CA THR A 78 -13.135 4.613 4.284 1.00 0.00 C ATOM 1248 C THR A 78 -12.264 3.888 3.256 1.00 0.00 C ATOM 1249 O THR A 78 -12.683 2.928 2.642 1.00 0.00 O ATOM 1250 CB THR A 78 -14.210 3.674 4.834 1.00 0.00 C ATOM 1251 OG1 THR A 78 -15.365 4.427 5.173 1.00 0.00 O ATOM 1252 CG2 THR A 78 -13.681 2.959 6.078 1.00 0.00 C ATOM 0 H THR A 78 -13.924 6.594 4.163 1.00 0.00 H new ATOM 0 HA THR A 78 -12.467 4.972 5.066 1.00 0.00 H new ATOM 0 HB THR A 78 -14.467 2.934 4.076 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.056 3.827 5.524 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.449 2.291 6.468 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.795 2.380 5.816 1.00 0.00 H new ATOM 0 HG23 THR A 78 -13.421 3.696 6.838 1.00 0.00 H new ATOM 1260 N ASP A 79 -11.054 4.336 3.066 1.00 0.00 N ATOM 1261 CA ASP A 79 -10.160 3.666 2.081 1.00 0.00 C ATOM 1262 C ASP A 79 -9.864 2.234 2.537 1.00 0.00 C ATOM 1263 O ASP A 79 -9.810 1.948 3.716 1.00 0.00 O ATOM 1264 CB ASP A 79 -8.882 4.504 2.070 1.00 0.00 C ATOM 1265 CG ASP A 79 -9.047 5.676 1.102 1.00 0.00 C ATOM 1266 OD1 ASP A 79 -9.807 5.537 0.158 1.00 0.00 O ATOM 1267 OD2 ASP A 79 -8.411 6.694 1.320 1.00 0.00 O ATOM 0 H ASP A 79 -10.646 5.136 3.550 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.607 3.600 1.089 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.669 4.874 3.073 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.034 3.888 1.771 1.00 0.00 H new ATOM 1272 N ALA A 80 -9.674 1.333 1.612 1.00 0.00 N ATOM 1273 CA ALA A 80 -9.383 -0.080 1.994 1.00 0.00 C ATOM 1274 C ALA A 80 -8.397 -0.124 3.165 1.00 0.00 C ATOM 1275 O ALA A 80 -8.379 -1.058 3.940 1.00 0.00 O ATOM 1276 CB ALA A 80 -8.758 -0.705 0.747 1.00 0.00 C ATOM 0 H ALA A 80 -9.707 1.513 0.609 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.279 -0.612 2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.514 -1.748 0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.465 -0.649 -0.081 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.849 -0.164 0.485 1.00 0.00 H new ATOM 1282 N SER A 81 -7.579 0.883 3.299 1.00 0.00 N ATOM 1283 CA SER A 81 -6.595 0.903 4.419 1.00 0.00 C ATOM 1284 C SER A 81 -7.313 0.752 5.763 1.00 0.00 C ATOM 1285 O SER A 81 -6.704 0.453 6.771 1.00 0.00 O ATOM 1286 CB SER A 81 -5.921 2.270 4.326 1.00 0.00 C ATOM 1287 OG SER A 81 -6.919 3.280 4.247 1.00 0.00 O ATOM 0 H SER A 81 -7.549 1.694 2.681 1.00 0.00 H new ATOM 0 HA SER A 81 -5.877 0.085 4.350 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.287 2.436 5.197 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.275 2.311 3.449 1.00 0.00 H new ATOM 0 HG SER A 81 -7.223 3.511 5.150 1.00 0.00 H new ATOM 1293 N ASP A 82 -8.602 0.960 5.790 1.00 0.00 N ATOM 1294 CA ASP A 82 -9.348 0.832 7.074 1.00 0.00 C ATOM 1295 C ASP A 82 -10.591 -0.043 6.891 1.00 0.00 C ATOM 1296 O ASP A 82 -11.581 0.118 7.576 1.00 0.00 O ATOM 1297 CB ASP A 82 -9.746 2.260 7.441 1.00 0.00 C ATOM 1298 CG ASP A 82 -8.491 3.131 7.538 1.00 0.00 C ATOM 1299 OD1 ASP A 82 -7.827 3.065 8.560 1.00 0.00 O ATOM 1300 OD2 ASP A 82 -8.217 3.848 6.591 1.00 0.00 O ATOM 0 H ASP A 82 -9.169 1.212 4.981 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.747 0.360 7.852 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.425 2.664 6.690 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.281 2.267 8.391 1.00 0.00 H new ATOM 1305 N VAL A 83 -10.546 -0.971 5.974 1.00 0.00 N ATOM 1306 CA VAL A 83 -11.727 -1.857 5.754 1.00 0.00 C ATOM 1307 C VAL A 83 -11.385 -3.296 6.150 1.00 0.00 C ATOM 1308 O VAL A 83 -10.235 -3.690 6.158 1.00 0.00 O ATOM 1309 CB VAL A 83 -12.023 -1.767 4.257 1.00 0.00 C ATOM 1310 CG1 VAL A 83 -13.387 -2.395 3.967 1.00 0.00 C ATOM 1311 CG2 VAL A 83 -12.041 -0.298 3.826 1.00 0.00 C ATOM 0 H VAL A 83 -9.746 -1.154 5.369 1.00 0.00 H new ATOM 0 HA VAL A 83 -12.586 -1.556 6.354 1.00 0.00 H new ATOM 0 HB VAL A 83 -11.250 -2.300 3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.598 -2.331 2.899 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.378 -3.441 4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -14.159 -1.861 4.522 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -12.252 -0.235 2.759 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.813 0.235 4.381 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -11.070 0.153 4.031 1.00 0.00 H new ATOM 1321 N LYS A 84 -12.373 -4.083 6.476 1.00 0.00 N ATOM 1322 CA LYS A 84 -12.102 -5.496 6.870 1.00 0.00 C ATOM 1323 C LYS A 84 -12.131 -6.395 5.626 1.00 0.00 C ATOM 1324 O LYS A 84 -13.002 -6.253 4.791 1.00 0.00 O ATOM 1325 CB LYS A 84 -13.242 -5.856 7.825 1.00 0.00 C ATOM 1326 CG LYS A 84 -13.007 -7.251 8.409 1.00 0.00 C ATOM 1327 CD LYS A 84 -12.269 -7.128 9.744 1.00 0.00 C ATOM 1328 CE LYS A 84 -12.452 -8.417 10.549 1.00 0.00 C ATOM 1329 NZ LYS A 84 -13.740 -8.238 11.274 1.00 0.00 N ATOM 0 H LYS A 84 -13.356 -3.810 6.487 1.00 0.00 H new ATOM 0 HA LYS A 84 -11.125 -5.627 7.335 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.302 -5.121 8.628 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -14.195 -5.829 7.296 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -13.959 -7.761 8.553 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -12.424 -7.855 7.713 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -11.209 -6.943 9.570 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.653 -6.277 10.307 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -12.484 -9.289 9.896 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -11.626 -8.569 11.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -14.139 -9.169 11.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -13.574 -7.703 12.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -14.408 -7.716 10.671 1.00 0.00 H new ATOM 1343 N PRO A 85 -11.182 -7.296 5.534 1.00 0.00 N ATOM 1344 CA PRO A 85 -11.122 -8.213 4.371 1.00 0.00 C ATOM 1345 C PRO A 85 -12.425 -9.007 4.256 1.00 0.00 C ATOM 1346 O PRO A 85 -12.977 -9.453 5.242 1.00 0.00 O ATOM 1347 CB PRO A 85 -9.941 -9.123 4.721 1.00 0.00 C ATOM 1348 CG PRO A 85 -9.363 -8.685 6.080 1.00 0.00 C ATOM 1349 CD PRO A 85 -10.134 -7.452 6.569 1.00 0.00 C ATOM 0 HA PRO A 85 -10.999 -7.708 3.413 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -10.266 -10.162 4.766 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -9.175 -9.062 3.948 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -9.447 -9.495 6.805 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.302 -8.453 5.982 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -10.562 -7.608 7.559 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.493 -6.572 6.633 1.00 0.00 H new ATOM 1357 N CYS A 86 -12.926 -9.185 3.064 1.00 0.00 N ATOM 1358 CA CYS A 86 -14.197 -9.947 2.907 1.00 0.00 C ATOM 1359 C CYS A 86 -14.167 -11.208 3.775 1.00 0.00 C ATOM 1360 O CYS A 86 -15.034 -11.339 4.624 1.00 0.00 O ATOM 1361 CB CYS A 86 -14.266 -10.319 1.426 1.00 0.00 C ATOM 1362 SG CYS A 86 -15.981 -10.190 0.854 1.00 0.00 S ATOM 1363 OXT CYS A 86 -13.277 -12.018 3.578 1.00 0.00 O ATOM 0 H CYS A 86 -12.514 -8.838 2.198 1.00 0.00 H new ATOM 0 HA CYS A 86 -15.064 -9.365 3.218 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -13.626 -9.657 0.843 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -13.896 -11.333 1.277 1.00 0.00 H new TER 1368 CYS A 86