USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 761 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 27 ASN : amide:sc= 0.902 K(o=-0.37,f=-6.4) USER MOD Set 1.2: A 29 THR OG1 : rot -115:sc= -1.27! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 158:sc= 1.27 (180deg=0.962) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -144:sc= 0.877 (180deg=-1.07!) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 156:sc= 0.619 (180deg=0.425) USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0553) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0266 USER MOD Single : A 19 MET CE :methyl -155:sc= -0.25 (180deg=-0.988) USER MOD Single : A 20 MET CE :methyl -119:sc= -9.97! (180deg=-17!) USER MOD Single : A 23 THR OG1 : rot 134:sc= 1.17 USER MOD Single : A 25 SER OG : rot 114:sc= -2.35! USER MOD Single : A 31 LYS NZ :NH3+ -167:sc=-0.00743 (180deg=-0.11) USER MOD Single : A 33 THR OG1 : rot -14:sc= -2.22 USER MOD Single : A 37 THR OG1 : rot -69:sc= 0.988 USER MOD Single : A 38 SER OG : rot -76:sc= 1.19 USER MOD Single : A 41 GLN : amide:sc= 1.24 K(o=1.2,f=-0.34) USER MOD Single : A 43 SER OG : rot -83:sc= 1.29 USER MOD Single : A 46 ASN : amide:sc=-0.00487 X(o=-0.0049,f=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -2.49! K(o=-2.5!,f=-0.96) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -160:sc= 0 (180deg=-0.362) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 111:sc= 1.54 USER MOD Single : A 75 LYS NZ :NH3+ -144:sc= 1.24 (180deg=1.15) USER MOD Single : A 80 SER OG : rot 85:sc= 1.17 USER MOD Single : A 81 GLN : amide:sc= -0.523 K(o=-0.52,f=-1.3) USER MOD Single : A 84 CYS SG : rot 33:sc= 0.0117 USER MOD Single : A 88 THR OG1 : rot -9:sc= 0.55 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot -121:sc= -0.199! USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.388 3.668 15.872 1.00 0.00 N ATOM 2 CA GLY A 1 6.998 3.561 15.444 1.00 0.00 C ATOM 3 C GLY A 1 6.146 2.989 16.547 1.00 0.00 C ATOM 4 O GLY A 1 6.336 1.839 16.933 1.00 0.00 O ATOM 0 H1 GLY A 1 8.960 4.064 15.099 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.449 4.292 16.702 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.748 2.725 16.121 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.623 4.544 15.160 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.932 2.927 14.560 1.00 0.00 H new ATOM 8 N PRO A 2 5.203 3.778 17.096 1.00 0.00 N ATOM 9 CA PRO A 2 4.345 3.340 18.210 1.00 0.00 C ATOM 10 C PRO A 2 3.258 2.335 17.786 1.00 0.00 C ATOM 11 O PRO A 2 2.786 1.533 18.597 1.00 0.00 O ATOM 12 CB PRO A 2 3.714 4.650 18.693 1.00 0.00 C ATOM 13 CG PRO A 2 3.700 5.531 17.495 1.00 0.00 C ATOM 14 CD PRO A 2 4.919 5.177 16.702 1.00 0.00 C ATOM 0 HA PRO A 2 4.914 2.808 18.972 1.00 0.00 H new ATOM 0 HB2 PRO A 2 2.706 4.486 19.075 1.00 0.00 H new ATOM 0 HB3 PRO A 2 4.294 5.093 19.503 1.00 0.00 H new ATOM 0 HG2 PRO A 2 2.795 5.375 16.908 1.00 0.00 H new ATOM 0 HG3 PRO A 2 3.715 6.582 17.784 1.00 0.00 H new ATOM 0 HD2 PRO A 2 4.738 5.262 15.631 1.00 0.00 H new ATOM 0 HD3 PRO A 2 5.755 5.836 16.937 1.00 0.00 H new ATOM 22 N GLY A 3 2.881 2.377 16.532 1.00 0.00 N ATOM 23 CA GLY A 3 1.856 1.498 16.026 1.00 0.00 C ATOM 24 C GLY A 3 1.037 2.199 14.972 1.00 0.00 C ATOM 25 O GLY A 3 0.638 1.588 13.979 1.00 0.00 O ATOM 0 H GLY A 3 3.272 3.015 15.839 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.312 0.602 15.605 1.00 0.00 H new ATOM 0 HA3 GLY A 3 1.210 1.174 16.842 1.00 0.00 H new ATOM 29 N LYS A 4 0.775 3.484 15.178 1.00 0.00 N ATOM 30 CA LYS A 4 0.121 4.265 14.164 1.00 0.00 C ATOM 31 C LYS A 4 1.108 5.267 13.586 1.00 0.00 C ATOM 32 O LYS A 4 1.688 6.082 14.332 1.00 0.00 O ATOM 33 CB LYS A 4 -1.191 4.936 14.636 1.00 0.00 C ATOM 34 CG LYS A 4 -1.113 5.775 15.904 1.00 0.00 C ATOM 35 CD LYS A 4 -2.429 6.516 16.125 1.00 0.00 C ATOM 36 CE LYS A 4 -2.489 7.231 17.469 1.00 0.00 C ATOM 37 NZ LYS A 4 -1.355 8.151 17.682 1.00 0.00 N ATOM 0 H LYS A 4 1.007 3.993 16.031 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.198 3.580 13.378 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.557 5.572 13.830 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.936 4.155 14.790 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.899 5.135 16.760 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.293 6.489 15.827 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.569 7.244 15.326 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.255 5.807 16.059 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.422 7.791 17.535 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.504 6.490 18.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.615 8.863 18.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.530 7.613 18.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.120 8.626 16.787 1.00 0.00 H new ATOM 51 N PRO A 5 1.341 5.203 12.270 1.00 0.00 N ATOM 52 CA PRO A 5 2.343 6.007 11.600 1.00 0.00 C ATOM 53 C PRO A 5 1.852 7.412 11.297 1.00 0.00 C ATOM 54 O PRO A 5 0.953 7.620 10.460 1.00 0.00 O ATOM 55 CB PRO A 5 2.610 5.230 10.292 1.00 0.00 C ATOM 56 CG PRO A 5 1.742 4.006 10.371 1.00 0.00 C ATOM 57 CD PRO A 5 0.639 4.357 11.305 1.00 0.00 C ATOM 0 HA PRO A 5 3.231 6.147 12.216 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.360 5.833 9.419 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.662 4.960 10.203 1.00 0.00 H new ATOM 0 HG2 PRO A 5 1.353 3.737 9.389 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.307 3.148 10.736 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -0.170 4.888 10.804 1.00 0.00 H new ATOM 0 HD3 PRO A 5 0.200 3.476 11.773 1.00 0.00 H new ATOM 65 N GLU A 6 2.411 8.364 11.988 1.00 0.00 N ATOM 66 CA GLU A 6 2.059 9.747 11.803 1.00 0.00 C ATOM 67 C GLU A 6 3.276 10.566 11.435 1.00 0.00 C ATOM 68 O GLU A 6 3.165 11.574 10.717 1.00 0.00 O ATOM 69 CB GLU A 6 1.417 10.312 13.055 1.00 0.00 C ATOM 70 CG GLU A 6 0.151 9.608 13.464 1.00 0.00 C ATOM 71 CD GLU A 6 -0.418 10.197 14.698 1.00 0.00 C ATOM 72 OE1 GLU A 6 -1.056 11.257 14.609 1.00 0.00 O ATOM 73 OE2 GLU A 6 -0.235 9.617 15.788 1.00 0.00 O ATOM 0 H GLU A 6 3.126 8.205 12.698 1.00 0.00 H new ATOM 0 HA GLU A 6 1.340 9.801 10.986 1.00 0.00 H new ATOM 0 HB2 GLU A 6 2.133 10.256 13.875 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.198 11.368 12.894 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.580 9.672 12.658 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.357 8.550 13.625 1.00 0.00 H new ATOM 80 N SER A 7 4.451 10.102 11.860 1.00 0.00 N ATOM 81 CA SER A 7 5.694 10.813 11.619 1.00 0.00 C ATOM 82 C SER A 7 5.984 10.926 10.123 1.00 0.00 C ATOM 83 O SER A 7 6.733 11.805 9.690 1.00 0.00 O ATOM 84 CB SER A 7 6.827 10.144 12.381 1.00 0.00 C ATOM 85 OG SER A 7 6.500 10.076 13.769 1.00 0.00 O ATOM 0 H SER A 7 4.562 9.229 12.376 1.00 0.00 H new ATOM 0 HA SER A 7 5.600 11.833 11.991 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.000 9.142 11.989 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.752 10.704 12.243 1.00 0.00 H new ATOM 0 HG SER A 7 7.231 9.643 14.257 1.00 0.00 H new ATOM 91 N ILE A 8 5.359 10.042 9.349 1.00 0.00 N ATOM 92 CA ILE A 8 5.390 10.082 7.914 1.00 0.00 C ATOM 93 C ILE A 8 5.094 11.501 7.386 1.00 0.00 C ATOM 94 O ILE A 8 5.993 12.179 6.901 1.00 0.00 O ATOM 95 CB ILE A 8 4.414 9.027 7.292 1.00 0.00 C ATOM 96 CG1 ILE A 8 4.306 9.204 5.786 1.00 0.00 C ATOM 97 CG2 ILE A 8 3.057 8.978 7.968 1.00 0.00 C ATOM 98 CD1 ILE A 8 5.591 8.881 5.080 1.00 0.00 C ATOM 0 H ILE A 8 4.810 9.268 9.722 1.00 0.00 H new ATOM 0 HA ILE A 8 6.400 9.818 7.600 1.00 0.00 H new ATOM 0 HB ILE A 8 4.856 8.049 7.483 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.513 8.562 5.403 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.020 10.232 5.563 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.436 8.225 7.483 1.00 0.00 H new ATOM 0 HG22 ILE A 8 3.184 8.722 9.020 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.575 9.952 7.887 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.462 9.023 4.007 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.380 9.540 5.441 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.865 7.845 5.279 1.00 0.00 H new ATOM 110 N LEU A 9 3.890 11.993 7.581 1.00 0.00 N ATOM 111 CA LEU A 9 3.568 13.286 7.035 1.00 0.00 C ATOM 112 C LEU A 9 4.002 14.353 7.964 1.00 0.00 C ATOM 113 O LEU A 9 4.461 15.419 7.524 1.00 0.00 O ATOM 114 CB LEU A 9 2.085 13.469 6.715 1.00 0.00 C ATOM 115 CG LEU A 9 1.433 12.386 5.908 1.00 0.00 C ATOM 116 CD1 LEU A 9 0.816 11.364 6.833 1.00 0.00 C ATOM 117 CD2 LEU A 9 0.418 12.979 4.973 1.00 0.00 C ATOM 0 H LEU A 9 3.141 11.532 8.097 1.00 0.00 H new ATOM 0 HA LEU A 9 4.106 13.354 6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.543 13.566 7.656 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.966 14.411 6.180 1.00 0.00 H new ATOM 0 HG LEU A 9 2.182 11.879 5.299 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.343 10.578 6.244 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.592 10.928 7.463 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.067 11.847 7.461 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.049 12.184 4.392 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.344 13.504 5.549 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.910 13.680 4.299 1.00 0.00 H new ATOM 129 N LYS A 10 3.940 14.050 9.260 1.00 0.00 N ATOM 130 CA LYS A 10 4.232 15.022 10.271 1.00 0.00 C ATOM 131 C LYS A 10 5.715 15.421 10.286 1.00 0.00 C ATOM 132 O LYS A 10 6.095 16.426 10.901 1.00 0.00 O ATOM 133 CB LYS A 10 3.726 14.583 11.653 1.00 0.00 C ATOM 134 CG LYS A 10 2.195 14.500 11.747 1.00 0.00 C ATOM 135 CD LYS A 10 1.738 14.135 13.153 1.00 0.00 C ATOM 136 CE LYS A 10 0.217 14.256 13.320 1.00 0.00 C ATOM 137 NZ LYS A 10 -0.563 13.221 12.597 1.00 0.00 N ATOM 0 H LYS A 10 3.687 13.129 9.619 1.00 0.00 H new ATOM 0 HA LYS A 10 3.679 15.924 10.010 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.150 13.608 11.894 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.091 15.284 12.404 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.760 15.457 11.460 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.826 13.757 11.040 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.046 13.114 13.379 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.233 14.785 13.874 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.025 14.201 14.381 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.097 15.240 12.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.443 13.640 12.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.001 12.855 11.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.793 12.442 13.247 1.00 0.00 H new ATOM 151 N MET A 11 6.554 14.633 9.642 1.00 0.00 N ATOM 152 CA MET A 11 7.942 15.011 9.483 1.00 0.00 C ATOM 153 C MET A 11 8.272 15.304 8.016 1.00 0.00 C ATOM 154 O MET A 11 9.064 16.199 7.730 1.00 0.00 O ATOM 155 CB MET A 11 8.897 13.958 10.079 1.00 0.00 C ATOM 156 CG MET A 11 10.372 14.293 9.944 1.00 0.00 C ATOM 157 SD MET A 11 11.434 13.066 10.733 1.00 0.00 S ATOM 158 CE MET A 11 13.055 13.732 10.347 1.00 0.00 C ATOM 0 H MET A 11 6.302 13.737 9.225 1.00 0.00 H new ATOM 0 HA MET A 11 8.094 15.932 10.047 1.00 0.00 H new ATOM 0 HB2 MET A 11 8.662 13.831 11.136 1.00 0.00 H new ATOM 0 HB3 MET A 11 8.710 13.000 9.593 1.00 0.00 H new ATOM 0 HG2 MET A 11 10.629 14.366 8.887 1.00 0.00 H new ATOM 0 HG3 MET A 11 10.561 15.271 10.387 1.00 0.00 H new ATOM 0 HE1 MET A 11 13.824 13.084 10.768 1.00 0.00 H new ATOM 0 HE2 MET A 11 13.178 13.786 9.265 1.00 0.00 H new ATOM 0 HE3 MET A 11 13.149 14.731 10.773 1.00 0.00 H new ATOM 168 N THR A 12 7.655 14.588 7.087 1.00 0.00 N ATOM 169 CA THR A 12 7.977 14.769 5.688 1.00 0.00 C ATOM 170 C THR A 12 7.118 15.845 4.980 1.00 0.00 C ATOM 171 O THR A 12 7.683 16.824 4.477 1.00 0.00 O ATOM 172 CB THR A 12 7.949 13.417 4.933 1.00 0.00 C ATOM 173 OG1 THR A 12 8.871 12.522 5.592 1.00 0.00 O ATOM 174 CG2 THR A 12 8.375 13.570 3.471 1.00 0.00 C ATOM 0 H THR A 12 6.939 13.887 7.277 1.00 0.00 H new ATOM 0 HA THR A 12 8.995 15.157 5.660 1.00 0.00 H new ATOM 0 HB THR A 12 6.929 13.032 4.945 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.871 11.656 5.133 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.341 12.598 2.979 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.697 14.257 2.965 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.390 13.964 3.427 1.00 0.00 H new ATOM 182 N LYS A 13 5.773 15.725 5.018 1.00 0.00 N ATOM 183 CA LYS A 13 4.891 16.615 4.224 1.00 0.00 C ATOM 184 C LYS A 13 3.443 16.112 4.360 1.00 0.00 C ATOM 185 O LYS A 13 3.137 14.988 3.955 1.00 0.00 O ATOM 186 CB LYS A 13 5.345 16.583 2.715 1.00 0.00 C ATOM 187 CG LYS A 13 4.824 17.699 1.796 1.00 0.00 C ATOM 188 CD LYS A 13 3.367 17.539 1.436 1.00 0.00 C ATOM 189 CE LYS A 13 2.873 18.701 0.602 1.00 0.00 C ATOM 190 NZ LYS A 13 1.420 18.619 0.332 1.00 0.00 N ATOM 0 H LYS A 13 5.278 15.033 5.580 1.00 0.00 H new ATOM 0 HA LYS A 13 4.954 17.641 4.586 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.434 16.608 2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.038 15.627 2.291 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.967 18.662 2.287 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.418 17.716 0.882 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.227 16.609 0.886 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.772 17.464 2.346 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.092 19.636 1.118 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.416 18.724 -0.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.049 19.570 0.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.254 18.005 -0.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.934 18.224 1.162 1.00 0.00 H new ATOM 204 N LYS A 14 2.571 16.917 4.944 1.00 0.00 N ATOM 205 CA LYS A 14 1.173 16.517 5.136 1.00 0.00 C ATOM 206 C LYS A 14 0.359 16.772 3.839 1.00 0.00 C ATOM 207 O LYS A 14 0.835 17.493 2.969 1.00 0.00 O ATOM 208 CB LYS A 14 0.541 17.275 6.298 1.00 0.00 C ATOM 209 CG LYS A 14 1.256 17.098 7.628 1.00 0.00 C ATOM 210 CD LYS A 14 0.561 17.866 8.745 1.00 0.00 C ATOM 211 CE LYS A 14 0.452 19.362 8.438 1.00 0.00 C ATOM 212 NZ LYS A 14 1.773 19.994 8.229 1.00 0.00 N ATOM 0 H LYS A 14 2.797 17.848 5.294 1.00 0.00 H new ATOM 0 HA LYS A 14 1.157 15.452 5.369 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.515 18.337 6.052 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.493 16.948 6.409 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.294 16.039 7.883 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.286 17.441 7.536 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.437 17.455 8.900 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.111 17.727 9.676 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.160 19.503 7.547 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.061 19.862 9.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.652 21.020 8.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.380 19.811 9.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.218 19.596 7.377 1.00 0.00 H new ATOM 226 N GLY A 15 -0.900 16.276 3.751 1.00 0.00 N ATOM 227 CA GLY A 15 -1.649 16.361 2.492 1.00 0.00 C ATOM 228 C GLY A 15 -0.834 15.862 1.260 1.00 0.00 C ATOM 229 O GLY A 15 -0.659 16.619 0.306 1.00 0.00 O ATOM 0 H GLY A 15 -1.399 15.827 4.519 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.562 15.772 2.579 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.952 17.395 2.325 1.00 0.00 H new ATOM 233 N LYS A 16 -0.307 14.621 1.275 1.00 0.00 N ATOM 234 CA LYS A 16 0.499 14.148 0.182 1.00 0.00 C ATOM 235 C LYS A 16 -0.005 12.799 -0.326 1.00 0.00 C ATOM 236 O LYS A 16 -0.139 11.839 0.451 1.00 0.00 O ATOM 237 CB LYS A 16 1.976 14.056 0.621 1.00 0.00 C ATOM 238 CG LYS A 16 2.915 13.458 -0.418 1.00 0.00 C ATOM 239 CD LYS A 16 2.973 14.278 -1.688 1.00 0.00 C ATOM 240 CE LYS A 16 3.785 13.564 -2.759 1.00 0.00 C ATOM 241 NZ LYS A 16 3.757 14.287 -4.039 1.00 0.00 N ATOM 0 H LYS A 16 -0.435 13.951 2.033 1.00 0.00 H new ATOM 0 HA LYS A 16 0.422 14.858 -0.641 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.328 15.056 0.875 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.034 13.457 1.530 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.916 13.379 0.005 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.589 12.446 -0.658 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.963 14.461 -2.054 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.417 15.251 -1.477 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.817 13.459 -2.423 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.393 12.557 -2.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.321 13.769 -4.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.775 14.365 -4.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.155 15.239 -3.909 1.00 0.00 H new ATOM 255 N THR A 17 -0.322 12.754 -1.596 1.00 0.00 N ATOM 256 CA THR A 17 -0.707 11.545 -2.273 1.00 0.00 C ATOM 257 C THR A 17 0.530 10.647 -2.461 1.00 0.00 C ATOM 258 O THR A 17 1.605 11.134 -2.824 1.00 0.00 O ATOM 259 CB THR A 17 -1.326 11.899 -3.643 1.00 0.00 C ATOM 260 OG1 THR A 17 -0.469 12.842 -4.320 1.00 0.00 O ATOM 261 CG2 THR A 17 -2.705 12.515 -3.470 1.00 0.00 C ATOM 0 H THR A 17 -0.319 13.576 -2.200 1.00 0.00 H new ATOM 0 HA THR A 17 -1.446 11.008 -1.679 1.00 0.00 H new ATOM 0 HB THR A 17 -1.423 10.985 -4.229 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.856 13.069 -5.191 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.121 12.756 -4.448 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.359 11.806 -2.962 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.625 13.425 -2.875 1.00 0.00 H new ATOM 269 N LEU A 18 0.396 9.373 -2.198 1.00 0.00 N ATOM 270 CA LEU A 18 1.549 8.475 -2.280 1.00 0.00 C ATOM 271 C LEU A 18 1.118 7.208 -3.045 1.00 0.00 C ATOM 272 O LEU A 18 0.197 6.511 -2.642 1.00 0.00 O ATOM 273 CB LEU A 18 2.037 8.141 -0.824 1.00 0.00 C ATOM 274 CG LEU A 18 3.502 7.731 -0.525 1.00 0.00 C ATOM 275 CD1 LEU A 18 4.030 6.583 -1.317 1.00 0.00 C ATOM 276 CD2 LEU A 18 4.463 8.896 -0.500 1.00 0.00 C ATOM 0 H LEU A 18 -0.480 8.926 -1.928 1.00 0.00 H new ATOM 0 HA LEU A 18 2.380 8.937 -2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.824 9.017 -0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.403 7.334 -0.457 1.00 0.00 H new ATOM 0 HG LEU A 18 3.437 7.348 0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.061 6.384 -1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.422 5.699 -1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.993 6.826 -2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.468 8.534 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.456 9.394 -1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.159 9.602 0.273 1.00 0.00 H new ATOM 288 N MET A 19 1.704 6.970 -4.166 1.00 0.00 N ATOM 289 CA MET A 19 1.439 5.731 -4.890 1.00 0.00 C ATOM 290 C MET A 19 2.497 4.702 -4.524 1.00 0.00 C ATOM 291 O MET A 19 3.696 4.938 -4.721 1.00 0.00 O ATOM 292 CB MET A 19 1.385 5.944 -6.424 1.00 0.00 C ATOM 293 CG MET A 19 2.646 6.539 -7.054 1.00 0.00 C ATOM 294 SD MET A 19 2.591 6.542 -8.863 1.00 0.00 S ATOM 295 CE MET A 19 2.511 4.777 -9.187 1.00 0.00 C ATOM 0 H MET A 19 2.369 7.599 -4.617 1.00 0.00 H new ATOM 0 HA MET A 19 0.454 5.369 -4.594 1.00 0.00 H new ATOM 0 HB2 MET A 19 1.181 4.984 -6.899 1.00 0.00 H new ATOM 0 HB3 MET A 19 0.543 6.598 -6.653 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.778 7.561 -6.697 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.515 5.971 -6.722 1.00 0.00 H new ATOM 0 HE1 MET A 19 2.907 4.571 -10.181 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.102 4.243 -8.443 1.00 0.00 H new ATOM 0 HE3 MET A 19 1.475 4.444 -9.134 1.00 0.00 H new ATOM 305 N MET A 20 2.107 3.587 -3.954 1.00 0.00 N ATOM 306 CA MET A 20 3.118 2.625 -3.584 1.00 0.00 C ATOM 307 C MET A 20 2.930 1.278 -4.223 1.00 0.00 C ATOM 308 O MET A 20 1.786 0.701 -4.213 1.00 0.00 O ATOM 309 CB MET A 20 3.309 2.494 -2.067 1.00 0.00 C ATOM 310 CG MET A 20 2.188 1.873 -1.282 1.00 0.00 C ATOM 311 SD MET A 20 0.788 2.951 -1.053 1.00 0.00 S ATOM 312 CE MET A 20 1.523 4.288 -0.229 1.00 0.00 C ATOM 0 H MET A 20 1.143 3.329 -3.743 1.00 0.00 H new ATOM 0 HA MET A 20 4.041 3.040 -3.988 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.210 1.907 -1.890 1.00 0.00 H new ATOM 0 HB3 MET A 20 3.493 3.490 -1.663 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.858 0.968 -1.791 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.565 1.570 -0.305 1.00 0.00 H new ATOM 0 HE1 MET A 20 1.064 4.408 0.752 1.00 0.00 H new ATOM 0 HE2 MET A 20 2.590 4.100 -0.110 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.378 5.198 -0.811 1.00 0.00 H new ATOM 322 N PHE A 21 4.056 0.763 -4.756 1.00 0.00 N ATOM 323 CA PHE A 21 4.113 -0.531 -5.377 1.00 0.00 C ATOM 324 C PHE A 21 4.609 -1.472 -4.330 1.00 0.00 C ATOM 325 O PHE A 21 5.731 -1.335 -3.785 1.00 0.00 O ATOM 326 CB PHE A 21 5.053 -0.568 -6.627 1.00 0.00 C ATOM 327 CG PHE A 21 5.074 -1.906 -7.403 1.00 0.00 C ATOM 328 CD1 PHE A 21 5.403 -3.108 -6.771 1.00 0.00 C ATOM 329 CD2 PHE A 21 4.761 -1.954 -8.762 1.00 0.00 C ATOM 330 CE1 PHE A 21 5.412 -4.303 -7.447 1.00 0.00 C ATOM 331 CE2 PHE A 21 4.781 -3.167 -9.441 1.00 0.00 C ATOM 332 CZ PHE A 21 5.103 -4.334 -8.780 1.00 0.00 C ATOM 0 H PHE A 21 4.949 1.256 -4.756 1.00 0.00 H new ATOM 0 HA PHE A 21 3.125 -0.804 -5.747 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.750 0.225 -7.311 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.068 -0.339 -6.304 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.657 -3.097 -5.721 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.503 -1.047 -9.288 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.662 -5.216 -6.928 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.543 -3.196 -10.494 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.111 -5.272 -9.314 1.00 0.00 H new ATOM 342 N VAL A 22 3.816 -2.395 -4.049 1.00 0.00 N ATOM 343 CA VAL A 22 4.081 -3.338 -3.040 1.00 0.00 C ATOM 344 C VAL A 22 4.068 -4.717 -3.662 1.00 0.00 C ATOM 345 O VAL A 22 3.157 -4.982 -4.487 1.00 0.00 O ATOM 346 CB VAL A 22 3.040 -3.118 -1.888 1.00 0.00 C ATOM 347 CG1 VAL A 22 1.705 -2.694 -2.490 1.00 0.00 C ATOM 348 CG2 VAL A 22 2.867 -4.338 -0.974 1.00 0.00 C ATOM 0 H VAL A 22 2.924 -2.535 -4.524 1.00 0.00 H new ATOM 0 HA VAL A 22 5.067 -3.223 -2.589 1.00 0.00 H new ATOM 0 HB VAL A 22 3.430 -2.328 -1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.979 -2.540 -1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.835 -1.766 -3.046 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.346 -3.473 -3.163 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.132 -4.112 -0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.524 -5.188 -1.563 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.821 -4.581 -0.507 1.00 0.00 H new ATOM 358 N THR A 23 5.163 -5.503 -3.331 1.00 0.00 N ATOM 359 CA THR A 23 5.531 -6.878 -3.755 1.00 0.00 C ATOM 360 C THR A 23 5.135 -8.009 -2.623 1.00 0.00 C ATOM 361 O THR A 23 5.146 -7.702 -1.402 1.00 0.00 O ATOM 362 CB THR A 23 7.064 -6.905 -4.016 1.00 0.00 C ATOM 363 OG1 THR A 23 7.404 -5.969 -5.067 1.00 0.00 O ATOM 364 CG2 THR A 23 7.566 -8.292 -4.376 1.00 0.00 C ATOM 0 H THR A 23 5.869 -5.132 -2.695 1.00 0.00 H new ATOM 0 HA THR A 23 4.973 -7.127 -4.657 1.00 0.00 H new ATOM 0 HB THR A 23 7.555 -6.613 -3.087 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.181 -5.438 -4.794 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.642 -8.256 -4.548 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.352 -8.980 -3.558 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.065 -8.637 -5.281 1.00 0.00 H new ATOM 372 N VAL A 24 4.851 -9.314 -3.059 1.00 0.00 N ATOM 373 CA VAL A 24 4.251 -10.396 -2.248 1.00 0.00 C ATOM 374 C VAL A 24 5.263 -11.617 -2.234 1.00 0.00 C ATOM 375 O VAL A 24 6.118 -11.680 -3.127 1.00 0.00 O ATOM 376 CB VAL A 24 2.924 -10.880 -2.978 1.00 0.00 C ATOM 377 CG1 VAL A 24 3.154 -12.036 -3.925 1.00 0.00 C ATOM 378 CG2 VAL A 24 1.747 -11.197 -2.084 1.00 0.00 C ATOM 0 H VAL A 24 5.051 -9.613 -4.013 1.00 0.00 H new ATOM 0 HA VAL A 24 4.039 -10.049 -1.237 1.00 0.00 H new ATOM 0 HB VAL A 24 2.647 -9.989 -3.542 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.210 -12.318 -4.391 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.864 -11.739 -4.696 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.554 -12.886 -3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.902 -11.516 -2.694 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.019 -11.996 -1.395 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.470 -10.308 -1.518 1.00 0.00 H new ATOM 388 N SER A 25 5.236 -12.522 -1.231 1.00 0.00 N ATOM 389 CA SER A 25 6.045 -13.737 -1.313 1.00 0.00 C ATOM 390 C SER A 25 5.066 -14.935 -1.560 1.00 0.00 C ATOM 391 O SER A 25 3.863 -14.736 -1.486 1.00 0.00 O ATOM 392 CB SER A 25 6.826 -13.930 0.012 1.00 0.00 C ATOM 393 OG SER A 25 7.679 -12.854 0.268 1.00 0.00 O ATOM 0 H SER A 25 4.677 -12.431 -0.383 1.00 0.00 H new ATOM 0 HA SER A 25 6.771 -13.674 -2.124 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.122 -14.041 0.837 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.406 -14.851 -0.038 1.00 0.00 H new ATOM 0 HG SER A 25 7.370 -12.374 1.065 1.00 0.00 H new ATOM 399 N GLY A 26 5.558 -16.134 -1.896 1.00 0.00 N ATOM 400 CA GLY A 26 4.682 -17.269 -2.007 1.00 0.00 C ATOM 401 C GLY A 26 4.605 -17.801 -3.437 1.00 0.00 C ATOM 402 O GLY A 26 5.414 -18.663 -3.791 1.00 0.00 O ATOM 0 H GLY A 26 6.541 -16.325 -2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.031 -18.061 -1.345 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.684 -16.989 -1.671 1.00 0.00 H new ATOM 406 N ASN A 27 3.694 -17.300 -4.292 1.00 0.00 N ATOM 407 CA ASN A 27 3.590 -17.806 -5.612 1.00 0.00 C ATOM 408 C ASN A 27 3.961 -16.662 -6.525 1.00 0.00 C ATOM 409 O ASN A 27 3.240 -15.662 -6.576 1.00 0.00 O ATOM 410 CB ASN A 27 2.150 -18.273 -5.883 1.00 0.00 C ATOM 411 CG ASN A 27 2.028 -19.193 -7.083 1.00 0.00 C ATOM 412 OD1 ASN A 27 2.818 -19.132 -8.025 1.00 0.00 O ATOM 413 ND2 ASN A 27 1.033 -20.045 -7.069 1.00 0.00 N ATOM 0 H ASN A 27 3.039 -16.552 -4.065 1.00 0.00 H new ATOM 0 HA ASN A 27 4.243 -18.664 -5.771 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.771 -18.788 -5.000 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.516 -17.400 -6.039 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.896 -20.682 -7.854 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.395 -20.071 -6.273 1.00 0.00 H new ATOM 420 N PRO A 28 5.088 -16.764 -7.237 1.00 0.00 N ATOM 421 CA PRO A 28 5.620 -15.682 -8.101 1.00 0.00 C ATOM 422 C PRO A 28 4.821 -15.505 -9.401 1.00 0.00 C ATOM 423 O PRO A 28 5.357 -15.077 -10.416 1.00 0.00 O ATOM 424 CB PRO A 28 7.048 -16.172 -8.436 1.00 0.00 C ATOM 425 CG PRO A 28 7.297 -17.337 -7.539 1.00 0.00 C ATOM 426 CD PRO A 28 5.961 -17.939 -7.270 1.00 0.00 C ATOM 0 HA PRO A 28 5.574 -14.714 -7.602 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.127 -16.461 -9.484 1.00 0.00 H new ATOM 0 HB3 PRO A 28 7.782 -15.384 -8.267 1.00 0.00 H new ATOM 0 HG2 PRO A 28 7.962 -18.059 -8.012 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.777 -17.021 -6.613 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.667 -18.642 -8.050 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.944 -18.485 -6.327 1.00 0.00 H new ATOM 434 N THR A 29 3.553 -15.798 -9.354 1.00 0.00 N ATOM 435 CA THR A 29 2.711 -15.718 -10.499 1.00 0.00 C ATOM 436 C THR A 29 1.481 -14.878 -10.134 1.00 0.00 C ATOM 437 O THR A 29 1.452 -14.210 -9.088 1.00 0.00 O ATOM 438 CB THR A 29 2.235 -17.117 -10.903 1.00 0.00 C ATOM 439 OG1 THR A 29 1.514 -17.681 -9.809 1.00 0.00 O ATOM 440 CG2 THR A 29 3.402 -18.023 -11.275 1.00 0.00 C ATOM 0 H THR A 29 3.075 -16.102 -8.506 1.00 0.00 H new ATOM 0 HA THR A 29 3.264 -15.271 -11.325 1.00 0.00 H new ATOM 0 HB THR A 29 1.596 -17.031 -11.782 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.995 -18.465 -9.470 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.024 -19.006 -11.556 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.946 -17.590 -12.115 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.072 -18.122 -10.421 1.00 0.00 H new ATOM 448 N GLU A 30 0.441 -14.950 -10.926 1.00 0.00 N ATOM 449 CA GLU A 30 -0.722 -14.172 -10.679 1.00 0.00 C ATOM 450 C GLU A 30 -1.662 -14.864 -9.660 1.00 0.00 C ATOM 451 O GLU A 30 -2.677 -14.331 -9.325 1.00 0.00 O ATOM 452 CB GLU A 30 -1.440 -13.884 -11.995 1.00 0.00 C ATOM 453 CG GLU A 30 -2.582 -12.897 -11.887 1.00 0.00 C ATOM 454 CD GLU A 30 -3.276 -12.709 -13.178 1.00 0.00 C ATOM 455 OE1 GLU A 30 -4.211 -13.480 -13.479 1.00 0.00 O ATOM 456 OE2 GLU A 30 -2.904 -11.791 -13.928 1.00 0.00 O ATOM 0 H GLU A 30 0.387 -15.548 -11.751 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.418 -13.225 -10.234 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.714 -13.503 -12.714 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.824 -14.822 -12.397 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.294 -13.247 -11.140 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.200 -11.938 -11.538 1.00 0.00 H new ATOM 463 N LYS A 31 -1.291 -16.017 -9.129 1.00 0.00 N ATOM 464 CA LYS A 31 -2.203 -16.705 -8.194 1.00 0.00 C ATOM 465 C LYS A 31 -2.333 -15.960 -6.857 1.00 0.00 C ATOM 466 O LYS A 31 -3.479 -15.704 -6.346 1.00 0.00 O ATOM 467 CB LYS A 31 -1.861 -18.206 -7.979 1.00 0.00 C ATOM 468 CG LYS A 31 -2.178 -19.161 -9.143 1.00 0.00 C ATOM 469 CD LYS A 31 -1.257 -18.958 -10.335 1.00 0.00 C ATOM 470 CE LYS A 31 -1.860 -18.029 -11.402 1.00 0.00 C ATOM 471 NZ LYS A 31 -3.012 -18.624 -12.115 1.00 0.00 N ATOM 0 H LYS A 31 -0.406 -16.491 -9.310 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.178 -16.686 -8.680 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.797 -18.284 -7.755 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.398 -18.554 -7.097 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.095 -20.191 -8.796 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.211 -19.013 -9.458 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.310 -18.542 -9.990 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.035 -19.925 -10.786 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.176 -17.100 -10.928 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.088 -17.770 -12.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.232 -18.053 -12.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.776 -19.594 -12.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.839 -18.643 -11.484 1.00 0.00 H new ATOM 485 N GLU A 32 -1.202 -15.527 -6.321 1.00 0.00 N ATOM 486 CA GLU A 32 -1.212 -14.833 -5.052 1.00 0.00 C ATOM 487 C GLU A 32 -1.854 -13.505 -5.334 1.00 0.00 C ATOM 488 O GLU A 32 -2.709 -13.030 -4.620 1.00 0.00 O ATOM 489 CB GLU A 32 0.225 -14.628 -4.530 1.00 0.00 C ATOM 490 CG GLU A 32 0.393 -14.681 -3.016 1.00 0.00 C ATOM 491 CD GLU A 32 0.247 -16.108 -2.532 1.00 0.00 C ATOM 492 OE1 GLU A 32 1.236 -16.854 -2.568 1.00 0.00 O ATOM 493 OE2 GLU A 32 -0.869 -16.531 -2.157 1.00 0.00 O ATOM 0 H GLU A 32 -0.280 -15.644 -6.741 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.748 -15.397 -4.289 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.865 -15.390 -4.975 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.586 -13.662 -4.883 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.372 -14.291 -2.736 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.352 -14.047 -2.536 1.00 0.00 H new ATOM 500 N THR A 33 -1.417 -12.964 -6.417 1.00 0.00 N ATOM 501 CA THR A 33 -1.922 -11.775 -7.008 1.00 0.00 C ATOM 502 C THR A 33 -3.418 -11.762 -7.012 1.00 0.00 C ATOM 503 O THR A 33 -3.982 -10.993 -6.312 1.00 0.00 O ATOM 504 CB THR A 33 -1.438 -11.669 -8.434 1.00 0.00 C ATOM 505 OG1 THR A 33 -0.060 -11.880 -8.422 1.00 0.00 O ATOM 506 CG2 THR A 33 -1.733 -10.307 -9.012 1.00 0.00 C ATOM 0 H THR A 33 -0.646 -13.368 -6.949 1.00 0.00 H new ATOM 0 HA THR A 33 -1.562 -10.932 -6.418 1.00 0.00 H new ATOM 0 HB THR A 33 -1.950 -12.407 -9.052 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.273 -11.817 -7.502 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.372 -10.262 -10.040 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.808 -10.130 -8.997 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.231 -9.543 -8.418 1.00 0.00 H new ATOM 514 N GLU A 34 -4.011 -12.690 -7.722 1.00 0.00 N ATOM 515 CA GLU A 34 -5.428 -12.738 -7.930 1.00 0.00 C ATOM 516 C GLU A 34 -6.225 -12.819 -6.625 1.00 0.00 C ATOM 517 O GLU A 34 -7.106 -11.959 -6.383 1.00 0.00 O ATOM 518 CB GLU A 34 -5.793 -13.878 -8.882 1.00 0.00 C ATOM 519 CG GLU A 34 -5.532 -15.273 -8.339 1.00 0.00 C ATOM 520 CD GLU A 34 -5.869 -16.337 -9.328 1.00 0.00 C ATOM 521 OE1 GLU A 34 -5.013 -16.713 -10.130 1.00 0.00 O ATOM 522 OE2 GLU A 34 -7.028 -16.824 -9.320 1.00 0.00 O ATOM 0 H GLU A 34 -3.505 -13.448 -8.180 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.712 -11.793 -8.393 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.850 -13.795 -9.137 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.231 -13.753 -9.808 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.483 -15.361 -8.058 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.119 -15.423 -7.433 1.00 0.00 H new ATOM 529 N GLU A 35 -5.898 -13.799 -5.741 1.00 0.00 N ATOM 530 CA GLU A 35 -6.709 -13.949 -4.510 1.00 0.00 C ATOM 531 C GLU A 35 -6.520 -12.722 -3.615 1.00 0.00 C ATOM 532 O GLU A 35 -7.502 -12.109 -3.093 1.00 0.00 O ATOM 533 CB GLU A 35 -6.411 -15.301 -3.742 1.00 0.00 C ATOM 534 CG GLU A 35 -4.944 -15.572 -3.467 1.00 0.00 C ATOM 535 CD GLU A 35 -4.744 -16.851 -2.700 1.00 0.00 C ATOM 536 OE1 GLU A 35 -4.797 -16.820 -1.466 1.00 0.00 O ATOM 537 OE2 GLU A 35 -4.551 -17.914 -3.329 1.00 0.00 O ATOM 0 H GLU A 35 -5.127 -14.458 -5.847 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.757 -14.009 -4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.947 -15.288 -2.793 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.815 -16.129 -4.325 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.402 -15.626 -4.411 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.521 -14.741 -2.903 1.00 0.00 H new ATOM 544 N ILE A 36 -5.284 -12.329 -3.498 1.00 0.00 N ATOM 545 CA ILE A 36 -4.938 -11.211 -2.724 1.00 0.00 C ATOM 546 C ILE A 36 -5.492 -9.882 -3.317 1.00 0.00 C ATOM 547 O ILE A 36 -6.035 -9.113 -2.592 1.00 0.00 O ATOM 548 CB ILE A 36 -3.401 -11.122 -2.413 1.00 0.00 C ATOM 549 CG1 ILE A 36 -2.945 -12.004 -1.220 1.00 0.00 C ATOM 550 CG2 ILE A 36 -2.968 -9.763 -2.243 1.00 0.00 C ATOM 551 CD1 ILE A 36 -2.525 -13.392 -1.648 1.00 0.00 C ATOM 0 H ILE A 36 -4.494 -12.791 -3.948 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.430 -11.359 -1.763 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.910 -11.533 -3.295 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.113 -11.518 -0.711 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.758 -12.081 -0.499 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.899 -9.746 -2.029 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.165 -9.202 -3.156 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.511 -9.309 -1.414 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.216 -13.965 -0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.363 -13.893 -2.132 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.692 -13.321 -2.348 1.00 0.00 H new ATOM 563 N THR A 37 -5.399 -9.644 -4.634 1.00 0.00 N ATOM 564 CA THR A 37 -5.829 -8.357 -5.194 1.00 0.00 C ATOM 565 C THR A 37 -7.305 -8.183 -5.099 1.00 0.00 C ATOM 566 O THR A 37 -7.772 -7.077 -4.785 1.00 0.00 O ATOM 567 CB THR A 37 -5.384 -8.110 -6.654 1.00 0.00 C ATOM 568 OG1 THR A 37 -5.751 -9.208 -7.484 1.00 0.00 O ATOM 569 CG2 THR A 37 -3.889 -7.844 -6.748 1.00 0.00 C ATOM 0 H THR A 37 -5.038 -10.310 -5.317 1.00 0.00 H new ATOM 0 HA THR A 37 -5.322 -7.615 -4.577 1.00 0.00 H new ATOM 0 HB THR A 37 -5.900 -7.218 -7.008 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.211 -9.991 -7.248 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.614 -7.675 -7.789 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.639 -6.962 -6.159 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.341 -8.704 -6.363 1.00 0.00 H new ATOM 577 N SER A 38 -8.040 -9.263 -5.348 1.00 0.00 N ATOM 578 CA SER A 38 -9.460 -9.210 -5.234 1.00 0.00 C ATOM 579 C SER A 38 -9.845 -8.856 -3.803 1.00 0.00 C ATOM 580 O SER A 38 -10.527 -7.820 -3.572 1.00 0.00 O ATOM 581 CB SER A 38 -10.096 -10.521 -5.715 1.00 0.00 C ATOM 582 OG SER A 38 -9.466 -11.642 -5.117 1.00 0.00 O ATOM 0 H SER A 38 -7.663 -10.169 -5.626 1.00 0.00 H new ATOM 0 HA SER A 38 -9.851 -8.426 -5.883 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.159 -10.524 -5.472 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.017 -10.591 -6.800 1.00 0.00 H new ATOM 0 HG SER A 38 -8.600 -11.798 -5.547 1.00 0.00 H new ATOM 588 N LEU A 39 -9.328 -9.634 -2.830 1.00 0.00 N ATOM 589 CA LEU A 39 -9.639 -9.355 -1.441 1.00 0.00 C ATOM 590 C LEU A 39 -9.106 -7.971 -1.011 1.00 0.00 C ATOM 591 O LEU A 39 -9.850 -7.180 -0.417 1.00 0.00 O ATOM 592 CB LEU A 39 -9.176 -10.501 -0.501 1.00 0.00 C ATOM 593 CG LEU A 39 -9.407 -10.297 1.002 1.00 0.00 C ATOM 594 CD1 LEU A 39 -10.887 -10.113 1.310 1.00 0.00 C ATOM 595 CD2 LEU A 39 -8.852 -11.477 1.777 1.00 0.00 C ATOM 0 H LEU A 39 -8.714 -10.433 -2.987 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.724 -9.312 -1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.687 -11.415 -0.802 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.110 -10.663 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.884 -9.391 1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.021 -9.971 2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.263 -9.239 0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.438 -10.997 0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.020 -11.324 2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.354 -12.390 1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.782 -11.566 1.588 1.00 0.00 H new ATOM 607 N TRP A 40 -7.869 -7.647 -1.393 1.00 0.00 N ATOM 608 CA TRP A 40 -7.243 -6.393 -1.027 1.00 0.00 C ATOM 609 C TRP A 40 -7.939 -5.204 -1.620 1.00 0.00 C ATOM 610 O TRP A 40 -8.685 -4.560 -0.926 1.00 0.00 O ATOM 611 CB TRP A 40 -5.741 -6.340 -1.347 1.00 0.00 C ATOM 612 CG TRP A 40 -4.861 -7.146 -0.427 1.00 0.00 C ATOM 613 CD1 TRP A 40 -5.250 -7.967 0.593 1.00 0.00 C ATOM 614 CD2 TRP A 40 -3.432 -7.185 -0.446 1.00 0.00 C ATOM 615 NE1 TRP A 40 -4.145 -8.513 1.207 1.00 0.00 N ATOM 616 CE2 TRP A 40 -3.013 -8.049 0.592 1.00 0.00 C ATOM 617 CE3 TRP A 40 -2.466 -6.579 -1.242 1.00 0.00 C ATOM 618 CZ2 TRP A 40 -1.654 -8.307 0.848 1.00 0.00 C ATOM 619 CZ3 TRP A 40 -1.133 -6.840 -0.992 1.00 0.00 C ATOM 620 CH2 TRP A 40 -0.734 -7.692 0.044 1.00 0.00 C ATOM 0 H TRP A 40 -7.280 -8.253 -1.965 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.346 -6.344 0.057 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.591 -6.691 -2.368 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.416 -5.300 -1.316 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.274 -8.160 0.876 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.166 -9.160 1.995 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.754 -5.915 -2.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.349 -8.965 1.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -0.380 -6.375 -1.611 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.318 -7.867 0.212 1.00 0.00 H new ATOM 631 N GLN A 41 -7.778 -4.935 -2.926 1.00 0.00 N ATOM 632 CA GLN A 41 -8.312 -3.696 -3.445 1.00 0.00 C ATOM 633 C GLN A 41 -9.836 -3.696 -3.496 1.00 0.00 C ATOM 634 O GLN A 41 -10.464 -2.610 -3.514 1.00 0.00 O ATOM 635 CB GLN A 41 -7.567 -3.129 -4.718 1.00 0.00 C ATOM 636 CG GLN A 41 -7.876 -3.760 -6.072 1.00 0.00 C ATOM 637 CD GLN A 41 -9.035 -3.053 -6.756 1.00 0.00 C ATOM 638 OE1 GLN A 41 -10.188 -3.421 -6.593 1.00 0.00 O ATOM 639 NE2 GLN A 41 -8.728 -2.003 -7.499 1.00 0.00 N ATOM 0 H GLN A 41 -7.304 -5.535 -3.602 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.068 -2.931 -2.708 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.790 -2.064 -4.788 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.495 -3.220 -4.545 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.992 -3.714 -6.708 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.118 -4.814 -5.938 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.753 -1.726 -7.612 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.466 -1.470 -7.959 1.00 0.00 H new ATOM 648 N GLY A 42 -10.441 -4.905 -3.435 1.00 0.00 N ATOM 649 CA GLY A 42 -11.863 -4.992 -3.293 1.00 0.00 C ATOM 650 C GLY A 42 -12.283 -4.397 -1.966 1.00 0.00 C ATOM 651 O GLY A 42 -13.148 -3.510 -1.919 1.00 0.00 O ATOM 0 H GLY A 42 -9.955 -5.801 -3.483 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.352 -4.463 -4.111 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.181 -6.033 -3.352 1.00 0.00 H new ATOM 655 N SER A 43 -11.622 -4.821 -0.882 1.00 0.00 N ATOM 656 CA SER A 43 -11.916 -4.261 0.418 1.00 0.00 C ATOM 657 C SER A 43 -11.388 -2.823 0.511 1.00 0.00 C ATOM 658 O SER A 43 -11.942 -2.000 1.249 1.00 0.00 O ATOM 659 CB SER A 43 -11.390 -5.151 1.571 1.00 0.00 C ATOM 660 OG SER A 43 -9.989 -5.359 1.494 1.00 0.00 O ATOM 0 H SER A 43 -10.895 -5.537 -0.889 1.00 0.00 H new ATOM 0 HA SER A 43 -12.999 -4.230 0.533 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.634 -4.686 2.526 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.900 -6.114 1.545 1.00 0.00 H new ATOM 0 HG SER A 43 -9.801 -6.096 0.876 1.00 0.00 H new ATOM 666 N LEU A 44 -10.333 -2.514 -0.273 1.00 0.00 N ATOM 667 CA LEU A 44 -9.779 -1.168 -0.327 1.00 0.00 C ATOM 668 C LEU A 44 -10.838 -0.165 -0.794 1.00 0.00 C ATOM 669 O LEU A 44 -10.919 0.953 -0.273 1.00 0.00 O ATOM 670 CB LEU A 44 -8.472 -1.054 -1.196 1.00 0.00 C ATOM 671 CG LEU A 44 -7.303 -1.978 -0.865 1.00 0.00 C ATOM 672 CD1 LEU A 44 -5.999 -1.585 -1.649 1.00 0.00 C ATOM 673 CD2 LEU A 44 -7.092 -2.029 0.631 1.00 0.00 C ATOM 0 H LEU A 44 -9.856 -3.187 -0.873 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.479 -0.924 0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.748 -1.226 -2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.114 -0.027 -1.126 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.552 -2.985 -1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.194 -2.269 -1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.187 -1.646 -2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.711 -0.567 -1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.256 -2.691 0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.874 -1.028 1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.994 -2.406 1.113 1.00 0.00 H new ATOM 685 N PHE A 45 -11.685 -0.576 -1.746 1.00 0.00 N ATOM 686 CA PHE A 45 -12.748 0.298 -2.203 1.00 0.00 C ATOM 687 C PHE A 45 -13.982 0.154 -1.308 1.00 0.00 C ATOM 688 O PHE A 45 -14.688 1.129 -1.047 1.00 0.00 O ATOM 689 CB PHE A 45 -13.093 0.030 -3.680 1.00 0.00 C ATOM 690 CG PHE A 45 -14.188 0.899 -4.241 1.00 0.00 C ATOM 691 CD1 PHE A 45 -13.954 2.233 -4.529 1.00 0.00 C ATOM 692 CD2 PHE A 45 -15.449 0.377 -4.487 1.00 0.00 C ATOM 693 CE1 PHE A 45 -14.952 3.030 -5.052 1.00 0.00 C ATOM 694 CE2 PHE A 45 -16.451 1.169 -5.009 1.00 0.00 C ATOM 695 CZ PHE A 45 -16.203 2.498 -5.292 1.00 0.00 C ATOM 0 H PHE A 45 -11.650 -1.489 -2.200 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.397 1.328 -2.133 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -12.194 0.171 -4.280 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -13.387 -1.014 -3.786 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -12.978 2.655 -4.342 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -15.649 -0.661 -4.267 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.755 4.068 -5.273 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -17.429 0.750 -5.196 1.00 0.00 H new ATOM 0 HZ PHE A 45 -16.986 3.120 -5.700 1.00 0.00 H new ATOM 705 N ASN A 46 -14.209 -1.050 -0.796 1.00 0.00 N ATOM 706 CA ASN A 46 -15.373 -1.321 0.049 1.00 0.00 C ATOM 707 C ASN A 46 -15.322 -0.547 1.365 1.00 0.00 C ATOM 708 O ASN A 46 -16.342 -0.073 1.846 1.00 0.00 O ATOM 709 CB ASN A 46 -15.580 -2.840 0.280 1.00 0.00 C ATOM 710 CG ASN A 46 -16.677 -3.141 1.295 1.00 0.00 C ATOM 711 OD1 ASN A 46 -17.857 -3.216 0.954 1.00 0.00 O ATOM 712 ND2 ASN A 46 -16.297 -3.358 2.526 1.00 0.00 N ATOM 0 H ASN A 46 -13.604 -1.857 -0.950 1.00 0.00 H new ATOM 0 HA ASN A 46 -16.246 -0.959 -0.495 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -15.829 -3.316 -0.668 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -14.644 -3.281 0.622 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -16.987 -3.598 3.238 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -15.310 -3.288 2.775 1.00 0.00 H new ATOM 719 N ALA A 47 -14.129 -0.357 1.908 1.00 0.00 N ATOM 720 CA ALA A 47 -13.972 0.368 3.162 1.00 0.00 C ATOM 721 C ALA A 47 -13.851 1.871 2.911 1.00 0.00 C ATOM 722 O ALA A 47 -13.539 2.644 3.823 1.00 0.00 O ATOM 723 CB ALA A 47 -12.790 -0.154 3.935 1.00 0.00 C ATOM 0 H ALA A 47 -13.256 -0.694 1.502 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.865 0.204 3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.691 0.401 4.868 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.938 -1.211 4.156 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.884 -0.031 3.342 1.00 0.00 H new ATOM 729 N ASN A 48 -14.097 2.255 1.661 1.00 0.00 N ATOM 730 CA ASN A 48 -14.191 3.654 1.218 1.00 0.00 C ATOM 731 C ASN A 48 -12.907 4.465 1.459 1.00 0.00 C ATOM 732 O ASN A 48 -12.986 5.673 1.711 1.00 0.00 O ATOM 733 CB ASN A 48 -15.386 4.377 1.919 1.00 0.00 C ATOM 734 CG ASN A 48 -16.741 3.693 1.728 1.00 0.00 C ATOM 735 OD1 ASN A 48 -17.441 3.927 0.745 1.00 0.00 O ATOM 736 ND2 ASN A 48 -17.149 2.900 2.687 1.00 0.00 N ATOM 0 H ASN A 48 -14.241 1.588 0.903 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.351 3.608 0.141 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -15.176 4.448 2.986 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.451 5.396 1.539 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -18.067 2.460 2.629 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -16.548 2.722 3.492 1.00 0.00 H new ATOM 743 N TYR A 49 -11.719 3.861 1.326 1.00 0.00 N ATOM 744 CA TYR A 49 -10.485 4.616 1.598 1.00 0.00 C ATOM 745 C TYR A 49 -10.014 5.599 0.467 1.00 0.00 C ATOM 746 O TYR A 49 -8.855 5.934 0.455 1.00 0.00 O ATOM 747 CB TYR A 49 -9.361 3.661 1.945 1.00 0.00 C ATOM 748 CG TYR A 49 -9.311 3.167 3.341 1.00 0.00 C ATOM 749 CD1 TYR A 49 -9.326 4.020 4.419 1.00 0.00 C ATOM 750 CD2 TYR A 49 -9.209 1.834 3.568 1.00 0.00 C ATOM 751 CE1 TYR A 49 -9.247 3.528 5.700 1.00 0.00 C ATOM 752 CE2 TYR A 49 -9.121 1.316 4.825 1.00 0.00 C ATOM 753 CZ TYR A 49 -9.140 2.171 5.897 1.00 0.00 C ATOM 754 OH TYR A 49 -9.055 1.674 7.169 1.00 0.00 O ATOM 0 H TYR A 49 -11.584 2.890 1.043 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.738 5.260 2.440 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.431 2.799 1.282 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.415 4.156 1.726 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.400 5.085 4.258 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.197 1.160 2.724 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.269 4.201 6.544 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.038 0.250 4.975 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.986 0.697 7.135 1.00 0.00 H new ATOM 764 N ASP A 50 -10.939 6.095 -0.395 1.00 0.00 N ATOM 765 CA ASP A 50 -10.682 7.007 -1.574 1.00 0.00 C ATOM 766 C ASP A 50 -9.280 6.888 -2.142 1.00 0.00 C ATOM 767 O ASP A 50 -8.385 7.699 -1.852 1.00 0.00 O ATOM 768 CB ASP A 50 -11.066 8.473 -1.314 1.00 0.00 C ATOM 769 CG ASP A 50 -11.002 9.320 -2.577 1.00 0.00 C ATOM 770 OD1 ASP A 50 -11.875 9.139 -3.468 1.00 0.00 O ATOM 771 OD2 ASP A 50 -10.097 10.177 -2.725 1.00 0.00 O ATOM 0 H ASP A 50 -11.929 5.870 -0.296 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.360 6.641 -2.346 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.074 8.514 -0.902 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.397 8.894 -0.563 1.00 0.00 H new ATOM 776 N VAL A 51 -9.083 5.831 -2.873 1.00 0.00 N ATOM 777 CA VAL A 51 -7.785 5.455 -3.391 1.00 0.00 C ATOM 778 C VAL A 51 -7.912 4.776 -4.770 1.00 0.00 C ATOM 779 O VAL A 51 -9.018 4.525 -5.255 1.00 0.00 O ATOM 780 CB VAL A 51 -7.102 4.465 -2.394 1.00 0.00 C ATOM 781 CG1 VAL A 51 -6.417 5.175 -1.233 1.00 0.00 C ATOM 782 CG2 VAL A 51 -8.140 3.549 -1.842 1.00 0.00 C ATOM 0 H VAL A 51 -9.830 5.188 -3.136 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.184 6.357 -3.504 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.336 3.922 -2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.960 4.437 -0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.647 5.843 -1.618 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.153 5.754 -0.675 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.676 2.852 -1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.900 4.132 -1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.604 2.992 -2.656 1.00 0.00 H new ATOM 792 N GLN A 52 -6.787 4.473 -5.377 1.00 0.00 N ATOM 793 CA GLN A 52 -6.717 3.751 -6.659 1.00 0.00 C ATOM 794 C GLN A 52 -5.652 2.683 -6.506 1.00 0.00 C ATOM 795 O GLN A 52 -4.547 2.965 -6.153 1.00 0.00 O ATOM 796 CB GLN A 52 -6.449 4.765 -7.809 1.00 0.00 C ATOM 797 CG GLN A 52 -6.080 4.182 -9.174 1.00 0.00 C ATOM 798 CD GLN A 52 -4.579 3.982 -9.345 1.00 0.00 C ATOM 799 OE1 GLN A 52 -4.130 3.075 -10.044 1.00 0.00 O ATOM 800 NE2 GLN A 52 -3.804 4.853 -8.743 1.00 0.00 N ATOM 0 H GLN A 52 -5.872 4.719 -5.000 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.652 3.257 -6.922 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.340 5.381 -7.933 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.644 5.429 -7.495 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.586 3.226 -9.304 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.445 4.845 -9.958 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.214 5.591 -8.171 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.791 4.792 -8.847 1.00 0.00 H new ATOM 809 N ARG A 53 -6.018 1.445 -6.682 1.00 0.00 N ATOM 810 CA ARG A 53 -5.124 0.354 -6.340 1.00 0.00 C ATOM 811 C ARG A 53 -5.166 -0.647 -7.450 1.00 0.00 C ATOM 812 O ARG A 53 -6.241 -1.049 -7.879 1.00 0.00 O ATOM 813 CB ARG A 53 -5.501 -0.307 -4.995 1.00 0.00 C ATOM 814 CG ARG A 53 -5.829 0.651 -3.833 1.00 0.00 C ATOM 815 CD ARG A 53 -7.177 1.262 -4.010 1.00 0.00 C ATOM 816 NE ARG A 53 -8.262 0.283 -4.244 1.00 0.00 N ATOM 817 CZ ARG A 53 -9.388 0.546 -4.964 1.00 0.00 C ATOM 818 NH1 ARG A 53 -9.632 1.771 -5.409 1.00 0.00 N ATOM 819 NH2 ARG A 53 -10.274 -0.414 -5.190 1.00 0.00 N ATOM 0 H ARG A 53 -6.922 1.158 -7.057 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.115 0.747 -6.218 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.364 -0.952 -5.161 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.677 -0.950 -4.686 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.793 0.109 -2.888 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.074 1.436 -3.779 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.417 1.848 -3.123 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.142 1.956 -4.850 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.160 -0.648 -3.840 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.974 2.525 -5.213 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.478 1.959 -5.947 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.113 -1.353 -4.824 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.116 -0.214 -5.729 1.00 0.00 H new ATOM 833 N PHE A 54 -4.031 -1.055 -7.901 1.00 0.00 N ATOM 834 CA PHE A 54 -3.991 -1.753 -9.199 1.00 0.00 C ATOM 835 C PHE A 54 -3.092 -2.989 -9.210 1.00 0.00 C ATOM 836 O PHE A 54 -2.114 -3.034 -8.481 1.00 0.00 O ATOM 837 CB PHE A 54 -3.569 -0.722 -10.270 1.00 0.00 C ATOM 838 CG PHE A 54 -3.631 -1.171 -11.705 1.00 0.00 C ATOM 839 CD1 PHE A 54 -4.822 -1.610 -12.259 1.00 0.00 C ATOM 840 CD2 PHE A 54 -2.500 -1.132 -12.502 1.00 0.00 C ATOM 841 CE1 PHE A 54 -4.887 -2.005 -13.580 1.00 0.00 C ATOM 842 CE2 PHE A 54 -2.558 -1.523 -13.829 1.00 0.00 C ATOM 843 CZ PHE A 54 -3.753 -1.962 -14.365 1.00 0.00 C ATOM 0 H PHE A 54 -3.132 -0.938 -7.433 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.984 -2.148 -9.413 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -4.202 0.159 -10.162 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.547 -0.408 -10.056 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -5.712 -1.644 -11.649 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.563 -0.793 -12.085 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.822 -2.347 -13.998 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.671 -1.485 -14.444 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.800 -2.272 -15.399 1.00 0.00 H new ATOM 853 N ILE A 55 -3.460 -3.989 -10.021 1.00 0.00 N ATOM 854 CA ILE A 55 -2.620 -5.154 -10.306 1.00 0.00 C ATOM 855 C ILE A 55 -1.616 -4.722 -11.361 1.00 0.00 C ATOM 856 O ILE A 55 -2.010 -4.294 -12.440 1.00 0.00 O ATOM 857 CB ILE A 55 -3.440 -6.321 -10.927 1.00 0.00 C ATOM 858 CG1 ILE A 55 -4.599 -6.733 -10.030 1.00 0.00 C ATOM 859 CG2 ILE A 55 -2.533 -7.522 -11.210 1.00 0.00 C ATOM 860 CD1 ILE A 55 -5.517 -7.762 -10.663 1.00 0.00 C ATOM 0 H ILE A 55 -4.359 -4.010 -10.502 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.165 -5.495 -9.376 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.859 -5.964 -11.868 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.202 -7.136 -9.098 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.181 -5.848 -9.772 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.123 -8.329 -11.644 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.749 -7.229 -11.908 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.080 -7.864 -10.279 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.320 -8.009 -9.969 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.943 -7.355 -11.580 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.949 -8.662 -10.896 1.00 0.00 H new ATOM 872 N VAL A 56 -0.356 -4.856 -11.089 1.00 0.00 N ATOM 873 CA VAL A 56 0.642 -4.355 -12.008 1.00 0.00 C ATOM 874 C VAL A 56 1.642 -5.450 -12.257 1.00 0.00 C ATOM 875 O VAL A 56 2.246 -5.545 -13.327 1.00 0.00 O ATOM 876 CB VAL A 56 1.414 -3.118 -11.449 1.00 0.00 C ATOM 877 CG1 VAL A 56 1.932 -2.239 -12.584 1.00 0.00 C ATOM 878 CG2 VAL A 56 0.588 -2.316 -10.448 1.00 0.00 C ATOM 0 H VAL A 56 0.013 -5.302 -10.249 1.00 0.00 H new ATOM 0 HA VAL A 56 0.127 -4.045 -12.917 1.00 0.00 H new ATOM 0 HB VAL A 56 2.274 -3.500 -10.899 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.466 -1.385 -12.168 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.608 -2.818 -13.213 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.093 -1.886 -13.183 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.172 -1.468 -10.091 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.319 -1.954 -10.932 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.320 -2.952 -9.605 1.00 0.00 H new ATOM 888 N GLY A 57 1.805 -6.293 -11.270 1.00 0.00 N ATOM 889 CA GLY A 57 2.759 -7.343 -11.391 1.00 0.00 C ATOM 890 C GLY A 57 2.181 -8.664 -11.011 1.00 0.00 C ATOM 891 O GLY A 57 1.256 -8.730 -10.208 1.00 0.00 O ATOM 0 H GLY A 57 1.293 -6.267 -10.388 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.122 -7.387 -12.418 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.619 -7.127 -10.757 1.00 0.00 H new ATOM 895 N SER A 58 2.708 -9.709 -11.562 1.00 0.00 N ATOM 896 CA SER A 58 2.248 -11.017 -11.239 1.00 0.00 C ATOM 897 C SER A 58 2.947 -11.535 -9.986 1.00 0.00 C ATOM 898 O SER A 58 3.954 -12.238 -10.066 1.00 0.00 O ATOM 899 CB SER A 58 2.393 -11.960 -12.429 1.00 0.00 C ATOM 900 OG SER A 58 1.635 -11.470 -13.540 1.00 0.00 O ATOM 0 H SER A 58 3.465 -9.679 -12.245 1.00 0.00 H new ATOM 0 HA SER A 58 1.183 -10.970 -11.013 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.443 -12.049 -12.706 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.050 -12.958 -12.156 1.00 0.00 H new ATOM 0 HG SER A 58 1.736 -12.081 -14.300 1.00 0.00 H new ATOM 906 N ASP A 59 2.400 -11.098 -8.848 1.00 0.00 N ATOM 907 CA ASP A 59 2.745 -11.368 -7.535 1.00 0.00 C ATOM 908 C ASP A 59 2.125 -10.189 -6.812 1.00 0.00 C ATOM 909 O ASP A 59 1.517 -10.360 -5.772 1.00 0.00 O ATOM 910 CB ASP A 59 4.277 -11.473 -7.223 1.00 0.00 C ATOM 911 CG ASP A 59 4.969 -10.163 -6.857 1.00 0.00 C ATOM 912 OD1 ASP A 59 5.419 -9.424 -7.767 1.00 0.00 O ATOM 913 OD2 ASP A 59 5.127 -9.889 -5.663 1.00 0.00 O ATOM 0 H ASP A 59 1.601 -10.465 -8.883 1.00 0.00 H new ATOM 0 HA ASP A 59 2.396 -12.357 -7.238 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.414 -12.177 -6.402 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.778 -11.897 -8.093 1.00 0.00 H new ATOM 918 N ARG A 60 2.080 -8.985 -7.508 1.00 0.00 N ATOM 919 CA ARG A 60 1.748 -7.747 -6.806 1.00 0.00 C ATOM 920 C ARG A 60 0.946 -6.570 -7.414 1.00 0.00 C ATOM 921 O ARG A 60 0.537 -6.553 -8.588 1.00 0.00 O ATOM 922 CB ARG A 60 2.805 -7.286 -5.968 1.00 0.00 C ATOM 923 CG ARG A 60 2.634 -7.751 -4.528 1.00 0.00 C ATOM 924 CD ARG A 60 1.249 -7.414 -3.973 1.00 0.00 C ATOM 925 NE ARG A 60 0.342 -8.504 -4.315 1.00 0.00 N ATOM 926 CZ ARG A 60 -0.946 -8.447 -4.497 1.00 0.00 C ATOM 927 NH1 ARG A 60 -1.633 -7.392 -4.123 1.00 0.00 N ATOM 928 NH2 ARG A 60 -1.554 -9.490 -5.035 1.00 0.00 N ATOM 0 H ARG A 60 2.265 -8.882 -8.506 1.00 0.00 H new ATOM 0 HA ARG A 60 0.906 -8.188 -6.273 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.758 -7.647 -6.355 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.841 -6.197 -5.996 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.793 -8.828 -4.474 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.397 -7.285 -3.904 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.295 -7.283 -2.892 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.890 -6.475 -4.393 1.00 0.00 H new ATOM 0 HE ARG A 60 0.769 -9.424 -4.425 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.158 -6.603 -3.684 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.642 -7.361 -4.272 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.015 -10.315 -5.297 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.562 -9.470 -5.188 1.00 0.00 H new ATOM 942 N ALA A 61 0.787 -5.523 -6.526 1.00 0.00 N ATOM 943 CA ALA A 61 -0.244 -4.493 -6.657 1.00 0.00 C ATOM 944 C ALA A 61 0.181 -3.217 -6.030 1.00 0.00 C ATOM 945 O ALA A 61 1.255 -3.143 -5.440 1.00 0.00 O ATOM 946 CB ALA A 61 -1.536 -4.943 -6.006 1.00 0.00 C ATOM 0 H ALA A 61 1.385 -5.395 -5.709 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.401 -4.333 -7.724 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.289 -4.163 -6.115 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.887 -5.856 -6.487 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.362 -5.135 -4.947 1.00 0.00 H new ATOM 952 N ILE A 62 -0.601 -2.190 -6.224 1.00 0.00 N ATOM 953 CA ILE A 62 -0.330 -0.947 -5.603 1.00 0.00 C ATOM 954 C ILE A 62 -1.487 -0.578 -4.831 1.00 0.00 C ATOM 955 O ILE A 62 -2.636 -1.050 -5.140 1.00 0.00 O ATOM 956 CB ILE A 62 -0.188 0.233 -6.575 1.00 0.00 C ATOM 957 CG1 ILE A 62 -1.539 0.589 -7.217 1.00 0.00 C ATOM 958 CG2 ILE A 62 0.850 -0.013 -7.588 1.00 0.00 C ATOM 959 CD1 ILE A 62 -1.430 1.668 -8.259 1.00 0.00 C ATOM 0 H ILE A 62 -1.433 -2.202 -6.813 1.00 0.00 H new ATOM 0 HA ILE A 62 0.599 -1.098 -5.053 1.00 0.00 H new ATOM 0 HB ILE A 62 0.138 1.096 -5.995 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.966 -0.305 -7.672 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.231 0.912 -6.439 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.918 0.846 -8.255 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.810 -0.167 -7.095 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.592 -0.901 -8.165 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.417 1.874 -8.674 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.032 2.575 -7.804 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.763 1.339 -9.055 1.00 0.00 H new ATOM 971 N PHE A 63 -1.236 0.266 -3.900 1.00 0.00 N ATOM 972 CA PHE A 63 -2.269 1.027 -3.337 1.00 0.00 C ATOM 973 C PHE A 63 -1.863 2.472 -3.524 1.00 0.00 C ATOM 974 O PHE A 63 -0.746 2.832 -3.298 1.00 0.00 O ATOM 975 CB PHE A 63 -2.762 0.609 -1.877 1.00 0.00 C ATOM 976 CG PHE A 63 -1.806 0.679 -0.693 1.00 0.00 C ATOM 977 CD1 PHE A 63 -0.677 -0.139 -0.623 1.00 0.00 C ATOM 978 CD2 PHE A 63 -2.066 1.541 0.400 1.00 0.00 C ATOM 979 CE1 PHE A 63 0.165 -0.087 0.495 1.00 0.00 C ATOM 980 CE2 PHE A 63 -1.218 1.571 1.473 1.00 0.00 C ATOM 981 CZ PHE A 63 -0.111 0.769 1.519 1.00 0.00 C ATOM 0 H PHE A 63 -0.309 0.443 -3.513 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.204 0.825 -3.859 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.621 1.235 -1.635 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.123 -0.418 -1.940 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.452 -0.815 -1.435 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.938 2.178 0.386 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.034 -0.726 0.546 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.426 2.238 2.296 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.549 0.814 2.373 1.00 0.00 H new ATOM 991 N MET A 64 -2.665 3.203 -4.189 1.00 0.00 N ATOM 992 CA MET A 64 -2.386 4.642 -4.344 1.00 0.00 C ATOM 993 C MET A 64 -3.315 5.431 -3.466 1.00 0.00 C ATOM 994 O MET A 64 -4.527 5.358 -3.650 1.00 0.00 O ATOM 995 CB MET A 64 -2.475 5.067 -5.836 1.00 0.00 C ATOM 996 CG MET A 64 -2.304 6.560 -6.146 1.00 0.00 C ATOM 997 SD MET A 64 -3.747 7.582 -5.728 1.00 0.00 S ATOM 998 CE MET A 64 -3.103 9.220 -6.040 1.00 0.00 C ATOM 0 H MET A 64 -3.517 2.873 -4.643 1.00 0.00 H new ATOM 0 HA MET A 64 -1.365 4.852 -4.025 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.715 4.517 -6.391 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.444 4.750 -6.221 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.438 6.935 -5.601 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.087 6.676 -7.208 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.709 9.956 -5.512 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.073 9.279 -5.689 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.134 9.425 -7.110 1.00 0.00 H new ATOM 1008 N LEU A 65 -2.754 6.163 -2.501 1.00 0.00 N ATOM 1009 CA LEU A 65 -3.559 6.927 -1.563 1.00 0.00 C ATOM 1010 C LEU A 65 -3.574 8.372 -1.819 1.00 0.00 C ATOM 1011 O LEU A 65 -2.571 8.989 -2.249 1.00 0.00 O ATOM 1012 CB LEU A 65 -3.300 6.715 -0.092 1.00 0.00 C ATOM 1013 CG LEU A 65 -2.101 7.420 0.527 1.00 0.00 C ATOM 1014 CD1 LEU A 65 -2.202 7.369 1.971 1.00 0.00 C ATOM 1015 CD2 LEU A 65 -0.836 6.814 0.097 1.00 0.00 C ATOM 0 H LEU A 65 -1.748 6.239 -2.354 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.536 6.492 -1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.191 7.028 0.453 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.183 5.645 0.076 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.107 8.456 0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.343 7.874 2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.119 7.865 2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.220 6.329 2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.003 7.344 0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.813 5.767 0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.751 6.880 -0.988 1.00 0.00 H new ATOM 1027 N ARG A 66 -4.688 8.900 -1.475 1.00 0.00 N ATOM 1028 CA ARG A 66 -5.016 10.290 -1.725 1.00 0.00 C ATOM 1029 C ARG A 66 -5.145 11.179 -0.459 1.00 0.00 C ATOM 1030 O ARG A 66 -4.468 12.203 -0.409 1.00 0.00 O ATOM 1031 CB ARG A 66 -6.160 10.455 -2.737 1.00 0.00 C ATOM 1032 CG ARG A 66 -6.525 11.896 -3.057 1.00 0.00 C ATOM 1033 CD ARG A 66 -7.600 11.943 -4.117 1.00 0.00 C ATOM 1034 NE ARG A 66 -7.170 11.264 -5.352 1.00 0.00 N ATOM 1035 CZ ARG A 66 -7.791 10.194 -5.879 1.00 0.00 C ATOM 1036 NH1 ARG A 66 -8.823 9.643 -5.229 1.00 0.00 N ATOM 1037 NH2 ARG A 66 -7.350 9.652 -7.017 1.00 0.00 N ATOM 0 H ARG A 66 -5.428 8.383 -1.000 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.130 10.700 -2.210 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.883 9.951 -3.663 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.044 9.948 -2.350 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.873 12.399 -2.155 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.642 12.434 -3.401 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.507 11.472 -3.738 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.849 12.981 -4.339 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.350 11.628 -5.837 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.134 10.035 -4.340 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.299 8.831 -5.623 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.539 10.050 -7.490 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.824 8.840 -7.413 1.00 0.00 H new ATOM 1051 N ASP A 67 -6.013 10.835 0.554 1.00 0.00 N ATOM 1052 CA ASP A 67 -6.078 11.623 1.843 1.00 0.00 C ATOM 1053 C ASP A 67 -4.675 11.995 2.471 1.00 0.00 C ATOM 1054 O ASP A 67 -4.581 12.951 3.221 1.00 0.00 O ATOM 1055 CB ASP A 67 -6.909 10.871 2.911 1.00 0.00 C ATOM 1056 CG ASP A 67 -7.272 11.717 4.113 1.00 0.00 C ATOM 1057 OD1 ASP A 67 -8.355 12.359 4.096 1.00 0.00 O ATOM 1058 OD2 ASP A 67 -6.518 11.742 5.100 1.00 0.00 O ATOM 0 H ASP A 67 -6.657 10.045 0.509 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.556 12.560 1.558 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.825 10.500 2.450 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.347 10.000 3.248 1.00 0.00 H new ATOM 1063 N GLY A 68 -3.584 11.275 2.123 1.00 0.00 N ATOM 1064 CA GLY A 68 -2.313 11.506 2.728 1.00 0.00 C ATOM 1065 C GLY A 68 -2.104 10.753 4.034 1.00 0.00 C ATOM 1066 O GLY A 68 -1.002 10.265 4.291 1.00 0.00 O ATOM 0 H GLY A 68 -3.589 10.534 1.422 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.530 11.219 2.026 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.199 12.574 2.914 1.00 0.00 H new ATOM 1070 N SER A 69 -3.158 10.540 4.778 1.00 0.00 N ATOM 1071 CA SER A 69 -3.019 10.087 6.161 1.00 0.00 C ATOM 1072 C SER A 69 -3.725 8.715 6.465 1.00 0.00 C ATOM 1073 O SER A 69 -4.741 8.711 7.176 1.00 0.00 O ATOM 1074 CB SER A 69 -3.629 11.175 7.061 1.00 0.00 C ATOM 1075 OG SER A 69 -3.025 12.445 6.800 1.00 0.00 O ATOM 0 H SER A 69 -4.120 10.668 4.464 1.00 0.00 H new ATOM 0 HA SER A 69 -1.958 9.924 6.350 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.704 11.236 6.889 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.488 10.908 8.108 1.00 0.00 H new ATOM 0 HG SER A 69 -3.427 13.124 7.381 1.00 0.00 H new ATOM 1081 N TYR A 70 -3.210 7.556 5.918 1.00 0.00 N ATOM 1082 CA TYR A 70 -3.809 6.227 6.168 1.00 0.00 C ATOM 1083 C TYR A 70 -3.092 5.029 5.472 1.00 0.00 C ATOM 1084 O TYR A 70 -3.519 3.887 5.646 1.00 0.00 O ATOM 1085 CB TYR A 70 -5.348 6.176 5.878 1.00 0.00 C ATOM 1086 CG TYR A 70 -5.875 6.725 4.529 1.00 0.00 C ATOM 1087 CD1 TYR A 70 -5.152 6.657 3.356 1.00 0.00 C ATOM 1088 CD2 TYR A 70 -7.153 7.242 4.449 1.00 0.00 C ATOM 1089 CE1 TYR A 70 -5.675 7.099 2.154 1.00 0.00 C ATOM 1090 CE2 TYR A 70 -7.675 7.690 3.265 1.00 0.00 C ATOM 1091 CZ TYR A 70 -6.933 7.614 2.120 1.00 0.00 C ATOM 1092 OH TYR A 70 -7.445 8.111 0.938 1.00 0.00 O ATOM 0 H TYR A 70 -2.391 7.535 5.311 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.652 6.096 7.239 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.664 5.136 5.956 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.852 6.722 6.675 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.152 6.248 3.377 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.756 7.294 5.343 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.089 7.036 1.249 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.672 8.103 3.236 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.157 7.520 0.616 1.00 0.00 H new ATOM 1102 N ALA A 71 -1.986 5.261 4.749 1.00 0.00 N ATOM 1103 CA ALA A 71 -1.390 4.178 3.929 1.00 0.00 C ATOM 1104 C ALA A 71 -0.432 3.248 4.674 1.00 0.00 C ATOM 1105 O ALA A 71 -0.404 2.063 4.408 1.00 0.00 O ATOM 1106 CB ALA A 71 -0.689 4.722 2.710 1.00 0.00 C ATOM 0 H ALA A 71 -1.495 6.154 4.709 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.251 3.575 3.640 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.266 3.898 2.136 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.403 5.266 2.092 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.110 5.396 3.020 1.00 0.00 H new ATOM 1112 N TRP A 72 0.326 3.757 5.620 1.00 0.00 N ATOM 1113 CA TRP A 72 1.332 2.925 6.286 1.00 0.00 C ATOM 1114 C TRP A 72 0.654 1.915 7.223 1.00 0.00 C ATOM 1115 O TRP A 72 1.130 0.763 7.432 1.00 0.00 O ATOM 1116 CB TRP A 72 2.479 3.783 6.931 1.00 0.00 C ATOM 1117 CG TRP A 72 3.471 4.301 5.884 1.00 0.00 C ATOM 1118 CD1 TRP A 72 4.713 3.795 5.621 1.00 0.00 C ATOM 1119 CD2 TRP A 72 3.277 5.381 4.939 1.00 0.00 C ATOM 1120 NE1 TRP A 72 5.297 4.469 4.571 1.00 0.00 N ATOM 1121 CE2 TRP A 72 4.417 5.437 4.110 1.00 0.00 C ATOM 1122 CE3 TRP A 72 2.254 6.285 4.707 1.00 0.00 C ATOM 1123 CZ2 TRP A 72 4.510 6.379 3.037 1.00 0.00 C ATOM 1124 CZ3 TRP A 72 2.373 7.190 3.688 1.00 0.00 C ATOM 1125 CH2 TRP A 72 3.483 7.211 2.866 1.00 0.00 C ATOM 0 H TRP A 72 0.276 4.722 5.948 1.00 0.00 H new ATOM 0 HA TRP A 72 1.855 2.325 5.541 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.043 4.627 7.465 1.00 0.00 H new ATOM 0 HB3 TRP A 72 3.011 3.181 7.667 1.00 0.00 H new ATOM 0 HD1 TRP A 72 5.173 2.980 6.161 1.00 0.00 H new ATOM 0 HE1 TRP A 72 6.227 4.286 4.193 1.00 0.00 H new ATOM 0 HE3 TRP A 72 1.369 6.276 5.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 5.376 6.414 2.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.581 7.905 3.522 1.00 0.00 H new ATOM 0 HH2 TRP A 72 3.520 7.926 2.057 1.00 0.00 H new ATOM 1136 N GLU A 73 -0.500 2.315 7.708 1.00 0.00 N ATOM 1137 CA GLU A 73 -1.357 1.438 8.458 1.00 0.00 C ATOM 1138 C GLU A 73 -1.924 0.362 7.497 1.00 0.00 C ATOM 1139 O GLU A 73 -1.937 -0.854 7.821 1.00 0.00 O ATOM 1140 CB GLU A 73 -2.481 2.245 9.089 1.00 0.00 C ATOM 1141 CG GLU A 73 -3.433 1.423 9.913 1.00 0.00 C ATOM 1142 CD GLU A 73 -4.550 2.236 10.475 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -5.412 2.693 9.703 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -4.592 2.435 11.709 1.00 0.00 O ATOM 0 H GLU A 73 -0.867 3.259 7.591 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.799 0.948 9.256 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.048 3.022 9.719 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.040 2.749 8.301 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.844 0.623 9.297 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.887 0.949 10.728 1.00 0.00 H new ATOM 1151 N ILE A 74 -2.345 0.815 6.285 1.00 0.00 N ATOM 1152 CA ILE A 74 -2.834 -0.102 5.264 1.00 0.00 C ATOM 1153 C ILE A 74 -1.731 -1.188 4.948 1.00 0.00 C ATOM 1154 O ILE A 74 -2.016 -2.419 4.856 1.00 0.00 O ATOM 1155 CB ILE A 74 -3.289 0.602 3.904 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -4.562 1.444 4.004 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -3.558 -0.462 2.952 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -4.878 2.288 2.782 1.00 0.00 C ATOM 0 H ILE A 74 -2.349 1.797 6.011 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.730 -0.560 5.683 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.487 1.283 3.618 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.404 0.779 4.194 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.475 2.103 4.868 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.874 -0.030 2.003 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.654 -1.051 2.800 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.349 -1.105 3.339 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.798 2.846 2.953 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.060 2.985 2.599 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.003 1.640 1.915 1.00 0.00 H new ATOM 1170 N LYS A 75 -0.481 -0.710 4.861 1.00 0.00 N ATOM 1171 CA LYS A 75 0.693 -1.511 4.572 1.00 0.00 C ATOM 1172 C LYS A 75 0.810 -2.626 5.583 1.00 0.00 C ATOM 1173 O LYS A 75 0.909 -3.850 5.214 1.00 0.00 O ATOM 1174 CB LYS A 75 1.917 -0.575 4.639 1.00 0.00 C ATOM 1175 CG LYS A 75 3.283 -1.236 4.633 1.00 0.00 C ATOM 1176 CD LYS A 75 4.377 -0.176 4.660 1.00 0.00 C ATOM 1177 CE LYS A 75 5.777 -0.781 4.701 1.00 0.00 C ATOM 1178 NZ LYS A 75 6.051 -1.488 5.962 1.00 0.00 N ATOM 0 H LYS A 75 -0.264 0.278 4.996 1.00 0.00 H new ATOM 0 HA LYS A 75 0.626 -1.966 3.584 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.867 0.111 3.793 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.835 0.028 5.543 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.381 -1.893 5.497 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.391 -1.858 3.745 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.285 0.459 3.779 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.236 0.465 5.531 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.894 -1.474 3.868 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.515 0.010 4.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.047 -1.349 6.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.436 -1.112 6.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.864 -2.504 5.838 1.00 0.00 H new ATOM 1192 N ASP A 76 0.743 -2.217 6.852 1.00 0.00 N ATOM 1193 CA ASP A 76 0.835 -3.144 7.960 1.00 0.00 C ATOM 1194 C ASP A 76 -0.206 -4.243 7.838 1.00 0.00 C ATOM 1195 O ASP A 76 0.149 -5.450 7.954 1.00 0.00 O ATOM 1196 CB ASP A 76 0.689 -2.430 9.297 1.00 0.00 C ATOM 1197 CG ASP A 76 0.928 -3.349 10.471 1.00 0.00 C ATOM 1198 OD1 ASP A 76 2.111 -3.567 10.835 1.00 0.00 O ATOM 1199 OD2 ASP A 76 -0.040 -3.848 11.079 1.00 0.00 O ATOM 0 H ASP A 76 0.625 -1.242 7.129 1.00 0.00 H new ATOM 0 HA ASP A 76 1.826 -3.596 7.922 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.393 -1.599 9.341 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.312 -2.004 9.371 1.00 0.00 H new ATOM 1204 N PHE A 77 -1.482 -3.849 7.552 1.00 0.00 N ATOM 1205 CA PHE A 77 -2.561 -4.850 7.410 1.00 0.00 C ATOM 1206 C PHE A 77 -2.144 -5.899 6.393 1.00 0.00 C ATOM 1207 O PHE A 77 -2.000 -7.069 6.706 1.00 0.00 O ATOM 1208 CB PHE A 77 -3.901 -4.292 6.863 1.00 0.00 C ATOM 1209 CG PHE A 77 -4.511 -3.084 7.498 1.00 0.00 C ATOM 1210 CD1 PHE A 77 -4.443 -2.873 8.860 1.00 0.00 C ATOM 1211 CD2 PHE A 77 -5.213 -2.166 6.701 1.00 0.00 C ATOM 1212 CE1 PHE A 77 -5.051 -1.776 9.429 1.00 0.00 C ATOM 1213 CE2 PHE A 77 -5.815 -1.066 7.272 1.00 0.00 C ATOM 1214 CZ PHE A 77 -5.733 -0.872 8.636 1.00 0.00 C ATOM 0 H PHE A 77 -1.773 -2.880 7.421 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.714 -5.228 8.421 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.754 -4.066 5.807 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.636 -5.095 6.918 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.909 -3.574 9.485 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -5.282 -2.323 5.635 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.995 -1.622 10.496 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.349 -0.359 6.655 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.204 -0.010 9.086 1.00 0.00 H new ATOM 1224 N LEU A 78 -1.885 -5.444 5.194 1.00 0.00 N ATOM 1225 CA LEU A 78 -1.631 -6.334 4.061 1.00 0.00 C ATOM 1226 C LEU A 78 -0.568 -7.353 4.301 1.00 0.00 C ATOM 1227 O LEU A 78 -0.795 -8.622 4.134 1.00 0.00 O ATOM 1228 CB LEU A 78 -1.252 -5.554 2.870 1.00 0.00 C ATOM 1229 CG LEU A 78 -2.267 -4.605 2.364 1.00 0.00 C ATOM 1230 CD1 LEU A 78 -1.832 -4.266 1.005 1.00 0.00 C ATOM 1231 CD2 LEU A 78 -3.614 -5.251 2.336 1.00 0.00 C ATOM 0 H LEU A 78 -1.841 -4.451 4.963 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.569 -6.870 3.912 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.345 -4.996 3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.003 -6.250 2.069 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.352 -3.721 2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.537 -3.563 0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.842 -3.811 1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.793 -5.171 0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.351 -4.540 1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.586 -6.123 1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.890 -5.562 3.344 1.00 0.00 H new ATOM 1243 N VAL A 79 0.576 -6.878 4.714 1.00 0.00 N ATOM 1244 CA VAL A 79 1.646 -7.783 4.910 1.00 0.00 C ATOM 1245 C VAL A 79 1.502 -8.598 6.175 1.00 0.00 C ATOM 1246 O VAL A 79 2.238 -9.553 6.399 1.00 0.00 O ATOM 1247 CB VAL A 79 3.025 -7.178 4.677 1.00 0.00 C ATOM 1248 CG1 VAL A 79 3.134 -6.825 3.194 1.00 0.00 C ATOM 1249 CG2 VAL A 79 3.256 -5.957 5.551 1.00 0.00 C ATOM 0 H VAL A 79 0.777 -5.898 4.913 1.00 0.00 H new ATOM 0 HA VAL A 79 1.567 -8.516 4.107 1.00 0.00 H new ATOM 0 HB VAL A 79 3.795 -7.899 4.951 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.113 -6.389 2.995 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.010 -7.727 2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.357 -6.107 2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.250 -5.553 5.357 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.506 -5.200 5.324 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.178 -6.241 6.601 1.00 0.00 H new ATOM 1259 N SER A 80 0.536 -8.227 6.993 1.00 0.00 N ATOM 1260 CA SER A 80 0.118 -9.067 8.069 1.00 0.00 C ATOM 1261 C SER A 80 -1.190 -9.824 7.666 1.00 0.00 C ATOM 1262 O SER A 80 -1.750 -10.581 8.476 1.00 0.00 O ATOM 1263 CB SER A 80 -0.132 -8.232 9.328 1.00 0.00 C ATOM 1264 OG SER A 80 1.000 -7.406 9.628 1.00 0.00 O ATOM 0 H SER A 80 0.032 -7.343 6.922 1.00 0.00 H new ATOM 0 HA SER A 80 0.905 -9.791 8.280 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.015 -7.608 9.186 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.340 -8.891 10.171 1.00 0.00 H new ATOM 0 HG SER A 80 0.941 -6.572 9.117 1.00 0.00 H new ATOM 1270 N GLN A 81 -1.697 -9.635 6.407 1.00 0.00 N ATOM 1271 CA GLN A 81 -2.931 -10.282 6.050 1.00 0.00 C ATOM 1272 C GLN A 81 -2.649 -11.567 5.467 1.00 0.00 C ATOM 1273 O GLN A 81 -3.319 -12.564 5.784 1.00 0.00 O ATOM 1274 CB GLN A 81 -3.835 -9.445 5.136 1.00 0.00 C ATOM 1275 CG GLN A 81 -4.581 -8.360 5.875 1.00 0.00 C ATOM 1276 CD GLN A 81 -5.442 -8.931 6.982 1.00 0.00 C ATOM 1277 OE1 GLN A 81 -5.955 -10.050 6.874 1.00 0.00 O ATOM 1278 NE2 GLN A 81 -5.552 -8.223 8.063 1.00 0.00 N ATOM 0 H GLN A 81 -1.270 -9.063 5.678 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.500 -10.407 6.971 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.229 -8.992 4.352 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.553 -10.102 4.645 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.869 -7.650 6.296 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.207 -7.806 5.175 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -5.115 -7.303 8.117 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -6.075 -8.586 8.860 1.00 0.00 H new ATOM 1287 N ASP A 82 -1.636 -11.596 4.650 1.00 0.00 N ATOM 1288 CA ASP A 82 -1.276 -12.866 4.057 1.00 0.00 C ATOM 1289 C ASP A 82 0.185 -12.989 3.597 1.00 0.00 C ATOM 1290 O ASP A 82 1.031 -13.352 4.421 1.00 0.00 O ATOM 1291 CB ASP A 82 -2.369 -13.441 3.102 1.00 0.00 C ATOM 1292 CG ASP A 82 -2.028 -14.784 2.558 1.00 0.00 C ATOM 1293 OD1 ASP A 82 -2.037 -15.768 3.338 1.00 0.00 O ATOM 1294 OD2 ASP A 82 -1.820 -14.904 1.360 1.00 0.00 O ATOM 0 H ASP A 82 -1.062 -10.797 4.383 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.279 -13.575 4.885 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.315 -13.504 3.640 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -2.519 -12.748 2.274 1.00 0.00 H new ATOM 1299 N ARG A 83 0.538 -12.658 2.358 1.00 0.00 N ATOM 1300 CA ARG A 83 1.906 -12.793 1.949 1.00 0.00 C ATOM 1301 C ARG A 83 2.592 -11.452 1.946 1.00 0.00 C ATOM 1302 O ARG A 83 1.982 -10.434 1.625 1.00 0.00 O ATOM 1303 CB ARG A 83 2.002 -13.496 0.610 1.00 0.00 C ATOM 1304 CG ARG A 83 1.546 -14.945 0.665 1.00 0.00 C ATOM 1305 CD ARG A 83 2.366 -15.721 1.680 1.00 0.00 C ATOM 1306 NE ARG A 83 1.965 -17.115 1.786 1.00 0.00 N ATOM 1307 CZ ARG A 83 2.118 -17.881 2.867 1.00 0.00 C ATOM 1308 NH1 ARG A 83 2.656 -17.380 3.979 1.00 0.00 N ATOM 1309 NH2 ARG A 83 1.716 -19.148 2.841 1.00 0.00 N ATOM 0 H ARG A 83 -0.098 -12.303 1.644 1.00 0.00 H new ATOM 0 HA ARG A 83 2.429 -13.419 2.671 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.397 -12.958 -0.120 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.033 -13.459 0.260 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.490 -14.990 0.930 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.647 -15.402 -0.319 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.419 -15.671 1.403 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.271 -15.246 2.656 1.00 0.00 H new ATOM 0 HE ARG A 83 1.532 -17.541 0.967 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.954 -16.405 4.007 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.770 -17.972 4.802 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.292 -19.531 1.996 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.831 -19.737 3.666 1.00 0.00 H new ATOM 1323 N CYS A 84 3.844 -11.448 2.308 1.00 0.00 N ATOM 1324 CA CYS A 84 4.568 -10.230 2.508 1.00 0.00 C ATOM 1325 C CYS A 84 5.999 -10.345 1.980 1.00 0.00 C ATOM 1326 O CYS A 84 6.665 -11.358 2.206 1.00 0.00 O ATOM 1327 CB CYS A 84 4.553 -9.961 4.008 1.00 0.00 C ATOM 1328 SG CYS A 84 5.108 -11.364 5.007 1.00 0.00 S ATOM 0 H CYS A 84 4.391 -12.293 2.473 1.00 0.00 H new ATOM 0 HA CYS A 84 4.108 -9.408 1.960 1.00 0.00 H new ATOM 0 HB2 CYS A 84 5.189 -9.102 4.220 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.541 -9.690 4.309 1.00 0.00 H new ATOM 0 HG CYS A 84 6.020 -12.025 4.358 1.00 0.00 H new ATOM 1334 N ALA A 85 6.470 -9.326 1.271 1.00 0.00 N ATOM 1335 CA ALA A 85 7.814 -9.331 0.730 1.00 0.00 C ATOM 1336 C ALA A 85 8.395 -7.926 0.626 1.00 0.00 C ATOM 1337 O ALA A 85 9.489 -7.685 1.128 1.00 0.00 O ATOM 1338 CB ALA A 85 7.906 -10.078 -0.620 1.00 0.00 C ATOM 0 H ALA A 85 5.934 -8.484 1.059 1.00 0.00 H new ATOM 0 HA ALA A 85 8.425 -9.885 1.443 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.934 -10.052 -0.981 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.595 -11.114 -0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.253 -9.596 -1.348 1.00 0.00 H new ATOM 1344 N GLU A 86 7.680 -6.989 0.006 1.00 0.00 N ATOM 1345 CA GLU A 86 8.245 -5.684 -0.230 1.00 0.00 C ATOM 1346 C GLU A 86 7.155 -4.650 -0.352 1.00 0.00 C ATOM 1347 O GLU A 86 6.358 -4.731 -1.220 1.00 0.00 O ATOM 1348 CB GLU A 86 9.047 -5.734 -1.527 1.00 0.00 C ATOM 1349 CG GLU A 86 9.602 -4.415 -1.998 1.00 0.00 C ATOM 1350 CD GLU A 86 10.259 -4.547 -3.335 1.00 0.00 C ATOM 1351 OE1 GLU A 86 11.467 -4.830 -3.374 1.00 0.00 O ATOM 1352 OE2 GLU A 86 9.577 -4.380 -4.377 1.00 0.00 O ATOM 0 H GLU A 86 6.726 -7.115 -0.333 1.00 0.00 H new ATOM 0 HA GLU A 86 8.888 -5.409 0.606 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.875 -6.430 -1.395 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.410 -6.141 -2.312 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.799 -3.680 -2.056 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.324 -4.042 -1.271 1.00 0.00 H new ATOM 1359 N VAL A 87 7.098 -3.720 0.508 1.00 0.00 N ATOM 1360 CA VAL A 87 6.167 -2.643 0.316 1.00 0.00 C ATOM 1361 C VAL A 87 6.983 -1.411 0.027 1.00 0.00 C ATOM 1362 O VAL A 87 7.595 -0.864 0.937 1.00 0.00 O ATOM 1363 CB VAL A 87 5.281 -2.378 1.574 1.00 0.00 C ATOM 1364 CG1 VAL A 87 4.121 -1.412 1.262 1.00 0.00 C ATOM 1365 CG2 VAL A 87 4.762 -3.674 2.191 1.00 0.00 C ATOM 0 H VAL A 87 7.670 -3.663 1.351 1.00 0.00 H new ATOM 0 HA VAL A 87 5.489 -2.902 -0.497 1.00 0.00 H new ATOM 0 HB VAL A 87 5.923 -1.898 2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.528 -1.253 2.162 1.00 0.00 H new ATOM 0 HG12 VAL A 87 4.524 -0.459 0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.490 -1.840 0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.151 -3.442 3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.160 -4.210 1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.605 -4.296 2.493 1.00 0.00 H new ATOM 1375 N THR A 88 7.079 -0.995 -1.222 1.00 0.00 N ATOM 1376 CA THR A 88 7.821 0.195 -1.466 1.00 0.00 C ATOM 1377 C THR A 88 6.952 1.316 -1.864 1.00 0.00 C ATOM 1378 O THR A 88 6.161 1.255 -2.836 1.00 0.00 O ATOM 1379 CB THR A 88 8.981 0.082 -2.419 1.00 0.00 C ATOM 1380 OG1 THR A 88 8.545 -0.396 -3.712 1.00 0.00 O ATOM 1381 CG2 THR A 88 10.048 -0.814 -1.860 1.00 0.00 C ATOM 0 H THR A 88 6.669 -1.448 -2.039 1.00 0.00 H new ATOM 0 HA THR A 88 8.273 0.394 -0.494 1.00 0.00 H new ATOM 0 HB THR A 88 9.403 1.078 -2.549 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.611 -0.688 -3.655 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.875 -0.880 -2.567 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.409 -0.405 -0.916 1.00 0.00 H new ATOM 0 HG23 THR A 88 9.636 -1.809 -1.691 1.00 0.00 H new ATOM 1389 N LEU A 89 7.110 2.323 -1.132 1.00 0.00 N ATOM 1390 CA LEU A 89 6.361 3.465 -1.250 1.00 0.00 C ATOM 1391 C LEU A 89 7.241 4.530 -1.876 1.00 0.00 C ATOM 1392 O LEU A 89 8.461 4.444 -1.831 1.00 0.00 O ATOM 1393 CB LEU A 89 5.773 3.824 0.144 1.00 0.00 C ATOM 1394 CG LEU A 89 4.903 2.684 0.815 1.00 0.00 C ATOM 1395 CD1 LEU A 89 5.716 1.599 1.468 1.00 0.00 C ATOM 1396 CD2 LEU A 89 3.806 3.158 1.732 1.00 0.00 C ATOM 0 H LEU A 89 7.810 2.368 -0.391 1.00 0.00 H new ATOM 0 HA LEU A 89 5.499 3.350 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.595 4.076 0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.158 4.718 0.043 1.00 0.00 H new ATOM 0 HG LEU A 89 4.399 2.247 -0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.048 0.856 1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.352 1.122 0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.338 2.032 2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.273 2.298 2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.239 3.734 2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.111 3.785 1.174 1.00 0.00 H new ATOM 1408 N GLU A 90 6.626 5.431 -2.508 1.00 0.00 N ATOM 1409 CA GLU A 90 7.261 6.491 -3.263 1.00 0.00 C ATOM 1410 C GLU A 90 7.698 7.625 -2.304 1.00 0.00 C ATOM 1411 O GLU A 90 7.269 7.669 -1.145 1.00 0.00 O ATOM 1412 CB GLU A 90 6.184 6.981 -4.243 1.00 0.00 C ATOM 1413 CG GLU A 90 6.671 7.431 -5.626 1.00 0.00 C ATOM 1414 CD GLU A 90 7.438 8.727 -5.627 1.00 0.00 C ATOM 1415 OE1 GLU A 90 8.665 8.722 -5.459 1.00 0.00 O ATOM 1416 OE2 GLU A 90 6.815 9.797 -5.819 1.00 0.00 O ATOM 0 H GLU A 90 5.608 5.480 -2.534 1.00 0.00 H new ATOM 0 HA GLU A 90 8.156 6.157 -3.788 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.458 6.180 -4.381 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.655 7.814 -3.780 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.303 6.649 -6.047 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.809 7.533 -6.285 1.00 0.00 H new ATOM 1423 N GLY A 91 8.574 8.479 -2.766 1.00 0.00 N ATOM 1424 CA GLY A 91 9.020 9.596 -2.002 1.00 0.00 C ATOM 1425 C GLY A 91 10.419 10.001 -2.505 1.00 0.00 C ATOM 1426 O GLY A 91 10.968 9.268 -3.337 1.00 0.00 O ATOM 0 H GLY A 91 8.997 8.411 -3.692 1.00 0.00 H new ATOM 0 HA2 GLY A 91 8.324 10.428 -2.105 1.00 0.00 H new ATOM 0 HA3 GLY A 91 9.057 9.341 -0.943 1.00 0.00 H new ATOM 1430 N GLN A 92 11.027 11.136 -2.060 1.00 0.00 N ATOM 1431 CA GLN A 92 12.360 11.437 -2.500 1.00 0.00 C ATOM 1432 C GLN A 92 13.294 10.766 -1.537 1.00 0.00 C ATOM 1433 O GLN A 92 13.410 11.197 -0.381 1.00 0.00 O ATOM 1434 CB GLN A 92 12.596 12.948 -2.526 1.00 0.00 C ATOM 1435 CG GLN A 92 11.766 13.679 -3.564 1.00 0.00 C ATOM 1436 CD GLN A 92 12.049 15.161 -3.584 1.00 0.00 C ATOM 1437 OE1 GLN A 92 12.951 15.618 -4.281 1.00 0.00 O ATOM 1438 NE2 GLN A 92 11.262 15.926 -2.880 1.00 0.00 N ATOM 0 H GLN A 92 10.610 11.815 -1.422 1.00 0.00 H new ATOM 0 HA GLN A 92 12.525 11.076 -3.515 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.373 13.358 -1.541 1.00 0.00 H new ATOM 0 HB3 GLN A 92 13.652 13.138 -2.719 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.969 13.259 -4.549 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.708 13.516 -3.360 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.523 15.512 -2.312 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.386 16.938 -2.897 1.00 0.00 H new ATOM 1447 N MET A 93 13.951 9.719 -2.015 1.00 0.00 N ATOM 1448 CA MET A 93 14.757 8.827 -1.188 1.00 0.00 C ATOM 1449 C MET A 93 13.882 8.305 -0.060 1.00 0.00 C ATOM 1450 O MET A 93 13.913 8.813 1.062 1.00 0.00 O ATOM 1451 CB MET A 93 16.040 9.486 -0.642 1.00 0.00 C ATOM 1452 CG MET A 93 16.928 8.528 0.147 1.00 0.00 C ATOM 1453 SD MET A 93 18.426 9.308 0.782 1.00 0.00 S ATOM 1454 CE MET A 93 19.211 7.909 1.581 1.00 0.00 C ATOM 0 H MET A 93 13.940 9.460 -3.002 1.00 0.00 H new ATOM 0 HA MET A 93 15.107 8.006 -1.813 1.00 0.00 H new ATOM 0 HB2 MET A 93 16.611 9.896 -1.475 1.00 0.00 H new ATOM 0 HB3 MET A 93 15.764 10.324 -0.002 1.00 0.00 H new ATOM 0 HG2 MET A 93 16.358 8.118 0.981 1.00 0.00 H new ATOM 0 HG3 MET A 93 17.205 7.690 -0.492 1.00 0.00 H new ATOM 0 HE1 MET A 93 20.154 8.226 2.026 1.00 0.00 H new ATOM 0 HE2 MET A 93 18.555 7.520 2.360 1.00 0.00 H new ATOM 0 HE3 MET A 93 19.402 7.129 0.844 1.00 0.00 H new ATOM 1464 N TYR A 94 13.027 7.379 -0.398 1.00 0.00 N ATOM 1465 CA TYR A 94 12.069 6.849 0.539 1.00 0.00 C ATOM 1466 C TYR A 94 12.702 5.788 1.450 1.00 0.00 C ATOM 1467 O TYR A 94 13.224 4.767 0.968 1.00 0.00 O ATOM 1468 CB TYR A 94 10.818 6.299 -0.205 1.00 0.00 C ATOM 1469 CG TYR A 94 9.875 5.514 0.684 1.00 0.00 C ATOM 1470 CD1 TYR A 94 8.868 6.139 1.422 1.00 0.00 C ATOM 1471 CD2 TYR A 94 10.034 4.142 0.816 1.00 0.00 C ATOM 1472 CE1 TYR A 94 8.065 5.430 2.261 1.00 0.00 C ATOM 1473 CE2 TYR A 94 9.262 3.411 1.652 1.00 0.00 C ATOM 1474 CZ TYR A 94 8.266 4.060 2.397 1.00 0.00 C ATOM 1475 OH TYR A 94 7.491 3.345 3.278 1.00 0.00 O ATOM 0 H TYR A 94 12.973 6.969 -1.330 1.00 0.00 H new ATOM 0 HA TYR A 94 11.740 7.664 1.183 1.00 0.00 H new ATOM 0 HB2 TYR A 94 10.274 7.133 -0.649 1.00 0.00 H new ATOM 0 HB3 TYR A 94 11.146 5.660 -1.025 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.724 7.205 1.325 1.00 0.00 H new ATOM 0 HD2 TYR A 94 10.796 3.644 0.235 1.00 0.00 H new ATOM 0 HE1 TYR A 94 7.281 5.925 2.815 1.00 0.00 H new ATOM 0 HE2 TYR A 94 9.410 2.345 1.745 1.00 0.00 H new ATOM 0 HH TYR A 94 8.066 2.915 3.945 1.00 0.00 H new ATOM 1485 N PRO A 95 12.732 6.046 2.760 1.00 0.00 N ATOM 1486 CA PRO A 95 13.174 5.094 3.755 1.00 0.00 C ATOM 1487 C PRO A 95 11.986 4.452 4.523 1.00 0.00 C ATOM 1488 O PRO A 95 10.853 4.980 4.521 1.00 0.00 O ATOM 1489 CB PRO A 95 13.985 5.990 4.705 1.00 0.00 C ATOM 1490 CG PRO A 95 13.445 7.395 4.507 1.00 0.00 C ATOM 1491 CD PRO A 95 12.424 7.331 3.392 1.00 0.00 C ATOM 0 HA PRO A 95 13.723 4.256 3.326 1.00 0.00 H new ATOM 0 HB2 PRO A 95 13.869 5.669 5.740 1.00 0.00 H new ATOM 0 HB3 PRO A 95 15.049 5.943 4.474 1.00 0.00 H new ATOM 0 HG2 PRO A 95 12.989 7.764 5.425 1.00 0.00 H new ATOM 0 HG3 PRO A 95 14.250 8.084 4.252 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.403 7.362 3.773 1.00 0.00 H new ATOM 0 HD3 PRO A 95 12.530 8.163 2.695 1.00 0.00 H new ATOM 1499 N GLY A 96 12.243 3.340 5.172 1.00 0.00 N ATOM 1500 CA GLY A 96 11.228 2.703 5.982 1.00 0.00 C ATOM 1501 C GLY A 96 10.387 1.710 5.214 1.00 0.00 C ATOM 1502 O GLY A 96 9.274 2.025 4.789 1.00 0.00 O ATOM 0 H GLY A 96 13.142 2.859 5.156 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.707 2.193 6.818 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.578 3.468 6.406 1.00 0.00 H new ATOM 1506 N LYS A 97 10.911 0.534 5.022 1.00 0.00 N ATOM 1507 CA LYS A 97 10.186 -0.516 4.347 1.00 0.00 C ATOM 1508 C LYS A 97 9.779 -1.560 5.384 1.00 0.00 C ATOM 1509 O LYS A 97 8.705 -1.432 5.982 1.00 0.00 O ATOM 1510 CB LYS A 97 11.054 -1.146 3.250 1.00 0.00 C ATOM 1511 CG LYS A 97 10.341 -2.206 2.410 1.00 0.00 C ATOM 1512 CD LYS A 97 11.292 -2.870 1.426 1.00 0.00 C ATOM 1513 CE LYS A 97 12.414 -3.592 2.155 1.00 0.00 C ATOM 1514 NZ LYS A 97 13.372 -4.219 1.225 1.00 0.00 N ATOM 1515 OXT LYS A 97 10.561 -2.479 5.663 1.00 0.00 O ATOM 0 H LYS A 97 11.849 0.271 5.326 1.00 0.00 H new ATOM 0 HA LYS A 97 9.296 -0.108 3.868 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.412 -0.357 2.589 1.00 0.00 H new ATOM 0 HB3 LYS A 97 11.932 -1.597 3.713 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.909 -2.962 3.066 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.516 -1.746 1.866 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.743 -3.578 0.805 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.712 -2.119 0.758 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.942 -2.886 2.796 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.989 -4.356 2.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.119 -4.699 1.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.875 -4.913 0.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.799 -3.488 0.621 1.00 0.00 H new TER 1529 LYS A 97