USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 847 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 25 SER OG : rot 180:sc= -0.159 USER MOD Set 1.2: A 28 THR OG1 : rot -82:sc= -0.0298 USER MOD Set 2.1: A 16 LYS NZ :NH3+ 156:sc= 2.19 (180deg=0.727) USER MOD Set 2.2: A 22 ASN : amide:sc= 0.948 K(o=0.77,f=-16!) USER MOD Set 2.3: A 109 SER OG : rot 13:sc= -2.37! USER MOD Set 3.1: A 12 HIS :FLIP no HE2:sc= -1.82 F(o=-8.3!,f=-6.5) USER MOD Set 3.2: A 66 SER OG : rot -42:sc= 1.23 USER MOD Set 3.3: A 68 CYS SG : rot 90:sc= -3.14! USER MOD Set 3.4: A 70 SER OG : rot -119:sc= 0.921 USER MOD Set 3.5: A 107 THR OG1 : rot -135:sc= 0.921 USER MOD Set 3.6: A 112 HIS :FLIP no HD1:sc= -4.63! C(o=-9.7!,f=-6.5!) USER MOD Single : A 7 LYS NZ :NH3+ -158:sc= 1.05 (180deg=0.701) USER MOD Single : A 18 SER OG : rot 137:sc= 0.165 USER MOD Single : A 20 SER OG : rot -65:sc= 1.62 USER MOD Single : A 31 SER OG : rot 180:sc= -0.117 USER MOD Single : A 32 THR OG1 : rot -150:sc= -0.601 USER MOD Single : A 36 THR OG1 : rot -76:sc= 1.17 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -144:sc= -0.0566 (180deg=-0.389) USER MOD Single : A 48 SER OG : rot 170:sc= -0.087 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 176:sc= -1.23! USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 77:sc= 0.824 USER MOD Single : A 64 GLN : amide:sc= 0.835 K(o=0.84,f=-0.17) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.665 USER MOD Single : A 81 SER OG : rot 24:sc= 0.141 USER MOD Single : A 82 SER OG : rot 160:sc= -0.402 USER MOD Single : A 85 MET CE :methyl -152:sc= -0.656 (180deg=-0.936) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -165:sc= -0.0495 (180deg=-0.277) USER MOD Single : A 97 LYS NZ :NH3+ -173:sc=-0.00344 (180deg=-0.0742) USER MOD Single : A 102 SER OG : rot 130:sc= 0.929 USER MOD Single : A 106 GLN : amide:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 7 -18.835 -4.754 -2.962 1.00 0.57 N ATOM 47 CA LYS A 7 -17.891 -4.051 -3.816 1.00 0.51 C ATOM 48 C LYS A 7 -17.276 -2.870 -3.083 1.00 0.42 C ATOM 49 O LYS A 7 -17.957 -1.904 -2.740 1.00 0.60 O ATOM 50 CB LYS A 7 -18.558 -3.574 -5.109 1.00 0.64 C ATOM 51 CG LYS A 7 -18.666 -4.646 -6.184 1.00 0.92 C ATOM 52 CD LYS A 7 -17.293 -5.079 -6.685 1.00 0.87 C ATOM 53 CE LYS A 7 -17.398 -5.984 -7.902 1.00 1.10 C ATOM 54 NZ LYS A 7 -16.063 -6.455 -8.365 1.00 1.19 N ATOM 0 HA LYS A 7 -17.100 -4.754 -4.078 1.00 0.51 H new ATOM 0 HB2 LYS A 7 -19.557 -3.207 -4.876 1.00 0.64 H new ATOM 0 HB3 LYS A 7 -17.993 -2.731 -5.507 1.00 0.64 H new ATOM 0 HG2 LYS A 7 -19.197 -5.510 -5.785 1.00 0.92 H new ATOM 0 HG3 LYS A 7 -19.256 -4.267 -7.019 1.00 0.92 H new ATOM 0 HD2 LYS A 7 -16.703 -4.198 -6.937 1.00 0.87 H new ATOM 0 HD3 LYS A 7 -16.763 -5.601 -5.888 1.00 0.87 H new ATOM 0 HE2 LYS A 7 -18.022 -6.844 -7.661 1.00 1.10 H new ATOM 0 HE3 LYS A 7 -17.894 -5.447 -8.711 1.00 1.10 H new ATOM 0 HZ1 LYS A 7 -16.122 -6.739 -9.364 1.00 1.19 H new ATOM 0 HZ2 LYS A 7 -15.370 -5.686 -8.264 1.00 1.19 H new ATOM 0 HZ3 LYS A 7 -15.764 -7.269 -7.791 1.00 1.19 H new ATOM 68 N LEU A 8 -15.986 -2.975 -2.845 1.00 0.33 N ATOM 69 CA LEU A 8 -15.214 -1.938 -2.194 1.00 0.26 C ATOM 70 C LEU A 8 -14.198 -1.400 -3.198 1.00 0.22 C ATOM 71 O LEU A 8 -13.921 -2.047 -4.207 1.00 0.22 O ATOM 72 CB LEU A 8 -14.510 -2.537 -0.966 1.00 0.25 C ATOM 73 CG LEU A 8 -14.367 -1.634 0.271 1.00 0.33 C ATOM 74 CD1 LEU A 8 -14.016 -2.468 1.490 1.00 1.18 C ATOM 75 CD2 LEU A 8 -13.300 -0.572 0.068 1.00 0.81 C ATOM 0 H LEU A 8 -15.436 -3.795 -3.102 1.00 0.33 H new ATOM 0 HA LEU A 8 -15.854 -1.121 -1.860 1.00 0.26 H new ATOM 0 HB2 LEU A 8 -15.054 -3.434 -0.669 1.00 0.25 H new ATOM 0 HB3 LEU A 8 -13.513 -2.855 -1.270 1.00 0.25 H new ATOM 0 HG LEU A 8 -15.324 -1.136 0.425 1.00 0.33 H new ATOM 0 HD11 LEU A 8 -13.917 -1.818 2.359 1.00 1.18 H new ATOM 0 HD12 LEU A 8 -14.805 -3.198 1.671 1.00 1.18 H new ATOM 0 HD13 LEU A 8 -13.074 -2.987 1.316 1.00 1.18 H new ATOM 0 HD21 LEU A 8 -13.228 0.047 0.963 1.00 0.81 H new ATOM 0 HD22 LEU A 8 -12.340 -1.052 -0.120 1.00 0.81 H new ATOM 0 HD23 LEU A 8 -13.566 0.053 -0.785 1.00 0.81 H new ATOM 87 N ARG A 9 -13.671 -0.223 -2.939 1.00 0.24 N ATOM 88 CA ARG A 9 -12.626 0.363 -3.763 1.00 0.23 C ATOM 89 C ARG A 9 -11.629 1.074 -2.868 1.00 0.20 C ATOM 90 O ARG A 9 -12.023 1.887 -2.030 1.00 0.21 O ATOM 91 CB ARG A 9 -13.200 1.362 -4.767 1.00 0.25 C ATOM 92 CG ARG A 9 -12.118 2.083 -5.549 1.00 0.26 C ATOM 93 CD ARG A 9 -12.673 3.201 -6.408 1.00 0.34 C ATOM 94 NE ARG A 9 -11.596 3.925 -7.082 1.00 0.49 N ATOM 95 CZ ARG A 9 -11.619 5.231 -7.346 1.00 0.81 C ATOM 96 NH1 ARG A 9 -12.668 5.968 -6.999 1.00 1.06 N ATOM 97 NH2 ARG A 9 -10.590 5.802 -7.960 1.00 0.98 N ATOM 0 H ARG A 9 -13.953 0.359 -2.150 1.00 0.24 H new ATOM 0 HA ARG A 9 -12.139 -0.438 -4.319 1.00 0.23 H new ATOM 0 HB2 ARG A 9 -13.858 0.838 -5.461 1.00 0.25 H new ATOM 0 HB3 ARG A 9 -13.811 2.094 -4.238 1.00 0.25 H new ATOM 0 HG2 ARG A 9 -11.384 2.492 -4.855 1.00 0.26 H new ATOM 0 HG3 ARG A 9 -11.594 1.368 -6.183 1.00 0.26 H new ATOM 0 HD2 ARG A 9 -13.359 2.790 -7.148 1.00 0.34 H new ATOM 0 HD3 ARG A 9 -13.248 3.890 -5.789 1.00 0.34 H new ATOM 0 HE ARG A 9 -10.773 3.395 -7.369 1.00 0.49 H new ATOM 0 HH11 ARG A 9 -13.462 5.535 -6.528 1.00 1.06 H new ATOM 0 HH12 ARG A 9 -12.679 6.967 -7.204 1.00 1.06 H new ATOM 0 HH21 ARG A 9 -9.782 5.241 -8.230 1.00 0.98 H new ATOM 0 HH22 ARG A 9 -10.607 6.802 -8.162 1.00 0.98 H new ATOM 111 N ALA A 10 -10.347 0.781 -3.026 1.00 0.20 N ATOM 112 CA ALA A 10 -9.349 1.406 -2.174 1.00 0.17 C ATOM 113 C ALA A 10 -8.031 1.634 -2.905 1.00 0.16 C ATOM 114 O ALA A 10 -7.749 0.996 -3.914 1.00 0.17 O ATOM 115 CB ALA A 10 -9.127 0.558 -0.930 1.00 0.22 C ATOM 0 H ALA A 10 -9.980 0.130 -3.720 1.00 0.20 H new ATOM 0 HA ALA A 10 -9.728 2.386 -1.884 1.00 0.17 H new ATOM 0 HB1 ALA A 10 -8.378 1.032 -0.296 1.00 0.22 H new ATOM 0 HB2 ALA A 10 -10.064 0.467 -0.380 1.00 0.22 H new ATOM 0 HB3 ALA A 10 -8.780 -0.433 -1.222 1.00 0.22 H new ATOM 121 N ALA A 11 -7.239 2.560 -2.384 1.00 0.17 N ATOM 122 CA ALA A 11 -5.925 2.862 -2.929 1.00 0.18 C ATOM 123 C ALA A 11 -4.863 2.311 -2.001 1.00 0.17 C ATOM 124 O ALA A 11 -4.963 2.470 -0.786 1.00 0.19 O ATOM 125 CB ALA A 11 -5.751 4.367 -3.111 1.00 0.20 C ATOM 0 H ALA A 11 -7.490 3.123 -1.571 1.00 0.17 H new ATOM 0 HA ALA A 11 -5.826 2.394 -3.908 1.00 0.18 H new ATOM 0 HB1 ALA A 11 -4.762 4.572 -3.520 1.00 0.20 H new ATOM 0 HB2 ALA A 11 -6.511 4.741 -3.797 1.00 0.20 H new ATOM 0 HB3 ALA A 11 -5.856 4.865 -2.147 1.00 0.20 H new ATOM 131 N HIS A 12 -3.848 1.674 -2.558 1.00 0.16 N ATOM 132 CA HIS A 12 -2.888 0.959 -1.734 1.00 0.16 C ATOM 133 C HIS A 12 -1.462 1.171 -2.228 1.00 0.15 C ATOM 134 O HIS A 12 -1.208 1.197 -3.432 1.00 0.19 O ATOM 135 CB HIS A 12 -3.225 -0.539 -1.694 1.00 0.17 C ATOM 136 CG HIS A 12 -2.894 -1.305 -2.946 1.00 0.15 C ATOM 137 ND1 HIS A 12 -2.139 -2.414 -3.122 1.00 0.23 N flip ATOM 138 CD2 HIS A 12 -3.355 -0.964 -4.196 1.00 0.22 C flip ATOM 139 CE1 HIS A 12 -2.161 -2.722 -4.454 1.00 0.23 C flip ATOM 140 NE2 HIS A 12 -2.898 -1.832 -5.080 1.00 0.21 N flip ATOM 0 H HIS A 12 -3.668 1.636 -3.561 1.00 0.16 H new ATOM 0 HA HIS A 12 -2.953 1.361 -0.723 1.00 0.16 H new ATOM 0 HB2 HIS A 12 -2.692 -0.993 -0.858 1.00 0.17 H new ATOM 0 HB3 HIS A 12 -4.290 -0.650 -1.491 1.00 0.17 H new ATOM 0 HD1 HIS A 12 -1.643 -2.927 -2.393 1.00 0.23 H new ATOM 0 HD2 HIS A 12 -3.990 -0.120 -4.419 1.00 0.22 H new ATOM 0 HE1 HIS A 12 -1.656 -3.558 -4.915 1.00 0.23 H new ATOM 149 N LEU A 13 -0.544 1.329 -1.290 1.00 0.15 N ATOM 150 CA LEU A 13 0.868 1.445 -1.612 1.00 0.14 C ATOM 151 C LEU A 13 1.584 0.199 -1.103 1.00 0.16 C ATOM 152 O LEU A 13 1.218 -0.346 -0.061 1.00 0.24 O ATOM 153 CB LEU A 13 1.444 2.730 -0.988 1.00 0.15 C ATOM 154 CG LEU A 13 2.803 3.199 -1.530 1.00 0.15 C ATOM 155 CD1 LEU A 13 2.987 4.686 -1.283 1.00 0.16 C ATOM 156 CD2 LEU A 13 3.949 2.431 -0.893 1.00 0.18 C ATOM 0 H LEU A 13 -0.753 1.380 -0.293 1.00 0.15 H new ATOM 0 HA LEU A 13 1.012 1.516 -2.690 1.00 0.14 H new ATOM 0 HB2 LEU A 13 0.722 3.534 -1.132 1.00 0.15 H new ATOM 0 HB3 LEU A 13 1.539 2.576 0.087 1.00 0.15 H new ATOM 0 HG LEU A 13 2.814 3.006 -2.603 1.00 0.15 H new ATOM 0 HD11 LEU A 13 3.954 5.003 -1.673 1.00 0.16 H new ATOM 0 HD12 LEU A 13 2.194 5.239 -1.787 1.00 0.16 H new ATOM 0 HD13 LEU A 13 2.945 4.885 -0.212 1.00 0.16 H new ATOM 0 HD21 LEU A 13 4.896 2.788 -1.299 1.00 0.18 H new ATOM 0 HD22 LEU A 13 3.935 2.586 0.186 1.00 0.18 H new ATOM 0 HD23 LEU A 13 3.839 1.368 -1.109 1.00 0.18 H new ATOM 168 N LEU A 14 2.571 -0.269 -1.851 1.00 0.13 N ATOM 169 CA LEU A 14 3.289 -1.488 -1.505 1.00 0.14 C ATOM 170 C LEU A 14 4.792 -1.264 -1.532 1.00 0.16 C ATOM 171 O LEU A 14 5.355 -0.899 -2.562 1.00 0.27 O ATOM 172 CB LEU A 14 2.906 -2.611 -2.474 1.00 0.16 C ATOM 173 CG LEU A 14 3.799 -3.859 -2.458 1.00 0.20 C ATOM 174 CD1 LEU A 14 3.814 -4.518 -1.088 1.00 0.18 C ATOM 175 CD2 LEU A 14 3.325 -4.841 -3.518 1.00 0.27 C ATOM 0 H LEU A 14 2.896 0.180 -2.708 1.00 0.13 H new ATOM 0 HA LEU A 14 3.008 -1.775 -0.492 1.00 0.14 H new ATOM 0 HB2 LEU A 14 1.884 -2.919 -2.253 1.00 0.16 H new ATOM 0 HB3 LEU A 14 2.905 -2.204 -3.485 1.00 0.16 H new ATOM 0 HG LEU A 14 4.820 -3.552 -2.682 1.00 0.20 H new ATOM 0 HD11 LEU A 14 4.456 -5.398 -1.115 1.00 0.18 H new ATOM 0 HD12 LEU A 14 4.195 -3.813 -0.349 1.00 0.18 H new ATOM 0 HD13 LEU A 14 2.801 -4.816 -0.817 1.00 0.18 H new ATOM 0 HD21 LEU A 14 3.961 -5.726 -3.504 1.00 0.27 H new ATOM 0 HD22 LEU A 14 2.295 -5.131 -3.311 1.00 0.27 H new ATOM 0 HD23 LEU A 14 3.379 -4.371 -4.500 1.00 0.27 H new ATOM 187 N VAL A 15 5.431 -1.484 -0.398 1.00 0.13 N ATOM 188 CA VAL A 15 6.878 -1.402 -0.311 1.00 0.13 C ATOM 189 C VAL A 15 7.457 -2.805 -0.185 1.00 0.13 C ATOM 190 O VAL A 15 6.966 -3.619 0.603 1.00 0.15 O ATOM 191 CB VAL A 15 7.343 -0.550 0.895 1.00 0.13 C ATOM 192 CG1 VAL A 15 8.854 -0.371 0.879 1.00 0.13 C ATOM 193 CG2 VAL A 15 6.649 0.802 0.904 1.00 0.15 C ATOM 0 H VAL A 15 4.969 -1.722 0.480 1.00 0.13 H new ATOM 0 HA VAL A 15 7.236 -0.918 -1.220 1.00 0.13 H new ATOM 0 HB VAL A 15 7.069 -1.081 1.806 1.00 0.13 H new ATOM 0 HG11 VAL A 15 9.158 0.231 1.735 1.00 0.13 H new ATOM 0 HG12 VAL A 15 9.337 -1.347 0.932 1.00 0.13 H new ATOM 0 HG13 VAL A 15 9.151 0.132 -0.041 1.00 0.13 H new ATOM 0 HG21 VAL A 15 6.993 1.382 1.761 1.00 0.15 H new ATOM 0 HG22 VAL A 15 6.885 1.338 -0.015 1.00 0.15 H new ATOM 0 HG23 VAL A 15 5.571 0.657 0.973 1.00 0.15 H new ATOM 203 N LYS A 16 8.472 -3.094 -0.980 1.00 0.15 N ATOM 204 CA LYS A 16 9.144 -4.380 -0.920 1.00 0.17 C ATOM 205 C LYS A 16 10.499 -4.222 -0.259 1.00 0.16 C ATOM 206 O LYS A 16 11.101 -3.148 -0.301 1.00 0.24 O ATOM 207 CB LYS A 16 9.306 -4.976 -2.319 1.00 0.23 C ATOM 208 CG LYS A 16 8.009 -5.470 -2.928 1.00 0.26 C ATOM 209 CD LYS A 16 7.493 -6.698 -2.203 1.00 0.37 C ATOM 210 CE LYS A 16 6.178 -7.176 -2.790 1.00 0.48 C ATOM 211 NZ LYS A 16 6.294 -7.518 -4.230 1.00 0.62 N ATOM 0 H LYS A 16 8.850 -2.453 -1.677 1.00 0.15 H new ATOM 0 HA LYS A 16 8.533 -5.062 -0.329 1.00 0.17 H new ATOM 0 HB2 LYS A 16 9.741 -4.223 -2.976 1.00 0.23 H new ATOM 0 HB3 LYS A 16 10.013 -5.805 -2.271 1.00 0.23 H new ATOM 0 HG2 LYS A 16 7.260 -4.679 -2.886 1.00 0.26 H new ATOM 0 HG3 LYS A 16 8.165 -5.705 -3.981 1.00 0.26 H new ATOM 0 HD2 LYS A 16 8.232 -7.496 -2.265 1.00 0.37 H new ATOM 0 HD3 LYS A 16 7.359 -6.469 -1.146 1.00 0.37 H new ATOM 0 HE2 LYS A 16 5.833 -8.050 -2.238 1.00 0.48 H new ATOM 0 HE3 LYS A 16 5.423 -6.400 -2.663 1.00 0.48 H new ATOM 0 HZ1 LYS A 16 5.547 -8.194 -4.488 1.00 0.62 H new ATOM 0 HZ2 LYS A 16 6.192 -6.655 -4.801 1.00 0.62 H new ATOM 0 HZ3 LYS A 16 7.225 -7.945 -4.411 1.00 0.62 H new ATOM 225 N PHE A 17 10.985 -5.297 0.330 1.00 0.17 N ATOM 226 CA PHE A 17 12.231 -5.259 1.069 1.00 0.17 C ATOM 227 C PHE A 17 12.936 -6.606 0.988 1.00 0.19 C ATOM 228 O PHE A 17 12.332 -7.607 0.618 1.00 0.21 O ATOM 229 CB PHE A 17 11.971 -4.858 2.528 1.00 0.17 C ATOM 230 CG PHE A 17 11.058 -5.781 3.294 1.00 0.17 C ATOM 231 CD1 PHE A 17 11.559 -6.899 3.944 1.00 0.19 C ATOM 232 CD2 PHE A 17 9.700 -5.517 3.379 1.00 0.20 C ATOM 233 CE1 PHE A 17 10.723 -7.736 4.660 1.00 0.23 C ATOM 234 CE2 PHE A 17 8.861 -6.350 4.096 1.00 0.23 C ATOM 235 CZ PHE A 17 9.373 -7.459 4.736 1.00 0.25 C ATOM 0 H PHE A 17 10.533 -6.211 0.311 1.00 0.17 H new ATOM 0 HA PHE A 17 12.884 -4.509 0.622 1.00 0.17 H new ATOM 0 HB2 PHE A 17 12.927 -4.804 3.049 1.00 0.17 H new ATOM 0 HB3 PHE A 17 11.543 -3.856 2.542 1.00 0.17 H new ATOM 0 HD1 PHE A 17 12.615 -7.119 3.890 1.00 0.19 H new ATOM 0 HD2 PHE A 17 9.292 -4.651 2.879 1.00 0.20 H new ATOM 0 HE1 PHE A 17 11.126 -8.605 5.159 1.00 0.23 H new ATOM 0 HE2 PHE A 17 7.805 -6.132 4.155 1.00 0.23 H new ATOM 0 HZ PHE A 17 8.718 -8.110 5.296 1.00 0.25 H new ATOM 245 N SER A 18 14.223 -6.611 1.268 1.00 0.22 N ATOM 246 CA SER A 18 14.988 -7.820 1.339 1.00 0.26 C ATOM 247 C SER A 18 14.335 -8.797 2.315 1.00 0.30 C ATOM 248 O SER A 18 14.333 -8.569 3.526 1.00 0.30 O ATOM 249 CB SER A 18 16.401 -7.462 1.795 1.00 0.29 C ATOM 250 OG SER A 18 17.294 -8.494 1.484 1.00 1.04 O ATOM 0 H SER A 18 14.763 -5.766 1.453 1.00 0.22 H new ATOM 0 HA SER A 18 15.028 -8.303 0.362 1.00 0.26 H new ATOM 0 HB2 SER A 18 16.722 -6.538 1.313 1.00 0.29 H new ATOM 0 HB3 SER A 18 16.407 -7.280 2.870 1.00 0.29 H new ATOM 0 HG SER A 18 18.119 -8.113 1.118 1.00 1.04 H new ATOM 256 N GLY A 19 13.764 -9.872 1.781 1.00 0.35 N ATOM 257 CA GLY A 19 13.086 -10.837 2.620 1.00 0.45 C ATOM 258 C GLY A 19 11.572 -10.752 2.509 1.00 0.42 C ATOM 259 O GLY A 19 10.855 -11.379 3.290 1.00 0.53 O ATOM 0 H GLY A 19 13.760 -10.090 0.785 1.00 0.35 H new ATOM 0 HA2 GLY A 19 13.410 -11.841 2.346 1.00 0.45 H new ATOM 0 HA3 GLY A 19 13.379 -10.679 3.658 1.00 0.45 H new ATOM 263 N SER A 20 11.075 -9.980 1.550 1.00 0.34 N ATOM 264 CA SER A 20 9.644 -9.776 1.405 1.00 0.41 C ATOM 265 C SER A 20 9.048 -10.746 0.386 1.00 0.40 C ATOM 266 O SER A 20 8.189 -10.364 -0.410 1.00 0.45 O ATOM 267 CB SER A 20 9.358 -8.328 0.990 1.00 0.51 C ATOM 268 OG SER A 20 9.990 -7.998 -0.234 1.00 0.70 O ATOM 0 H SER A 20 11.644 -9.486 0.863 1.00 0.34 H new ATOM 0 HA SER A 20 9.174 -9.971 2.369 1.00 0.41 H new ATOM 0 HB2 SER A 20 8.282 -8.183 0.894 1.00 0.51 H new ATOM 0 HB3 SER A 20 9.703 -7.651 1.771 1.00 0.51 H new ATOM 0 HG SER A 20 10.963 -8.029 -0.119 1.00 0.70 H new ATOM 274 N ARG A 21 9.527 -11.995 0.406 1.00 0.43 N ATOM 275 CA ARG A 21 9.055 -13.054 -0.496 1.00 0.49 C ATOM 276 C ARG A 21 9.602 -12.854 -1.913 1.00 0.51 C ATOM 277 O ARG A 21 9.890 -13.817 -2.623 1.00 0.60 O ATOM 278 CB ARG A 21 7.522 -13.126 -0.494 1.00 0.58 C ATOM 279 CG ARG A 21 6.949 -14.211 -1.384 1.00 1.25 C ATOM 280 CD ARG A 21 5.443 -14.304 -1.229 1.00 1.25 C ATOM 281 NE ARG A 21 4.846 -15.239 -2.180 1.00 2.28 N ATOM 282 CZ ARG A 21 3.703 -15.888 -1.968 1.00 2.47 C ATOM 283 NH1 ARG A 21 3.065 -15.762 -0.810 1.00 1.89 N ATOM 284 NH2 ARG A 21 3.206 -16.675 -2.908 1.00 3.49 N ATOM 0 H ARG A 21 10.256 -12.302 1.050 1.00 0.43 H new ATOM 0 HA ARG A 21 9.435 -14.008 -0.129 1.00 0.49 H new ATOM 0 HB2 ARG A 21 7.179 -13.291 0.527 1.00 0.58 H new ATOM 0 HB3 ARG A 21 7.124 -12.163 -0.813 1.00 0.58 H new ATOM 0 HG2 ARG A 21 7.199 -14.002 -2.424 1.00 1.25 H new ATOM 0 HG3 ARG A 21 7.404 -15.169 -1.133 1.00 1.25 H new ATOM 0 HD2 ARG A 21 5.203 -14.619 -0.213 1.00 1.25 H new ATOM 0 HD3 ARG A 21 5.004 -13.316 -1.369 1.00 1.25 H new ATOM 0 HE ARG A 21 5.335 -15.405 -3.060 1.00 2.28 H new ATOM 0 HH11 ARG A 21 3.450 -15.166 -0.078 1.00 1.89 H new ATOM 0 HH12 ARG A 21 2.190 -16.262 -0.653 1.00 1.89 H new ATOM 0 HH21 ARG A 21 3.698 -16.784 -3.795 1.00 3.49 H new ATOM 0 HH22 ARG A 21 2.330 -17.173 -2.746 1.00 3.49 H new ATOM 298 N ASN A 22 9.748 -11.600 -2.312 1.00 0.51 N ATOM 299 CA ASN A 22 10.404 -11.245 -3.559 1.00 0.62 C ATOM 300 C ASN A 22 11.043 -9.868 -3.417 1.00 0.58 C ATOM 301 O ASN A 22 10.358 -8.862 -3.231 1.00 0.64 O ATOM 302 CB ASN A 22 9.428 -11.293 -4.746 1.00 0.87 C ATOM 303 CG ASN A 22 8.187 -10.439 -4.561 1.00 0.93 C ATOM 304 OD1 ASN A 22 8.163 -9.261 -4.926 1.00 1.77 O ATOM 305 ND2 ASN A 22 7.134 -11.037 -4.020 1.00 0.80 N ATOM 0 H ASN A 22 9.414 -10.798 -1.778 1.00 0.51 H new ATOM 0 HA ASN A 22 11.183 -11.978 -3.768 1.00 0.62 H new ATOM 0 HB2 ASN A 22 9.950 -10.967 -5.646 1.00 0.87 H new ATOM 0 HB3 ASN A 22 9.124 -12.327 -4.911 1.00 0.87 H new ATOM 0 HD21 ASN A 22 6.264 -10.521 -3.893 1.00 0.80 H new ATOM 0 HD22 ASN A 22 7.195 -12.013 -3.731 1.00 0.80 H new ATOM 312 N PRO A 23 12.377 -9.809 -3.466 1.00 0.55 N ATOM 313 CA PRO A 23 13.119 -8.586 -3.191 1.00 0.61 C ATOM 314 C PRO A 23 13.222 -7.667 -4.408 1.00 0.79 C ATOM 315 O PRO A 23 14.313 -7.411 -4.903 1.00 1.71 O ATOM 316 CB PRO A 23 14.496 -9.113 -2.806 1.00 0.66 C ATOM 317 CG PRO A 23 14.660 -10.359 -3.611 1.00 0.73 C ATOM 318 CD PRO A 23 13.276 -10.934 -3.794 1.00 0.57 C ATOM 0 HA PRO A 23 12.637 -7.976 -2.427 1.00 0.61 H new ATOM 0 HB2 PRO A 23 15.277 -8.387 -3.035 1.00 0.66 H new ATOM 0 HB3 PRO A 23 14.557 -9.320 -1.738 1.00 0.66 H new ATOM 0 HG2 PRO A 23 15.120 -10.141 -4.575 1.00 0.73 H new ATOM 0 HG3 PRO A 23 15.311 -11.069 -3.100 1.00 0.73 H new ATOM 0 HD2 PRO A 23 13.121 -11.285 -4.814 1.00 0.57 H new ATOM 0 HD3 PRO A 23 13.107 -11.786 -3.135 1.00 0.57 H new ATOM 326 N VAL A 24 12.083 -7.167 -4.870 1.00 0.39 N ATOM 327 CA VAL A 24 12.021 -6.262 -6.020 1.00 0.36 C ATOM 328 C VAL A 24 10.862 -5.282 -5.847 1.00 0.32 C ATOM 329 O VAL A 24 9.710 -5.698 -5.771 1.00 0.35 O ATOM 330 CB VAL A 24 11.810 -7.013 -7.358 1.00 0.42 C ATOM 331 CG1 VAL A 24 11.832 -6.036 -8.527 1.00 0.43 C ATOM 332 CG2 VAL A 24 12.849 -8.106 -7.561 1.00 0.48 C ATOM 0 H VAL A 24 11.173 -7.375 -4.460 1.00 0.39 H new ATOM 0 HA VAL A 24 12.979 -5.744 -6.059 1.00 0.36 H new ATOM 0 HB VAL A 24 10.832 -7.492 -7.315 1.00 0.42 H new ATOM 0 HG11 VAL A 24 11.682 -6.581 -9.459 1.00 0.43 H new ATOM 0 HG12 VAL A 24 11.035 -5.303 -8.403 1.00 0.43 H new ATOM 0 HG13 VAL A 24 12.794 -5.525 -8.556 1.00 0.43 H new ATOM 0 HG21 VAL A 24 12.667 -8.609 -8.511 1.00 0.48 H new ATOM 0 HG22 VAL A 24 13.845 -7.664 -7.570 1.00 0.48 H new ATOM 0 HG23 VAL A 24 12.780 -8.829 -6.748 1.00 0.48 H new ATOM 342 N SER A 25 11.170 -3.995 -5.737 1.00 0.32 N ATOM 343 CA SER A 25 10.142 -2.964 -5.656 1.00 0.32 C ATOM 344 C SER A 25 10.044 -2.196 -6.978 1.00 0.32 C ATOM 345 O SER A 25 10.997 -2.182 -7.757 1.00 0.36 O ATOM 346 CB SER A 25 10.467 -2.009 -4.504 1.00 0.42 C ATOM 347 OG SER A 25 11.796 -1.524 -4.603 1.00 1.12 O ATOM 0 H SER A 25 12.126 -3.640 -5.702 1.00 0.32 H new ATOM 0 HA SER A 25 9.178 -3.436 -5.468 1.00 0.32 H new ATOM 0 HB2 SER A 25 9.769 -1.172 -4.514 1.00 0.42 H new ATOM 0 HB3 SER A 25 10.334 -2.524 -3.552 1.00 0.42 H new ATOM 0 HG SER A 25 11.978 -0.915 -3.857 1.00 1.12 H new ATOM 353 N ARG A 26 8.900 -1.546 -7.227 1.00 0.32 N ATOM 354 CA ARG A 26 8.769 -0.633 -8.373 1.00 0.34 C ATOM 355 C ARG A 26 9.576 0.631 -8.132 1.00 0.37 C ATOM 356 O ARG A 26 9.660 1.504 -8.992 1.00 0.44 O ATOM 357 CB ARG A 26 7.309 -0.267 -8.655 1.00 0.39 C ATOM 358 CG ARG A 26 6.642 -1.155 -9.701 1.00 0.52 C ATOM 359 CD ARG A 26 6.917 -2.629 -9.455 1.00 0.82 C ATOM 360 NE ARG A 26 6.426 -3.478 -10.536 1.00 1.21 N ATOM 361 CZ ARG A 26 6.363 -4.807 -10.457 1.00 1.88 C ATOM 362 NH1 ARG A 26 6.736 -5.425 -9.343 1.00 2.47 N ATOM 363 NH2 ARG A 26 5.920 -5.514 -11.486 1.00 2.54 N ATOM 0 H ARG A 26 8.058 -1.633 -6.657 1.00 0.32 H new ATOM 0 HA ARG A 26 9.156 -1.156 -9.248 1.00 0.34 H new ATOM 0 HB2 ARG A 26 6.743 -0.328 -7.726 1.00 0.39 H new ATOM 0 HB3 ARG A 26 7.262 0.770 -8.989 1.00 0.39 H new ATOM 0 HG2 ARG A 26 5.566 -0.980 -9.692 1.00 0.52 H new ATOM 0 HG3 ARG A 26 7.001 -0.880 -10.693 1.00 0.52 H new ATOM 0 HD2 ARG A 26 7.990 -2.780 -9.338 1.00 0.82 H new ATOM 0 HD3 ARG A 26 6.448 -2.931 -8.519 1.00 0.82 H new ATOM 0 HE ARG A 26 6.114 -3.030 -11.398 1.00 1.21 H new ATOM 0 HH11 ARG A 26 7.071 -4.883 -8.547 1.00 2.47 H new ATOM 0 HH12 ARG A 26 6.687 -6.442 -9.283 1.00 2.47 H new ATOM 0 HH21 ARG A 26 5.626 -5.041 -12.341 1.00 2.54 H new ATOM 0 HH22 ARG A 26 5.873 -6.531 -11.423 1.00 2.54 H new ATOM 377 N ARG A 27 10.161 0.722 -6.947 1.00 0.36 N ATOM 378 CA ARG A 27 11.033 1.827 -6.609 1.00 0.44 C ATOM 379 C ARG A 27 12.381 1.631 -7.286 1.00 0.53 C ATOM 380 O ARG A 27 12.982 2.578 -7.793 1.00 0.73 O ATOM 381 CB ARG A 27 11.235 1.903 -5.097 1.00 0.52 C ATOM 382 CG ARG A 27 11.549 3.301 -4.597 1.00 0.55 C ATOM 383 CD ARG A 27 12.257 3.278 -3.253 1.00 0.70 C ATOM 384 NE ARG A 27 13.603 2.716 -3.344 1.00 0.91 N ATOM 385 CZ ARG A 27 14.327 2.330 -2.292 1.00 1.12 C ATOM 386 NH1 ARG A 27 13.849 2.463 -1.060 1.00 1.77 N ATOM 387 NH2 ARG A 27 15.542 1.830 -2.472 1.00 1.63 N ATOM 0 H ARG A 27 10.044 0.036 -6.201 1.00 0.36 H new ATOM 0 HA ARG A 27 10.575 2.755 -6.952 1.00 0.44 H new ATOM 0 HB2 ARG A 27 10.335 1.542 -4.600 1.00 0.52 H new ATOM 0 HB3 ARG A 27 12.047 1.233 -4.813 1.00 0.52 H new ATOM 0 HG2 ARG A 27 12.174 3.816 -5.327 1.00 0.55 H new ATOM 0 HG3 ARG A 27 10.624 3.871 -4.510 1.00 0.55 H new ATOM 0 HD2 ARG A 27 12.315 4.292 -2.858 1.00 0.70 H new ATOM 0 HD3 ARG A 27 11.669 2.694 -2.545 1.00 0.70 H new ATOM 0 HE ARG A 27 14.015 2.612 -4.271 1.00 0.91 H new ATOM 0 HH11 ARG A 27 12.922 2.863 -0.913 1.00 1.77 H new ATOM 0 HH12 ARG A 27 14.409 2.165 -0.261 1.00 1.77 H new ATOM 0 HH21 ARG A 27 15.922 1.741 -3.414 1.00 1.63 H new ATOM 0 HH22 ARG A 27 16.096 1.535 -1.668 1.00 1.63 H new ATOM 401 N THR A 28 12.845 0.387 -7.296 1.00 0.45 N ATOM 402 CA THR A 28 14.150 0.072 -7.843 1.00 0.53 C ATOM 403 C THR A 28 14.026 -0.563 -9.223 1.00 0.55 C ATOM 404 O THR A 28 14.851 -0.329 -10.105 1.00 0.67 O ATOM 405 CB THR A 28 14.902 -0.904 -6.918 1.00 0.55 C ATOM 406 OG1 THR A 28 14.220 -2.164 -6.870 1.00 0.55 O ATOM 407 CG2 THR A 28 15.001 -0.353 -5.508 1.00 0.53 C ATOM 0 H THR A 28 12.334 -0.417 -6.931 1.00 0.45 H new ATOM 0 HA THR A 28 14.704 1.007 -7.924 1.00 0.53 H new ATOM 0 HB THR A 28 15.905 -1.035 -7.323 1.00 0.55 H new ATOM 0 HG1 THR A 28 13.478 -2.110 -6.232 1.00 0.55 H new ATOM 0 HG21 THR A 28 15.536 -1.062 -4.877 1.00 0.53 H new ATOM 0 HG22 THR A 28 15.538 0.595 -5.525 1.00 0.53 H new ATOM 0 HG23 THR A 28 13.999 -0.195 -5.108 1.00 0.53 H new ATOM 415 N GLY A 29 12.986 -1.367 -9.401 1.00 0.47 N ATOM 416 CA GLY A 29 12.765 -2.047 -10.664 1.00 0.52 C ATOM 417 C GLY A 29 13.616 -3.299 -10.799 1.00 0.58 C ATOM 418 O GLY A 29 13.234 -4.251 -11.480 1.00 0.82 O ATOM 0 H GLY A 29 12.285 -1.562 -8.686 1.00 0.47 H new ATOM 0 HA2 GLY A 29 11.712 -2.314 -10.751 1.00 0.52 H new ATOM 0 HA3 GLY A 29 12.990 -1.367 -11.485 1.00 0.52 H new ATOM 422 N ASP A 30 14.768 -3.296 -10.139 1.00 0.53 N ATOM 423 CA ASP A 30 15.700 -4.415 -10.199 1.00 0.58 C ATOM 424 C ASP A 30 15.539 -5.312 -8.983 1.00 0.55 C ATOM 425 O ASP A 30 15.060 -6.437 -9.090 1.00 0.84 O ATOM 426 CB ASP A 30 17.144 -3.916 -10.277 1.00 0.67 C ATOM 427 CG ASP A 30 17.456 -3.229 -11.586 1.00 1.31 C ATOM 428 OD1 ASP A 30 17.779 -3.927 -12.573 1.00 1.69 O ATOM 429 OD2 ASP A 30 17.373 -1.987 -11.641 1.00 2.10 O ATOM 0 H ASP A 30 15.081 -2.523 -9.551 1.00 0.53 H new ATOM 0 HA ASP A 30 15.474 -4.988 -11.098 1.00 0.58 H new ATOM 0 HB2 ASP A 30 17.329 -3.224 -9.456 1.00 0.67 H new ATOM 0 HB3 ASP A 30 17.823 -4.759 -10.143 1.00 0.67 H new ATOM 434 N SER A 31 15.969 -4.816 -7.831 1.00 0.53 N ATOM 435 CA SER A 31 15.821 -5.536 -6.576 1.00 0.50 C ATOM 436 C SER A 31 15.787 -4.557 -5.408 1.00 0.42 C ATOM 437 O SER A 31 16.261 -3.430 -5.526 1.00 0.48 O ATOM 438 CB SER A 31 16.955 -6.533 -6.387 1.00 0.62 C ATOM 439 OG SER A 31 17.018 -7.456 -7.466 1.00 1.08 O ATOM 0 H SER A 31 16.427 -3.909 -7.741 1.00 0.53 H new ATOM 0 HA SER A 31 14.880 -6.086 -6.607 1.00 0.50 H new ATOM 0 HB2 SER A 31 17.902 -5.999 -6.307 1.00 0.62 H new ATOM 0 HB3 SER A 31 16.814 -7.074 -5.451 1.00 0.62 H new ATOM 0 HG SER A 31 17.757 -8.083 -7.318 1.00 1.08 H new ATOM 445 N THR A 32 15.199 -4.978 -4.299 1.00 0.34 N ATOM 446 CA THR A 32 15.132 -4.153 -3.099 1.00 0.29 C ATOM 447 C THR A 32 15.765 -4.903 -1.920 1.00 0.27 C ATOM 448 O THR A 32 15.339 -4.800 -0.771 1.00 0.28 O ATOM 449 CB THR A 32 13.668 -3.740 -2.799 1.00 0.27 C ATOM 450 OG1 THR A 32 13.586 -2.872 -1.671 1.00 0.27 O ATOM 451 CG2 THR A 32 12.789 -4.953 -2.574 1.00 0.29 C ATOM 0 H THR A 32 14.758 -5.893 -4.203 1.00 0.34 H new ATOM 0 HA THR A 32 15.697 -3.235 -3.261 1.00 0.29 H new ATOM 0 HB THR A 32 13.308 -3.202 -3.676 1.00 0.27 H new ATOM 0 HG1 THR A 32 12.727 -3.005 -1.218 1.00 0.27 H new ATOM 0 HG21 THR A 32 11.769 -4.630 -2.366 1.00 0.29 H new ATOM 0 HG22 THR A 32 12.797 -5.578 -3.467 1.00 0.29 H new ATOM 0 HG23 THR A 32 13.168 -5.525 -1.727 1.00 0.29 H new ATOM 459 N ALA A 33 16.810 -5.658 -2.236 1.00 0.31 N ATOM 460 CA ALA A 33 17.496 -6.504 -1.264 1.00 0.32 C ATOM 461 C ALA A 33 18.422 -5.685 -0.361 1.00 0.34 C ATOM 462 O ALA A 33 19.023 -6.205 0.578 1.00 0.37 O ATOM 463 CB ALA A 33 18.272 -7.590 -1.989 1.00 0.37 C ATOM 0 H ALA A 33 17.207 -5.702 -3.174 1.00 0.31 H new ATOM 0 HA ALA A 33 16.747 -6.967 -0.622 1.00 0.32 H new ATOM 0 HB1 ALA A 33 18.783 -8.220 -1.261 1.00 0.37 H new ATOM 0 HB2 ALA A 33 17.584 -8.199 -2.576 1.00 0.37 H new ATOM 0 HB3 ALA A 33 19.007 -7.132 -2.651 1.00 0.37 H new ATOM 469 N ASP A 34 18.525 -4.402 -0.656 1.00 0.35 N ATOM 470 CA ASP A 34 19.402 -3.500 0.089 1.00 0.40 C ATOM 471 C ASP A 34 18.622 -2.751 1.157 1.00 0.36 C ATOM 472 O ASP A 34 19.171 -1.915 1.877 1.00 0.43 O ATOM 473 CB ASP A 34 20.074 -2.498 -0.854 1.00 0.49 C ATOM 474 CG ASP A 34 21.237 -3.097 -1.615 1.00 1.29 C ATOM 475 OD1 ASP A 34 20.994 -3.725 -2.669 1.00 2.21 O ATOM 476 OD2 ASP A 34 22.394 -2.949 -1.166 1.00 1.31 O ATOM 0 H ASP A 34 18.009 -3.952 -1.413 1.00 0.35 H new ATOM 0 HA ASP A 34 20.171 -4.104 0.571 1.00 0.40 H new ATOM 0 HB2 ASP A 34 19.336 -2.123 -1.563 1.00 0.49 H new ATOM 0 HB3 ASP A 34 20.425 -1.643 -0.277 1.00 0.49 H new ATOM 481 N VAL A 35 17.339 -3.050 1.244 1.00 0.31 N ATOM 482 CA VAL A 35 16.458 -2.423 2.210 1.00 0.28 C ATOM 483 C VAL A 35 15.680 -3.495 2.973 1.00 0.25 C ATOM 484 O VAL A 35 15.192 -4.450 2.380 1.00 0.25 O ATOM 485 CB VAL A 35 15.506 -1.404 1.515 1.00 0.27 C ATOM 486 CG1 VAL A 35 15.547 -1.548 -0.003 1.00 0.28 C ATOM 487 CG2 VAL A 35 14.077 -1.535 2.015 1.00 0.26 C ATOM 0 H VAL A 35 16.878 -3.736 0.646 1.00 0.31 H new ATOM 0 HA VAL A 35 17.057 -1.862 2.927 1.00 0.28 H new ATOM 0 HB VAL A 35 15.867 -0.409 1.777 1.00 0.27 H new ATOM 0 HG11 VAL A 35 14.871 -0.822 -0.456 1.00 0.28 H new ATOM 0 HG12 VAL A 35 16.562 -1.370 -0.358 1.00 0.28 H new ATOM 0 HG13 VAL A 35 15.237 -2.555 -0.281 1.00 0.28 H new ATOM 0 HG21 VAL A 35 13.445 -0.807 1.506 1.00 0.26 H new ATOM 0 HG22 VAL A 35 13.710 -2.541 1.809 1.00 0.26 H new ATOM 0 HG23 VAL A 35 14.049 -1.351 3.089 1.00 0.26 H new ATOM 497 N THR A 36 15.602 -3.350 4.291 1.00 0.25 N ATOM 498 CA THR A 36 14.908 -4.319 5.133 1.00 0.27 C ATOM 499 C THR A 36 13.500 -3.836 5.403 1.00 0.23 C ATOM 500 O THR A 36 13.113 -2.798 4.881 1.00 0.20 O ATOM 501 CB THR A 36 15.626 -4.503 6.479 1.00 0.31 C ATOM 502 OG1 THR A 36 15.797 -3.231 7.115 1.00 0.30 O ATOM 503 CG2 THR A 36 16.972 -5.181 6.293 1.00 0.39 C ATOM 0 H THR A 36 16.012 -2.568 4.802 1.00 0.25 H new ATOM 0 HA THR A 36 14.895 -5.273 4.606 1.00 0.27 H new ATOM 0 HB THR A 36 15.012 -5.144 7.112 1.00 0.31 H new ATOM 0 HG1 THR A 36 16.523 -2.740 6.675 1.00 0.30 H new ATOM 0 HG21 THR A 36 17.457 -5.298 7.262 1.00 0.39 H new ATOM 0 HG22 THR A 36 16.826 -6.161 5.839 1.00 0.39 H new ATOM 0 HG23 THR A 36 17.600 -4.571 5.644 1.00 0.39 H new ATOM 511 N TYR A 37 12.726 -4.544 6.218 1.00 0.26 N ATOM 512 CA TYR A 37 11.428 -4.012 6.590 1.00 0.27 C ATOM 513 C TYR A 37 11.601 -2.782 7.467 1.00 0.23 C ATOM 514 O TYR A 37 10.729 -1.932 7.520 1.00 0.23 O ATOM 515 CB TYR A 37 10.497 -5.048 7.243 1.00 0.38 C ATOM 516 CG TYR A 37 11.101 -5.921 8.324 1.00 0.44 C ATOM 517 CD1 TYR A 37 11.841 -5.344 9.345 1.00 1.16 C ATOM 518 CD2 TYR A 37 10.966 -7.303 8.312 1.00 0.68 C ATOM 519 CE1 TYR A 37 12.422 -6.115 10.330 1.00 1.53 C ATOM 520 CE2 TYR A 37 11.549 -8.083 9.293 1.00 0.74 C ATOM 521 CZ TYR A 37 12.139 -7.564 10.311 1.00 1.12 C ATOM 522 OH TYR A 37 12.862 -8.256 11.279 1.00 1.50 O ATOM 0 H TYR A 37 12.964 -5.451 6.618 1.00 0.26 H new ATOM 0 HA TYR A 37 10.928 -3.725 5.665 1.00 0.27 H new ATOM 0 HB2 TYR A 37 9.645 -4.518 7.670 1.00 0.38 H new ATOM 0 HB3 TYR A 37 10.108 -5.698 6.459 1.00 0.38 H new ATOM 0 HD1 TYR A 37 11.965 -4.271 9.369 1.00 1.16 H new ATOM 0 HD2 TYR A 37 10.397 -7.775 7.525 1.00 0.68 H new ATOM 0 HE1 TYR A 37 13.058 -5.677 11.085 1.00 1.53 H new ATOM 0 HE2 TYR A 37 11.508 -9.158 9.202 1.00 0.74 H new ATOM 0 HH TYR A 37 12.643 -9.210 11.231 1.00 1.50 H new ATOM 532 N GLU A 38 12.753 -2.667 8.119 1.00 0.23 N ATOM 533 CA GLU A 38 13.075 -1.469 8.883 1.00 0.24 C ATOM 534 C GLU A 38 13.293 -0.298 7.936 1.00 0.24 C ATOM 535 O GLU A 38 12.719 0.778 8.118 1.00 0.26 O ATOM 536 CB GLU A 38 14.326 -1.683 9.733 1.00 0.29 C ATOM 537 CG GLU A 38 14.155 -2.713 10.831 1.00 0.35 C ATOM 538 CD GLU A 38 15.431 -2.928 11.613 1.00 0.67 C ATOM 539 OE1 GLU A 38 15.774 -2.063 12.444 1.00 0.93 O ATOM 540 OE2 GLU A 38 16.097 -3.963 11.408 1.00 0.96 O ATOM 0 H GLU A 38 13.476 -3.386 8.133 1.00 0.23 H new ATOM 0 HA GLU A 38 12.239 -1.252 9.548 1.00 0.24 H new ATOM 0 HB2 GLU A 38 15.146 -1.991 9.084 1.00 0.29 H new ATOM 0 HB3 GLU A 38 14.615 -0.733 10.182 1.00 0.29 H new ATOM 0 HG2 GLU A 38 13.365 -2.391 11.509 1.00 0.35 H new ATOM 0 HG3 GLU A 38 13.835 -3.659 10.394 1.00 0.35 H new ATOM 547 N ASP A 39 14.115 -0.521 6.915 1.00 0.24 N ATOM 548 CA ASP A 39 14.373 0.505 5.902 1.00 0.26 C ATOM 549 C ASP A 39 13.105 0.776 5.101 1.00 0.22 C ATOM 550 O ASP A 39 12.855 1.896 4.657 1.00 0.23 O ATOM 551 CB ASP A 39 15.495 0.070 4.950 1.00 0.31 C ATOM 552 CG ASP A 39 16.831 -0.123 5.636 1.00 0.61 C ATOM 553 OD1 ASP A 39 17.090 -1.238 6.131 1.00 0.82 O ATOM 554 OD2 ASP A 39 17.638 0.831 5.663 1.00 0.91 O ATOM 0 H ASP A 39 14.613 -1.398 6.765 1.00 0.24 H new ATOM 0 HA ASP A 39 14.685 1.415 6.415 1.00 0.26 H new ATOM 0 HB2 ASP A 39 15.207 -0.863 4.465 1.00 0.31 H new ATOM 0 HB3 ASP A 39 15.604 0.818 4.164 1.00 0.31 H new ATOM 559 N ALA A 40 12.308 -0.267 4.935 1.00 0.19 N ATOM 560 CA ALA A 40 11.048 -0.182 4.206 1.00 0.18 C ATOM 561 C ALA A 40 10.011 0.588 5.007 1.00 0.16 C ATOM 562 O ALA A 40 9.255 1.385 4.454 1.00 0.17 O ATOM 563 CB ALA A 40 10.529 -1.570 3.867 1.00 0.18 C ATOM 0 H ALA A 40 12.514 -1.197 5.301 1.00 0.19 H new ATOM 0 HA ALA A 40 11.233 0.356 3.276 1.00 0.18 H new ATOM 0 HB1 ALA A 40 9.588 -1.484 3.323 1.00 0.18 H new ATOM 0 HB2 ALA A 40 11.260 -2.090 3.248 1.00 0.18 H new ATOM 0 HB3 ALA A 40 10.367 -2.132 4.787 1.00 0.18 H new ATOM 569 N ILE A 41 9.967 0.342 6.313 1.00 0.16 N ATOM 570 CA ILE A 41 9.106 1.113 7.195 1.00 0.18 C ATOM 571 C ILE A 41 9.534 2.568 7.168 1.00 0.20 C ATOM 572 O ILE A 41 8.701 3.468 7.211 1.00 0.21 O ATOM 573 CB ILE A 41 9.115 0.579 8.654 1.00 0.22 C ATOM 574 CG1 ILE A 41 8.382 -0.762 8.738 1.00 0.24 C ATOM 575 CG2 ILE A 41 8.475 1.582 9.606 1.00 0.27 C ATOM 576 CD1 ILE A 41 8.412 -1.393 10.114 1.00 0.30 C ATOM 0 H ILE A 41 10.515 -0.381 6.779 1.00 0.16 H new ATOM 0 HA ILE A 41 8.084 1.014 6.830 1.00 0.18 H new ATOM 0 HB ILE A 41 10.154 0.435 8.952 1.00 0.22 H new ATOM 0 HG12 ILE A 41 7.344 -0.617 8.438 1.00 0.24 H new ATOM 0 HG13 ILE A 41 8.827 -1.453 8.022 1.00 0.24 H new ATOM 0 HG21 ILE A 41 8.494 1.184 10.621 1.00 0.27 H new ATOM 0 HG22 ILE A 41 9.030 2.520 9.574 1.00 0.27 H new ATOM 0 HG23 ILE A 41 7.443 1.761 9.306 1.00 0.27 H new ATOM 0 HD11 ILE A 41 7.872 -2.339 10.092 1.00 0.30 H new ATOM 0 HD12 ILE A 41 9.446 -1.572 10.410 1.00 0.30 H new ATOM 0 HD13 ILE A 41 7.940 -0.722 10.832 1.00 0.30 H new ATOM 588 N LYS A 42 10.836 2.797 7.037 1.00 0.22 N ATOM 589 CA LYS A 42 11.345 4.153 6.934 1.00 0.28 C ATOM 590 C LYS A 42 10.865 4.822 5.655 1.00 0.28 C ATOM 591 O LYS A 42 10.847 6.042 5.554 1.00 0.37 O ATOM 592 CB LYS A 42 12.862 4.190 6.990 1.00 0.31 C ATOM 593 CG LYS A 42 13.391 4.485 8.376 1.00 0.85 C ATOM 594 CD LYS A 42 14.846 4.917 8.332 1.00 1.14 C ATOM 595 CE LYS A 42 15.002 6.214 7.547 1.00 1.46 C ATOM 596 NZ LYS A 42 16.390 6.729 7.572 1.00 2.32 N ATOM 0 H LYS A 42 11.549 2.068 7.000 1.00 0.22 H new ATOM 0 HA LYS A 42 10.956 4.702 7.791 1.00 0.28 H new ATOM 0 HB2 LYS A 42 13.257 3.232 6.652 1.00 0.31 H new ATOM 0 HB3 LYS A 42 13.228 4.948 6.298 1.00 0.31 H new ATOM 0 HG2 LYS A 42 12.791 5.269 8.837 1.00 0.85 H new ATOM 0 HG3 LYS A 42 13.292 3.598 9.002 1.00 0.85 H new ATOM 0 HD2 LYS A 42 15.220 5.053 9.347 1.00 1.14 H new ATOM 0 HD3 LYS A 42 15.449 4.134 7.872 1.00 1.14 H new ATOM 0 HE2 LYS A 42 14.698 6.048 6.513 1.00 1.46 H new ATOM 0 HE3 LYS A 42 14.331 6.967 7.959 1.00 1.46 H new ATOM 0 HZ1 LYS A 42 16.443 7.612 7.024 1.00 2.32 H new ATOM 0 HZ2 LYS A 42 16.674 6.914 8.555 1.00 2.32 H new ATOM 0 HZ3 LYS A 42 17.030 6.023 7.154 1.00 2.32 H new ATOM 610 N GLU A 43 10.479 4.012 4.683 1.00 0.22 N ATOM 611 CA GLU A 43 9.963 4.523 3.426 1.00 0.25 C ATOM 612 C GLU A 43 8.464 4.736 3.547 1.00 0.18 C ATOM 613 O GLU A 43 7.959 5.847 3.376 1.00 0.18 O ATOM 614 CB GLU A 43 10.248 3.541 2.288 1.00 0.33 C ATOM 615 CG GLU A 43 9.689 3.987 0.945 1.00 0.34 C ATOM 616 CD GLU A 43 10.747 4.571 0.037 1.00 0.55 C ATOM 617 OE1 GLU A 43 11.686 3.838 -0.340 1.00 1.02 O ATOM 618 OE2 GLU A 43 10.659 5.768 -0.292 1.00 0.94 O ATOM 0 H GLU A 43 10.514 2.994 4.742 1.00 0.22 H new ATOM 0 HA GLU A 43 10.456 5.469 3.202 1.00 0.25 H new ATOM 0 HB2 GLU A 43 11.326 3.406 2.197 1.00 0.33 H new ATOM 0 HB3 GLU A 43 9.826 2.569 2.543 1.00 0.33 H new ATOM 0 HG2 GLU A 43 9.221 3.136 0.450 1.00 0.34 H new ATOM 0 HG3 GLU A 43 8.908 4.729 1.110 1.00 0.34 H new ATOM 625 N LEU A 44 7.769 3.654 3.881 1.00 0.16 N ATOM 626 CA LEU A 44 6.318 3.654 3.952 1.00 0.15 C ATOM 627 C LEU A 44 5.816 4.705 4.939 1.00 0.14 C ATOM 628 O LEU A 44 4.825 5.380 4.679 1.00 0.16 O ATOM 629 CB LEU A 44 5.807 2.266 4.354 1.00 0.13 C ATOM 630 CG LEU A 44 4.301 2.053 4.185 1.00 0.15 C ATOM 631 CD1 LEU A 44 3.901 2.220 2.733 1.00 0.17 C ATOM 632 CD2 LEU A 44 3.896 0.678 4.675 1.00 0.14 C ATOM 0 H LEU A 44 8.197 2.757 4.109 1.00 0.16 H new ATOM 0 HA LEU A 44 5.931 3.904 2.964 1.00 0.15 H new ATOM 0 HB2 LEU A 44 6.333 1.517 3.762 1.00 0.13 H new ATOM 0 HB3 LEU A 44 6.068 2.088 5.397 1.00 0.13 H new ATOM 0 HG LEU A 44 3.785 2.804 4.783 1.00 0.15 H new ATOM 0 HD11 LEU A 44 2.827 2.065 2.631 1.00 0.17 H new ATOM 0 HD12 LEU A 44 4.156 3.226 2.399 1.00 0.17 H new ATOM 0 HD13 LEU A 44 4.432 1.489 2.123 1.00 0.17 H new ATOM 0 HD21 LEU A 44 2.822 0.548 4.546 1.00 0.14 H new ATOM 0 HD22 LEU A 44 4.426 -0.083 4.102 1.00 0.14 H new ATOM 0 HD23 LEU A 44 4.149 0.579 5.731 1.00 0.14 H new ATOM 644 N GLN A 45 6.526 4.854 6.059 1.00 0.14 N ATOM 645 CA GLN A 45 6.139 5.801 7.106 1.00 0.14 C ATOM 646 C GLN A 45 6.242 7.244 6.637 1.00 0.17 C ATOM 647 O GLN A 45 5.514 8.107 7.119 1.00 0.27 O ATOM 648 CB GLN A 45 6.999 5.600 8.355 1.00 0.16 C ATOM 649 CG GLN A 45 6.359 4.698 9.395 1.00 0.22 C ATOM 650 CD GLN A 45 5.436 5.457 10.328 1.00 0.36 C ATOM 651 OE1 GLN A 45 5.869 5.967 11.363 1.00 0.87 O ATOM 652 NE2 GLN A 45 4.163 5.535 9.976 1.00 0.44 N ATOM 0 H GLN A 45 7.376 4.328 6.264 1.00 0.14 H new ATOM 0 HA GLN A 45 5.095 5.602 7.348 1.00 0.14 H new ATOM 0 HB2 GLN A 45 7.959 5.177 8.060 1.00 0.16 H new ATOM 0 HB3 GLN A 45 7.204 6.571 8.805 1.00 0.16 H new ATOM 0 HG2 GLN A 45 5.797 3.911 8.893 1.00 0.22 H new ATOM 0 HG3 GLN A 45 7.140 4.210 9.978 1.00 0.22 H new ATOM 0 HE21 GLN A 45 3.846 5.099 9.110 1.00 0.44 H new ATOM 0 HE22 GLN A 45 3.499 6.032 10.570 1.00 0.44 H new ATOM 661 N LYS A 46 7.142 7.509 5.704 1.00 0.14 N ATOM 662 CA LYS A 46 7.295 8.854 5.177 1.00 0.17 C ATOM 663 C LYS A 46 6.183 9.153 4.186 1.00 0.18 C ATOM 664 O LYS A 46 5.583 10.224 4.217 1.00 0.21 O ATOM 665 CB LYS A 46 8.660 9.031 4.505 1.00 0.22 C ATOM 666 CG LYS A 46 9.839 8.892 5.453 1.00 0.27 C ATOM 667 CD LYS A 46 11.163 9.116 4.737 1.00 0.39 C ATOM 668 CE LYS A 46 12.348 8.997 5.686 1.00 0.49 C ATOM 669 NZ LYS A 46 12.204 9.885 6.870 1.00 1.31 N ATOM 0 H LYS A 46 7.772 6.817 5.299 1.00 0.14 H new ATOM 0 HA LYS A 46 7.233 9.555 6.009 1.00 0.17 H new ATOM 0 HB2 LYS A 46 8.759 8.294 3.708 1.00 0.22 H new ATOM 0 HB3 LYS A 46 8.698 10.014 4.036 1.00 0.22 H new ATOM 0 HG2 LYS A 46 9.739 9.610 6.267 1.00 0.27 H new ATOM 0 HG3 LYS A 46 9.831 7.899 5.902 1.00 0.27 H new ATOM 0 HD2 LYS A 46 11.268 8.389 3.932 1.00 0.39 H new ATOM 0 HD3 LYS A 46 11.164 10.104 4.276 1.00 0.39 H new ATOM 0 HE2 LYS A 46 12.445 7.963 6.018 1.00 0.49 H new ATOM 0 HE3 LYS A 46 13.265 9.248 5.154 1.00 0.49 H new ATOM 0 HZ1 LYS A 46 13.137 10.257 7.140 1.00 1.31 H new ATOM 0 HZ2 LYS A 46 11.571 10.676 6.636 1.00 1.31 H new ATOM 0 HZ3 LYS A 46 11.804 9.344 7.663 1.00 1.31 H new ATOM 683 N TRP A 47 5.913 8.203 3.305 1.00 0.16 N ATOM 684 CA TRP A 47 4.838 8.355 2.340 1.00 0.19 C ATOM 685 C TRP A 47 3.477 8.391 3.016 1.00 0.19 C ATOM 686 O TRP A 47 2.667 9.260 2.711 1.00 0.22 O ATOM 687 CB TRP A 47 4.914 7.254 1.287 1.00 0.20 C ATOM 688 CG TRP A 47 6.211 7.313 0.558 1.00 0.20 C ATOM 689 CD1 TRP A 47 7.159 6.340 0.470 1.00 0.18 C ATOM 690 CD2 TRP A 47 6.724 8.446 -0.151 1.00 0.30 C ATOM 691 NE1 TRP A 47 8.232 6.800 -0.246 1.00 0.24 N ATOM 692 CE2 TRP A 47 7.987 8.089 -0.641 1.00 0.32 C ATOM 693 CE3 TRP A 47 6.236 9.729 -0.420 1.00 0.41 C ATOM 694 CZ2 TRP A 47 8.770 8.963 -1.381 1.00 0.43 C ATOM 695 CZ3 TRP A 47 7.014 10.597 -1.157 1.00 0.52 C ATOM 696 CH2 TRP A 47 8.272 10.211 -1.630 1.00 0.52 C ATOM 0 H TRP A 47 6.422 7.322 3.239 1.00 0.16 H new ATOM 0 HA TRP A 47 4.964 9.315 1.839 1.00 0.19 H new ATOM 0 HB2 TRP A 47 4.803 6.280 1.763 1.00 0.20 H new ATOM 0 HB3 TRP A 47 4.089 7.360 0.582 1.00 0.20 H new ATOM 0 HD1 TRP A 47 7.077 5.353 0.900 1.00 0.18 H new ATOM 0 HE1 TRP A 47 9.078 6.268 -0.452 1.00 0.24 H new ATOM 0 HE3 TRP A 47 5.266 10.035 -0.057 1.00 0.41 H new ATOM 0 HZ2 TRP A 47 9.741 8.667 -1.748 1.00 0.43 H new ATOM 0 HZ3 TRP A 47 6.646 11.589 -1.372 1.00 0.52 H new ATOM 0 HH2 TRP A 47 8.861 10.912 -2.203 1.00 0.52 H new ATOM 707 N SER A 48 3.232 7.487 3.956 1.00 0.17 N ATOM 708 CA SER A 48 1.971 7.485 4.677 1.00 0.19 C ATOM 709 C SER A 48 1.847 8.755 5.515 1.00 0.20 C ATOM 710 O SER A 48 0.744 9.192 5.843 1.00 0.28 O ATOM 711 CB SER A 48 1.836 6.230 5.550 1.00 0.23 C ATOM 712 OG SER A 48 2.820 6.176 6.569 1.00 0.82 O ATOM 0 H SER A 48 3.884 6.754 4.233 1.00 0.17 H new ATOM 0 HA SER A 48 1.157 7.467 3.953 1.00 0.19 H new ATOM 0 HB2 SER A 48 0.845 6.210 6.003 1.00 0.23 H new ATOM 0 HB3 SER A 48 1.917 5.343 4.922 1.00 0.23 H new ATOM 0 HG SER A 48 2.603 5.454 7.195 1.00 0.82 H new ATOM 718 N GLN A 49 2.989 9.350 5.848 1.00 0.17 N ATOM 719 CA GLN A 49 3.009 10.635 6.526 1.00 0.17 C ATOM 720 C GLN A 49 2.626 11.735 5.553 1.00 0.18 C ATOM 721 O GLN A 49 1.677 12.471 5.782 1.00 0.21 O ATOM 722 CB GLN A 49 4.398 10.946 7.083 1.00 0.19 C ATOM 723 CG GLN A 49 4.379 12.028 8.148 1.00 0.23 C ATOM 724 CD GLN A 49 5.763 12.539 8.482 1.00 0.36 C ATOM 725 OE1 GLN A 49 6.441 12.006 9.359 1.00 0.53 O ATOM 726 NE2 GLN A 49 6.190 13.581 7.788 1.00 0.45 N ATOM 0 H GLN A 49 3.912 8.959 5.657 1.00 0.17 H new ATOM 0 HA GLN A 49 2.297 10.586 7.350 1.00 0.17 H new ATOM 0 HB2 GLN A 49 4.827 10.037 7.504 1.00 0.19 H new ATOM 0 HB3 GLN A 49 5.050 11.258 6.267 1.00 0.19 H new ATOM 0 HG2 GLN A 49 3.762 12.859 7.806 1.00 0.23 H new ATOM 0 HG3 GLN A 49 3.913 11.635 9.052 1.00 0.23 H new ATOM 0 HE21 GLN A 49 5.595 13.993 7.069 1.00 0.45 H new ATOM 0 HE22 GLN A 49 7.114 13.972 7.972 1.00 0.45 H new ATOM 735 N ARG A 50 3.373 11.823 4.457 1.00 0.16 N ATOM 736 CA ARG A 50 3.184 12.877 3.468 1.00 0.16 C ATOM 737 C ARG A 50 1.791 12.830 2.849 1.00 0.14 C ATOM 738 O ARG A 50 1.164 13.865 2.633 1.00 0.15 O ATOM 739 CB ARG A 50 4.235 12.773 2.369 1.00 0.15 C ATOM 740 CG ARG A 50 5.652 13.054 2.832 1.00 0.19 C ATOM 741 CD ARG A 50 6.628 12.912 1.680 1.00 0.20 C ATOM 742 NE ARG A 50 7.982 13.327 2.043 1.00 0.27 N ATOM 743 CZ ARG A 50 8.931 13.620 1.156 1.00 0.33 C ATOM 744 NH1 ARG A 50 8.678 13.531 -0.143 1.00 0.35 N ATOM 745 NH2 ARG A 50 10.133 14.006 1.563 1.00 0.42 N ATOM 0 H ARG A 50 4.122 11.169 4.231 1.00 0.16 H new ATOM 0 HA ARG A 50 3.293 13.829 3.987 1.00 0.16 H new ATOM 0 HB2 ARG A 50 4.197 11.772 1.940 1.00 0.15 H new ATOM 0 HB3 ARG A 50 3.980 13.471 1.572 1.00 0.15 H new ATOM 0 HG2 ARG A 50 5.712 14.061 3.245 1.00 0.19 H new ATOM 0 HG3 ARG A 50 5.922 12.365 3.632 1.00 0.19 H new ATOM 0 HD2 ARG A 50 6.646 11.874 1.348 1.00 0.20 H new ATOM 0 HD3 ARG A 50 6.281 13.510 0.837 1.00 0.20 H new ATOM 0 HE ARG A 50 8.213 13.396 3.034 1.00 0.27 H new ATOM 0 HH11 ARG A 50 7.755 13.238 -0.464 1.00 0.35 H new ATOM 0 HH12 ARG A 50 9.406 13.756 -0.821 1.00 0.35 H new ATOM 0 HH21 ARG A 50 10.334 14.080 2.560 1.00 0.42 H new ATOM 0 HH22 ARG A 50 10.856 14.229 0.879 1.00 0.42 H new ATOM 759 N ILE A 51 1.321 11.629 2.549 1.00 0.13 N ATOM 760 CA ILE A 51 -0.026 11.442 2.024 1.00 0.13 C ATOM 761 C ILE A 51 -1.067 11.946 3.027 1.00 0.16 C ATOM 762 O ILE A 51 -2.089 12.520 2.644 1.00 0.20 O ATOM 763 CB ILE A 51 -0.289 9.957 1.683 1.00 0.13 C ATOM 764 CG1 ILE A 51 0.648 9.497 0.561 1.00 0.12 C ATOM 765 CG2 ILE A 51 -1.738 9.744 1.280 1.00 0.15 C ATOM 766 CD1 ILE A 51 0.597 8.007 0.294 1.00 0.13 C ATOM 0 H ILE A 51 1.853 10.766 2.660 1.00 0.13 H new ATOM 0 HA ILE A 51 -0.111 12.023 1.106 1.00 0.13 H new ATOM 0 HB ILE A 51 -0.091 9.361 2.574 1.00 0.13 H new ATOM 0 HG12 ILE A 51 0.392 10.030 -0.355 1.00 0.12 H new ATOM 0 HG13 ILE A 51 1.670 9.776 0.817 1.00 0.12 H new ATOM 0 HG21 ILE A 51 -1.899 8.692 1.045 1.00 0.15 H new ATOM 0 HG22 ILE A 51 -2.391 10.036 2.102 1.00 0.15 H new ATOM 0 HG23 ILE A 51 -1.965 10.351 0.403 1.00 0.15 H new ATOM 0 HD11 ILE A 51 1.287 7.758 -0.513 1.00 0.13 H new ATOM 0 HD12 ILE A 51 0.883 7.466 1.196 1.00 0.13 H new ATOM 0 HD13 ILE A 51 -0.415 7.723 0.006 1.00 0.13 H new ATOM 778 N ALA A 52 -0.791 11.747 4.308 1.00 0.16 N ATOM 779 CA ALA A 52 -1.675 12.214 5.368 1.00 0.20 C ATOM 780 C ALA A 52 -1.522 13.719 5.611 1.00 0.22 C ATOM 781 O ALA A 52 -2.503 14.413 5.887 1.00 0.27 O ATOM 782 CB ALA A 52 -1.399 11.441 6.649 1.00 0.21 C ATOM 0 H ALA A 52 0.043 11.263 4.640 1.00 0.16 H new ATOM 0 HA ALA A 52 -2.703 12.036 5.052 1.00 0.20 H new ATOM 0 HB1 ALA A 52 -2.063 11.795 7.438 1.00 0.21 H new ATOM 0 HB2 ALA A 52 -1.573 10.379 6.478 1.00 0.21 H new ATOM 0 HB3 ALA A 52 -0.363 11.595 6.951 1.00 0.21 H new ATOM 788 N SER A 53 -0.296 14.219 5.505 1.00 0.22 N ATOM 789 CA SER A 53 -0.005 15.615 5.810 1.00 0.26 C ATOM 790 C SER A 53 -0.405 16.541 4.662 1.00 0.28 C ATOM 791 O SER A 53 -0.762 17.699 4.888 1.00 0.35 O ATOM 792 CB SER A 53 1.485 15.782 6.125 1.00 0.28 C ATOM 793 OG SER A 53 2.292 15.331 5.048 1.00 0.26 O ATOM 0 H SER A 53 0.515 13.676 5.209 1.00 0.22 H new ATOM 0 HA SER A 53 -0.596 15.895 6.682 1.00 0.26 H new ATOM 0 HB2 SER A 53 1.701 16.831 6.330 1.00 0.28 H new ATOM 0 HB3 SER A 53 1.733 15.223 7.027 1.00 0.28 H new ATOM 0 HG SER A 53 3.235 15.503 5.251 1.00 0.26 H new ATOM 799 N GLY A 54 -0.353 16.031 3.440 1.00 0.25 N ATOM 800 CA GLY A 54 -0.710 16.835 2.287 1.00 0.28 C ATOM 801 C GLY A 54 0.496 17.195 1.440 1.00 0.26 C ATOM 802 O GLY A 54 0.367 17.893 0.433 1.00 0.30 O ATOM 0 H GLY A 54 -0.070 15.075 3.225 1.00 0.25 H new ATOM 0 HA2 GLY A 54 -1.430 16.291 1.676 1.00 0.28 H new ATOM 0 HA3 GLY A 54 -1.202 17.748 2.622 1.00 0.28 H new ATOM 806 N GLU A 55 1.666 16.711 1.850 1.00 0.23 N ATOM 807 CA GLU A 55 2.905 16.955 1.116 1.00 0.23 C ATOM 808 C GLU A 55 2.823 16.356 -0.286 1.00 0.20 C ATOM 809 O GLU A 55 3.094 17.032 -1.279 1.00 0.24 O ATOM 810 CB GLU A 55 4.097 16.371 1.878 1.00 0.24 C ATOM 811 CG GLU A 55 4.357 17.052 3.213 1.00 0.42 C ATOM 812 CD GLU A 55 5.435 16.362 4.027 1.00 0.46 C ATOM 813 OE1 GLU A 55 6.619 16.424 3.628 1.00 0.54 O ATOM 814 OE2 GLU A 55 5.105 15.748 5.064 1.00 0.65 O ATOM 0 H GLU A 55 1.782 16.145 2.691 1.00 0.23 H new ATOM 0 HA GLU A 55 3.046 18.032 1.022 1.00 0.23 H new ATOM 0 HB2 GLU A 55 3.923 15.309 2.049 1.00 0.24 H new ATOM 0 HB3 GLU A 55 4.990 16.452 1.258 1.00 0.24 H new ATOM 0 HG2 GLU A 55 4.649 18.087 3.036 1.00 0.42 H new ATOM 0 HG3 GLU A 55 3.432 17.075 3.790 1.00 0.42 H new ATOM 821 N VAL A 56 2.444 15.088 -0.359 1.00 0.17 N ATOM 822 CA VAL A 56 2.205 14.426 -1.637 1.00 0.15 C ATOM 823 C VAL A 56 0.916 13.635 -1.565 1.00 0.15 C ATOM 824 O VAL A 56 0.511 13.198 -0.487 1.00 0.19 O ATOM 825 CB VAL A 56 3.348 13.468 -2.053 1.00 0.15 C ATOM 826 CG1 VAL A 56 4.604 14.239 -2.413 1.00 0.18 C ATOM 827 CG2 VAL A 56 3.641 12.453 -0.963 1.00 0.15 C ATOM 0 H VAL A 56 2.294 14.493 0.456 1.00 0.17 H new ATOM 0 HA VAL A 56 2.147 15.214 -2.388 1.00 0.15 H new ATOM 0 HB VAL A 56 3.014 12.927 -2.938 1.00 0.15 H new ATOM 0 HG11 VAL A 56 5.390 13.541 -2.701 1.00 0.18 H new ATOM 0 HG12 VAL A 56 4.393 14.911 -3.245 1.00 0.18 H new ATOM 0 HG13 VAL A 56 4.933 14.820 -1.552 1.00 0.18 H new ATOM 0 HG21 VAL A 56 4.448 11.795 -1.286 1.00 0.15 H new ATOM 0 HG22 VAL A 56 3.939 12.973 -0.052 1.00 0.15 H new ATOM 0 HG23 VAL A 56 2.747 11.861 -0.767 1.00 0.15 H new ATOM 837 N SER A 57 0.270 13.454 -2.699 1.00 0.13 N ATOM 838 CA SER A 57 -0.958 12.695 -2.748 1.00 0.15 C ATOM 839 C SER A 57 -0.636 11.210 -2.812 1.00 0.15 C ATOM 840 O SER A 57 0.487 10.843 -3.172 1.00 0.18 O ATOM 841 CB SER A 57 -1.797 13.124 -3.953 1.00 0.22 C ATOM 842 OG SER A 57 -2.001 14.527 -3.946 1.00 0.97 O ATOM 0 H SER A 57 0.577 13.824 -3.599 1.00 0.13 H new ATOM 0 HA SER A 57 -1.539 12.888 -1.847 1.00 0.15 H new ATOM 0 HB2 SER A 57 -1.296 12.829 -4.875 1.00 0.22 H new ATOM 0 HB3 SER A 57 -2.759 12.611 -3.934 1.00 0.22 H new ATOM 0 HG SER A 57 -2.538 14.783 -4.725 1.00 0.97 H new ATOM 848 N PHE A 58 -1.596 10.364 -2.461 1.00 0.16 N ATOM 849 CA PHE A 58 -1.374 8.922 -2.461 1.00 0.16 C ATOM 850 C PHE A 58 -0.881 8.477 -3.833 1.00 0.18 C ATOM 851 O PHE A 58 0.032 7.656 -3.953 1.00 0.19 O ATOM 852 CB PHE A 58 -2.671 8.192 -2.101 1.00 0.18 C ATOM 853 CG PHE A 58 -2.460 6.822 -1.518 1.00 0.17 C ATOM 854 CD1 PHE A 58 -1.915 5.802 -2.277 1.00 0.18 C ATOM 855 CD2 PHE A 58 -2.817 6.555 -0.206 1.00 0.19 C ATOM 856 CE1 PHE A 58 -1.728 4.546 -1.741 1.00 0.20 C ATOM 857 CE2 PHE A 58 -2.633 5.300 0.336 1.00 0.21 C ATOM 858 CZ PHE A 58 -2.088 4.295 -0.433 1.00 0.22 C ATOM 0 H PHE A 58 -2.532 10.649 -2.174 1.00 0.16 H new ATOM 0 HA PHE A 58 -0.617 8.676 -1.716 1.00 0.16 H new ATOM 0 HB2 PHE A 58 -3.230 8.797 -1.388 1.00 0.18 H new ATOM 0 HB3 PHE A 58 -3.287 8.104 -2.996 1.00 0.18 H new ATOM 0 HD1 PHE A 58 -1.633 5.992 -3.302 1.00 0.18 H new ATOM 0 HD2 PHE A 58 -3.245 7.340 0.400 1.00 0.19 H new ATOM 0 HE1 PHE A 58 -1.300 3.759 -2.344 1.00 0.20 H new ATOM 0 HE2 PHE A 58 -2.915 5.106 1.360 1.00 0.21 H new ATOM 0 HZ PHE A 58 -1.943 3.311 -0.012 1.00 0.22 H new ATOM 868 N GLU A 59 -1.475 9.080 -4.854 1.00 0.20 N ATOM 869 CA GLU A 59 -1.155 8.792 -6.247 1.00 0.22 C ATOM 870 C GLU A 59 0.332 8.983 -6.526 1.00 0.24 C ATOM 871 O GLU A 59 0.971 8.139 -7.154 1.00 0.31 O ATOM 872 CB GLU A 59 -1.958 9.724 -7.156 1.00 0.27 C ATOM 873 CG GLU A 59 -3.428 9.815 -6.787 1.00 0.36 C ATOM 874 CD GLU A 59 -4.178 10.823 -7.627 1.00 0.87 C ATOM 875 OE1 GLU A 59 -4.011 12.037 -7.395 1.00 0.96 O ATOM 876 OE2 GLU A 59 -4.941 10.406 -8.524 1.00 1.72 O ATOM 0 H GLU A 59 -2.199 9.789 -4.738 1.00 0.20 H new ATOM 0 HA GLU A 59 -1.412 7.752 -6.446 1.00 0.22 H new ATOM 0 HB2 GLU A 59 -1.520 10.721 -7.118 1.00 0.27 H new ATOM 0 HB3 GLU A 59 -1.871 9.377 -8.186 1.00 0.27 H new ATOM 0 HG2 GLU A 59 -3.889 8.835 -6.905 1.00 0.36 H new ATOM 0 HG3 GLU A 59 -3.518 10.086 -5.735 1.00 0.36 H new ATOM 883 N GLU A 60 0.878 10.090 -6.036 1.00 0.23 N ATOM 884 CA GLU A 60 2.247 10.474 -6.348 1.00 0.24 C ATOM 885 C GLU A 60 3.241 9.480 -5.771 1.00 0.23 C ATOM 886 O GLU A 60 4.146 9.022 -6.467 1.00 0.26 O ATOM 887 CB GLU A 60 2.533 11.875 -5.809 1.00 0.25 C ATOM 888 CG GLU A 60 1.469 12.891 -6.188 1.00 0.29 C ATOM 889 CD GLU A 60 1.313 13.052 -7.687 1.00 1.18 C ATOM 890 OE1 GLU A 60 0.813 12.113 -8.334 1.00 2.09 O ATOM 891 OE2 GLU A 60 1.700 14.110 -8.227 1.00 1.24 O ATOM 0 H GLU A 60 0.390 10.739 -5.419 1.00 0.23 H new ATOM 0 HA GLU A 60 2.361 10.475 -7.432 1.00 0.24 H new ATOM 0 HB2 GLU A 60 2.613 11.830 -4.723 1.00 0.25 H new ATOM 0 HB3 GLU A 60 3.499 12.212 -6.186 1.00 0.25 H new ATOM 0 HG2 GLU A 60 0.514 12.586 -5.759 1.00 0.29 H new ATOM 0 HG3 GLU A 60 1.722 13.856 -5.749 1.00 0.29 H new ATOM 898 N ALA A 61 3.062 9.137 -4.504 1.00 0.22 N ATOM 899 CA ALA A 61 3.959 8.209 -3.838 1.00 0.23 C ATOM 900 C ALA A 61 3.831 6.811 -4.431 1.00 0.22 C ATOM 901 O ALA A 61 4.824 6.105 -4.602 1.00 0.26 O ATOM 902 CB ALA A 61 3.685 8.182 -2.343 1.00 0.24 C ATOM 0 H ALA A 61 2.304 9.488 -3.918 1.00 0.22 H new ATOM 0 HA ALA A 61 4.981 8.552 -3.995 1.00 0.23 H new ATOM 0 HB1 ALA A 61 4.367 7.481 -1.861 1.00 0.24 H new ATOM 0 HB2 ALA A 61 3.835 9.178 -1.928 1.00 0.24 H new ATOM 0 HB3 ALA A 61 2.656 7.867 -2.167 1.00 0.24 H new ATOM 908 N ALA A 62 2.605 6.427 -4.763 1.00 0.20 N ATOM 909 CA ALA A 62 2.337 5.107 -5.312 1.00 0.20 C ATOM 910 C ALA A 62 3.051 4.905 -6.646 1.00 0.21 C ATOM 911 O ALA A 62 3.802 3.946 -6.812 1.00 0.24 O ATOM 912 CB ALA A 62 0.839 4.897 -5.466 1.00 0.20 C ATOM 0 H ALA A 62 1.778 7.015 -4.660 1.00 0.20 H new ATOM 0 HA ALA A 62 2.725 4.364 -4.615 1.00 0.20 H new ATOM 0 HB1 ALA A 62 0.651 3.905 -5.878 1.00 0.20 H new ATOM 0 HB2 ALA A 62 0.358 4.983 -4.492 1.00 0.20 H new ATOM 0 HB3 ALA A 62 0.433 5.652 -6.139 1.00 0.20 H new ATOM 918 N SER A 63 2.839 5.829 -7.575 1.00 0.21 N ATOM 919 CA SER A 63 3.411 5.736 -8.918 1.00 0.23 C ATOM 920 C SER A 63 4.923 5.490 -8.906 1.00 0.24 C ATOM 921 O SER A 63 5.459 4.866 -9.824 1.00 0.27 O ATOM 922 CB SER A 63 3.099 7.012 -9.701 1.00 0.26 C ATOM 923 OG SER A 63 1.699 7.231 -9.778 1.00 1.00 O ATOM 0 H SER A 63 2.269 6.661 -7.423 1.00 0.21 H new ATOM 0 HA SER A 63 2.953 4.874 -9.402 1.00 0.23 H new ATOM 0 HB2 SER A 63 3.578 7.865 -9.220 1.00 0.26 H new ATOM 0 HB3 SER A 63 3.515 6.937 -10.706 1.00 0.26 H new ATOM 0 HG SER A 63 1.374 7.575 -8.920 1.00 1.00 H new ATOM 929 N GLN A 64 5.613 5.965 -7.879 1.00 0.24 N ATOM 930 CA GLN A 64 7.058 5.817 -7.825 1.00 0.27 C ATOM 931 C GLN A 64 7.443 4.621 -6.977 1.00 0.26 C ATOM 932 O GLN A 64 8.228 3.766 -7.383 1.00 0.29 O ATOM 933 CB GLN A 64 7.679 7.061 -7.212 1.00 0.31 C ATOM 934 CG GLN A 64 6.947 8.325 -7.583 1.00 0.35 C ATOM 935 CD GLN A 64 7.489 9.547 -6.880 1.00 0.42 C ATOM 936 OE1 GLN A 64 8.693 9.689 -6.682 1.00 0.61 O ATOM 937 NE2 GLN A 64 6.587 10.397 -6.442 1.00 0.35 N ATOM 0 H GLN A 64 5.201 6.450 -7.082 1.00 0.24 H new ATOM 0 HA GLN A 64 7.422 5.673 -8.842 1.00 0.27 H new ATOM 0 HB2 GLN A 64 7.690 6.959 -6.127 1.00 0.31 H new ATOM 0 HB3 GLN A 64 8.717 7.140 -7.535 1.00 0.31 H new ATOM 0 HG2 GLN A 64 7.012 8.473 -8.661 1.00 0.35 H new ATOM 0 HG3 GLN A 64 5.890 8.211 -7.340 1.00 0.35 H new ATOM 0 HE21 GLN A 64 5.598 10.235 -6.633 1.00 0.35 H new ATOM 0 HE22 GLN A 64 6.876 11.219 -5.912 1.00 0.35 H new ATOM 946 N ARG A 65 6.873 4.585 -5.792 1.00 0.26 N ATOM 947 CA ARG A 65 7.328 3.700 -4.742 1.00 0.28 C ATOM 948 C ARG A 65 6.578 2.372 -4.702 1.00 0.27 C ATOM 949 O ARG A 65 7.188 1.327 -4.477 1.00 0.32 O ATOM 950 CB ARG A 65 7.185 4.425 -3.410 1.00 0.33 C ATOM 951 CG ARG A 65 7.916 5.759 -3.384 1.00 0.37 C ATOM 952 CD ARG A 65 9.421 5.563 -3.535 1.00 0.43 C ATOM 953 NE ARG A 65 10.197 6.692 -3.025 1.00 0.58 N ATOM 954 CZ ARG A 65 11.101 7.373 -3.733 1.00 0.66 C ATOM 955 NH1 ARG A 65 11.299 7.100 -5.017 1.00 0.59 N ATOM 956 NH2 ARG A 65 11.808 8.334 -3.150 1.00 0.86 N ATOM 0 H ARG A 65 6.080 5.170 -5.529 1.00 0.26 H new ATOM 0 HA ARG A 65 8.369 3.449 -4.944 1.00 0.28 H new ATOM 0 HB2 ARG A 65 6.128 4.591 -3.204 1.00 0.33 H new ATOM 0 HB3 ARG A 65 7.570 3.789 -2.612 1.00 0.33 H new ATOM 0 HG2 ARG A 65 7.546 6.395 -4.188 1.00 0.37 H new ATOM 0 HG3 ARG A 65 7.705 6.275 -2.447 1.00 0.37 H new ATOM 0 HD2 ARG A 65 9.719 4.657 -3.008 1.00 0.43 H new ATOM 0 HD3 ARG A 65 9.659 5.412 -4.588 1.00 0.43 H new ATOM 0 HE ARG A 65 10.036 6.980 -2.060 1.00 0.58 H new ATOM 0 HH11 ARG A 65 10.758 6.364 -5.471 1.00 0.59 H new ATOM 0 HH12 ARG A 65 11.992 7.626 -5.549 1.00 0.59 H new ATOM 0 HH21 ARG A 65 11.660 8.550 -2.164 1.00 0.86 H new ATOM 0 HH22 ARG A 65 12.500 8.856 -3.688 1.00 0.86 H new ATOM 970 N SER A 66 5.265 2.407 -4.911 1.00 0.25 N ATOM 971 CA SER A 66 4.451 1.200 -4.762 1.00 0.25 C ATOM 972 C SER A 66 4.846 0.139 -5.785 1.00 0.23 C ATOM 973 O SER A 66 4.810 0.375 -6.991 1.00 0.24 O ATOM 974 CB SER A 66 2.948 1.507 -4.868 1.00 0.24 C ATOM 975 OG SER A 66 2.530 1.720 -6.204 1.00 0.82 O ATOM 0 H SER A 66 4.746 3.243 -5.180 1.00 0.25 H new ATOM 0 HA SER A 66 4.644 0.809 -3.763 1.00 0.25 H new ATOM 0 HB2 SER A 66 2.381 0.680 -4.441 1.00 0.24 H new ATOM 0 HB3 SER A 66 2.719 2.391 -4.274 1.00 0.24 H new ATOM 0 HG SER A 66 3.193 2.271 -6.670 1.00 0.82 H new ATOM 981 N ASP A 67 5.241 -1.024 -5.281 1.00 0.25 N ATOM 982 CA ASP A 67 5.593 -2.161 -6.124 1.00 0.28 C ATOM 983 C ASP A 67 4.344 -2.807 -6.711 1.00 0.31 C ATOM 984 O ASP A 67 4.411 -3.572 -7.671 1.00 0.48 O ATOM 985 CB ASP A 67 6.398 -3.183 -5.319 1.00 0.39 C ATOM 986 CG ASP A 67 6.738 -4.423 -6.120 1.00 1.59 C ATOM 987 OD1 ASP A 67 7.566 -4.325 -7.046 1.00 1.91 O ATOM 988 OD2 ASP A 67 6.185 -5.497 -5.821 1.00 2.28 O ATOM 0 H ASP A 67 5.326 -1.206 -4.281 1.00 0.25 H new ATOM 0 HA ASP A 67 6.207 -1.802 -6.950 1.00 0.28 H new ATOM 0 HB2 ASP A 67 7.319 -2.718 -4.968 1.00 0.39 H new ATOM 0 HB3 ASP A 67 5.830 -3.471 -4.435 1.00 0.39 H new ATOM 993 N CYS A 68 3.200 -2.468 -6.148 1.00 0.24 N ATOM 994 CA CYS A 68 1.939 -3.017 -6.602 1.00 0.26 C ATOM 995 C CYS A 68 1.490 -2.334 -7.882 1.00 0.27 C ATOM 996 O CYS A 68 1.780 -1.158 -8.107 1.00 0.38 O ATOM 997 CB CYS A 68 0.881 -2.851 -5.518 1.00 0.29 C ATOM 998 SG CYS A 68 0.831 -1.197 -4.789 1.00 1.52 S ATOM 0 H CYS A 68 3.119 -1.811 -5.372 1.00 0.24 H new ATOM 0 HA CYS A 68 2.074 -4.079 -6.808 1.00 0.26 H new ATOM 0 HB2 CYS A 68 -0.097 -3.081 -5.941 1.00 0.29 H new ATOM 0 HB3 CYS A 68 1.066 -3.580 -4.729 1.00 0.29 H new ATOM 0 HG CYS A 68 0.015 -0.448 -5.469 1.00 1.52 H new ATOM 1004 N GLY A 69 0.760 -3.093 -8.693 1.00 0.26 N ATOM 1005 CA GLY A 69 0.386 -2.681 -10.039 1.00 0.25 C ATOM 1006 C GLY A 69 -0.307 -1.336 -10.121 1.00 0.22 C ATOM 1007 O GLY A 69 -0.360 -0.733 -11.194 1.00 0.25 O ATOM 0 H GLY A 69 0.410 -4.015 -8.433 1.00 0.26 H new ATOM 0 HA2 GLY A 69 1.283 -2.650 -10.657 1.00 0.25 H new ATOM 0 HA3 GLY A 69 -0.270 -3.439 -10.467 1.00 0.25 H new ATOM 1011 N SER A 70 -0.827 -0.852 -9.004 1.00 0.21 N ATOM 1012 CA SER A 70 -1.515 0.424 -8.986 1.00 0.24 C ATOM 1013 C SER A 70 -0.539 1.603 -9.111 1.00 0.22 C ATOM 1014 O SER A 70 -0.967 2.757 -9.111 1.00 0.25 O ATOM 1015 CB SER A 70 -2.360 0.534 -7.716 1.00 0.31 C ATOM 1016 OG SER A 70 -1.550 0.414 -6.557 1.00 0.32 O ATOM 0 H SER A 70 -0.785 -1.324 -8.101 1.00 0.21 H new ATOM 0 HA SER A 70 -2.172 0.472 -9.854 1.00 0.24 H new ATOM 0 HB2 SER A 70 -2.881 1.491 -7.703 1.00 0.31 H new ATOM 0 HB3 SER A 70 -3.123 -0.244 -7.714 1.00 0.31 H new ATOM 0 HG SER A 70 -1.841 -0.362 -6.034 1.00 0.32 H new ATOM 1022 N TYR A 71 0.767 1.318 -9.223 1.00 0.20 N ATOM 1023 CA TYR A 71 1.767 2.360 -9.476 1.00 0.20 C ATOM 1024 C TYR A 71 1.375 3.185 -10.704 1.00 0.22 C ATOM 1025 O TYR A 71 1.484 4.407 -10.700 1.00 0.29 O ATOM 1026 CB TYR A 71 3.185 1.761 -9.669 1.00 0.21 C ATOM 1027 CG TYR A 71 3.329 0.813 -10.846 1.00 0.25 C ATOM 1028 CD1 TYR A 71 3.070 -0.543 -10.705 1.00 0.27 C ATOM 1029 CD2 TYR A 71 3.727 1.273 -12.098 1.00 0.35 C ATOM 1030 CE1 TYR A 71 3.198 -1.412 -11.769 1.00 0.36 C ATOM 1031 CE2 TYR A 71 3.855 0.407 -13.169 1.00 0.44 C ATOM 1032 CZ TYR A 71 3.587 -0.934 -12.997 1.00 0.43 C ATOM 1033 OH TYR A 71 3.707 -1.803 -14.057 1.00 0.54 O ATOM 0 H TYR A 71 1.152 0.377 -9.142 1.00 0.20 H new ATOM 0 HA TYR A 71 1.795 3.008 -8.600 1.00 0.20 H new ATOM 0 HB2 TYR A 71 3.894 2.579 -9.793 1.00 0.21 H new ATOM 0 HB3 TYR A 71 3.465 1.231 -8.759 1.00 0.21 H new ATOM 0 HD1 TYR A 71 2.762 -0.926 -9.743 1.00 0.27 H new ATOM 0 HD2 TYR A 71 3.939 2.323 -12.235 1.00 0.35 H new ATOM 0 HE1 TYR A 71 2.993 -2.464 -11.637 1.00 0.36 H new ATOM 0 HE2 TYR A 71 4.163 0.780 -14.135 1.00 0.44 H new ATOM 0 HH TYR A 71 3.989 -1.309 -14.855 1.00 0.54 H new ATOM 1043 N ALA A 72 0.887 2.515 -11.743 1.00 0.24 N ATOM 1044 CA ALA A 72 0.501 3.199 -12.971 1.00 0.30 C ATOM 1045 C ALA A 72 -0.989 3.513 -12.975 1.00 0.36 C ATOM 1046 O ALA A 72 -1.523 4.047 -13.948 1.00 0.49 O ATOM 1047 CB ALA A 72 0.873 2.361 -14.184 1.00 0.38 C ATOM 0 H ALA A 72 0.750 1.504 -11.759 1.00 0.24 H new ATOM 0 HA ALA A 72 1.045 4.143 -13.020 1.00 0.30 H new ATOM 0 HB1 ALA A 72 0.578 2.886 -15.093 1.00 0.38 H new ATOM 0 HB2 ALA A 72 1.950 2.194 -14.194 1.00 0.38 H new ATOM 0 HB3 ALA A 72 0.358 1.402 -14.135 1.00 0.38 H new ATOM 1053 N SER A 73 -1.657 3.179 -11.882 1.00 0.32 N ATOM 1054 CA SER A 73 -3.091 3.390 -11.771 1.00 0.44 C ATOM 1055 C SER A 73 -3.392 4.605 -10.901 1.00 0.49 C ATOM 1056 O SER A 73 -4.538 5.030 -10.793 1.00 0.71 O ATOM 1057 CB SER A 73 -3.755 2.148 -11.178 1.00 0.47 C ATOM 1058 OG SER A 73 -3.269 0.966 -11.796 1.00 0.62 O ATOM 0 H SER A 73 -1.227 2.760 -11.057 1.00 0.32 H new ATOM 0 HA SER A 73 -3.492 3.572 -12.768 1.00 0.44 H new ATOM 0 HB2 SER A 73 -3.564 2.107 -10.106 1.00 0.47 H new ATOM 0 HB3 SER A 73 -4.835 2.212 -11.307 1.00 0.47 H new ATOM 0 HG SER A 73 -3.707 0.185 -11.398 1.00 0.62 H new ATOM 1064 N GLY A 74 -2.356 5.166 -10.292 1.00 0.41 N ATOM 1065 CA GLY A 74 -2.539 6.290 -9.396 1.00 0.54 C ATOM 1066 C GLY A 74 -2.751 5.850 -7.963 1.00 0.45 C ATOM 1067 O GLY A 74 -3.287 6.596 -7.144 1.00 0.49 O ATOM 0 H GLY A 74 -1.389 4.861 -10.403 1.00 0.41 H new ATOM 0 HA2 GLY A 74 -1.666 6.941 -9.449 1.00 0.54 H new ATOM 0 HA3 GLY A 74 -3.396 6.878 -9.724 1.00 0.54 H new ATOM 1071 N GLY A 75 -2.344 4.624 -7.666 1.00 0.35 N ATOM 1072 CA GLY A 75 -2.476 4.098 -6.323 1.00 0.32 C ATOM 1073 C GLY A 75 -3.842 3.502 -6.061 1.00 0.20 C ATOM 1074 O GLY A 75 -3.970 2.535 -5.303 1.00 0.21 O ATOM 0 H GLY A 75 -1.922 3.981 -8.336 1.00 0.35 H new ATOM 0 HA2 GLY A 75 -1.714 3.336 -6.159 1.00 0.32 H new ATOM 0 HA3 GLY A 75 -2.288 4.896 -5.605 1.00 0.32 H new ATOM 1078 N ASP A 76 -4.860 4.060 -6.703 1.00 0.35 N ATOM 1079 CA ASP A 76 -6.230 3.634 -6.471 1.00 0.39 C ATOM 1080 C ASP A 76 -6.568 2.410 -7.289 1.00 0.32 C ATOM 1081 O ASP A 76 -6.084 2.225 -8.406 1.00 0.36 O ATOM 1082 CB ASP A 76 -7.246 4.744 -6.760 1.00 0.63 C ATOM 1083 CG ASP A 76 -7.269 5.194 -8.207 1.00 0.77 C ATOM 1084 OD1 ASP A 76 -6.387 5.993 -8.597 1.00 1.65 O ATOM 1085 OD2 ASP A 76 -8.145 4.732 -8.963 1.00 0.80 O ATOM 0 H ASP A 76 -4.761 4.809 -7.388 1.00 0.35 H new ATOM 0 HA ASP A 76 -6.296 3.387 -5.411 1.00 0.39 H new ATOM 0 HB2 ASP A 76 -8.240 4.394 -6.483 1.00 0.63 H new ATOM 0 HB3 ASP A 76 -7.022 5.602 -6.126 1.00 0.63 H new ATOM 1090 N LEU A 77 -7.386 1.571 -6.697 1.00 0.32 N ATOM 1091 CA LEU A 77 -7.830 0.348 -7.319 1.00 0.30 C ATOM 1092 C LEU A 77 -9.273 0.482 -7.781 1.00 0.32 C ATOM 1093 O LEU A 77 -9.908 1.514 -7.558 1.00 0.35 O ATOM 1094 CB LEU A 77 -7.679 -0.801 -6.323 1.00 0.32 C ATOM 1095 CG LEU A 77 -6.244 -1.257 -6.077 1.00 0.54 C ATOM 1096 CD1 LEU A 77 -6.224 -2.569 -5.309 1.00 0.94 C ATOM 1097 CD2 LEU A 77 -5.473 -1.370 -7.389 1.00 0.94 C ATOM 0 H LEU A 77 -7.765 1.721 -5.762 1.00 0.32 H new ATOM 0 HA LEU A 77 -7.219 0.140 -8.198 1.00 0.30 H new ATOM 0 HB2 LEU A 77 -8.116 -0.497 -5.372 1.00 0.32 H new ATOM 0 HB3 LEU A 77 -8.258 -1.652 -6.682 1.00 0.32 H new ATOM 0 HG LEU A 77 -5.745 -0.503 -5.468 1.00 0.54 H new ATOM 0 HD11 LEU A 77 -5.192 -2.878 -5.143 1.00 0.94 H new ATOM 0 HD12 LEU A 77 -6.722 -2.436 -4.348 1.00 0.94 H new ATOM 0 HD13 LEU A 77 -6.744 -3.335 -5.884 1.00 0.94 H new ATOM 0 HD21 LEU A 77 -4.453 -1.697 -7.185 1.00 0.94 H new ATOM 0 HD22 LEU A 77 -5.963 -2.096 -8.038 1.00 0.94 H new ATOM 0 HD23 LEU A 77 -5.451 -0.399 -7.883 1.00 0.94 H new ATOM 1109 N GLY A 78 -9.768 -0.545 -8.446 1.00 0.37 N ATOM 1110 CA GLY A 78 -11.145 -0.554 -8.899 1.00 0.39 C ATOM 1111 C GLY A 78 -12.088 -1.094 -7.841 1.00 0.34 C ATOM 1112 O GLY A 78 -11.811 -0.989 -6.647 1.00 0.44 O ATOM 0 H GLY A 78 -9.237 -1.383 -8.684 1.00 0.37 H new ATOM 0 HA2 GLY A 78 -11.444 0.459 -9.169 1.00 0.39 H new ATOM 0 HA3 GLY A 78 -11.226 -1.161 -9.801 1.00 0.39 H new ATOM 1116 N PHE A 79 -13.202 -1.670 -8.272 1.00 0.47 N ATOM 1117 CA PHE A 79 -14.174 -2.233 -7.343 1.00 0.46 C ATOM 1118 C PHE A 79 -13.959 -3.734 -7.170 1.00 0.45 C ATOM 1119 O PHE A 79 -13.977 -4.498 -8.136 1.00 0.61 O ATOM 1120 CB PHE A 79 -15.599 -1.950 -7.817 1.00 0.61 C ATOM 1121 CG PHE A 79 -15.900 -0.487 -7.941 1.00 1.69 C ATOM 1122 CD1 PHE A 79 -16.197 0.268 -6.819 1.00 2.78 C ATOM 1123 CD2 PHE A 79 -15.880 0.136 -9.178 1.00 1.73 C ATOM 1124 CE1 PHE A 79 -16.469 1.617 -6.928 1.00 3.87 C ATOM 1125 CE2 PHE A 79 -16.149 1.484 -9.293 1.00 2.78 C ATOM 1126 CZ PHE A 79 -16.444 2.225 -8.169 1.00 3.85 C ATOM 0 H PHE A 79 -13.455 -1.760 -9.256 1.00 0.47 H new ATOM 0 HA PHE A 79 -14.029 -1.754 -6.374 1.00 0.46 H new ATOM 0 HB2 PHE A 79 -15.756 -2.430 -8.783 1.00 0.61 H new ATOM 0 HB3 PHE A 79 -16.304 -2.402 -7.119 1.00 0.61 H new ATOM 0 HD1 PHE A 79 -16.216 -0.204 -5.848 1.00 2.78 H new ATOM 0 HD2 PHE A 79 -15.651 -0.440 -10.062 1.00 1.73 H new ATOM 0 HE1 PHE A 79 -16.701 2.196 -6.046 1.00 3.87 H new ATOM 0 HE2 PHE A 79 -16.128 1.958 -10.263 1.00 2.78 H new ATOM 0 HZ PHE A 79 -16.656 3.280 -8.258 1.00 3.85 H new ATOM 1136 N PHE A 80 -13.776 -4.143 -5.926 1.00 0.40 N ATOM 1137 CA PHE A 80 -13.477 -5.527 -5.585 1.00 0.45 C ATOM 1138 C PHE A 80 -14.330 -5.981 -4.413 1.00 0.46 C ATOM 1139 O PHE A 80 -14.851 -5.161 -3.665 1.00 0.55 O ATOM 1140 CB PHE A 80 -11.993 -5.674 -5.233 1.00 0.45 C ATOM 1141 CG PHE A 80 -11.409 -4.461 -4.560 1.00 0.62 C ATOM 1142 CD1 PHE A 80 -11.782 -4.143 -3.268 1.00 0.89 C ATOM 1143 CD2 PHE A 80 -10.484 -3.650 -5.204 1.00 1.01 C ATOM 1144 CE1 PHE A 80 -11.252 -3.040 -2.635 1.00 1.19 C ATOM 1145 CE2 PHE A 80 -9.950 -2.543 -4.564 1.00 1.28 C ATOM 1146 CZ PHE A 80 -10.329 -2.207 -3.355 1.00 1.31 C ATOM 0 H PHE A 80 -13.831 -3.522 -5.118 1.00 0.40 H new ATOM 0 HA PHE A 80 -13.704 -6.152 -6.449 1.00 0.45 H new ATOM 0 HB2 PHE A 80 -11.867 -6.537 -4.580 1.00 0.45 H new ATOM 0 HB3 PHE A 80 -11.431 -5.879 -6.144 1.00 0.45 H new ATOM 0 HD1 PHE A 80 -12.496 -4.765 -2.749 1.00 0.89 H new ATOM 0 HD2 PHE A 80 -10.178 -3.884 -6.213 1.00 1.01 H new ATOM 0 HE1 PHE A 80 -11.525 -2.806 -1.617 1.00 1.19 H new ATOM 0 HE2 PHE A 80 -9.207 -1.945 -5.071 1.00 1.28 H new ATOM 0 HZ PHE A 80 -9.948 -1.305 -2.900 1.00 1.31 H new ATOM 1156 N SER A 81 -14.471 -7.280 -4.250 1.00 0.50 N ATOM 1157 CA SER A 81 -15.247 -7.813 -3.149 1.00 0.55 C ATOM 1158 C SER A 81 -14.346 -8.008 -1.936 1.00 0.52 C ATOM 1159 O SER A 81 -13.298 -8.647 -2.034 1.00 0.54 O ATOM 1160 CB SER A 81 -15.898 -9.135 -3.558 1.00 0.69 C ATOM 1161 OG SER A 81 -14.930 -10.044 -4.055 1.00 1.17 O ATOM 0 H SER A 81 -14.060 -7.984 -4.863 1.00 0.50 H new ATOM 0 HA SER A 81 -16.037 -7.109 -2.888 1.00 0.55 H new ATOM 0 HB2 SER A 81 -16.408 -9.574 -2.701 1.00 0.69 H new ATOM 0 HB3 SER A 81 -16.655 -8.951 -4.320 1.00 0.69 H new ATOM 0 HG SER A 81 -14.049 -9.816 -3.690 1.00 1.17 H new ATOM 1167 N SER A 82 -14.749 -7.440 -0.807 1.00 0.59 N ATOM 1168 CA SER A 82 -13.968 -7.517 0.418 1.00 0.63 C ATOM 1169 C SER A 82 -13.697 -8.967 0.806 1.00 0.59 C ATOM 1170 O SER A 82 -14.625 -9.762 0.969 1.00 0.63 O ATOM 1171 CB SER A 82 -14.710 -6.798 1.538 1.00 0.77 C ATOM 1172 OG SER A 82 -15.057 -5.484 1.136 1.00 1.19 O ATOM 0 H SER A 82 -15.620 -6.917 -0.716 1.00 0.59 H new ATOM 0 HA SER A 82 -13.006 -7.033 0.250 1.00 0.63 H new ATOM 0 HB2 SER A 82 -15.610 -7.354 1.802 1.00 0.77 H new ATOM 0 HB3 SER A 82 -14.085 -6.759 2.430 1.00 0.77 H new ATOM 0 HG SER A 82 -15.785 -5.151 1.701 1.00 1.19 H new ATOM 1178 N GLY A 83 -12.426 -9.304 0.932 1.00 0.58 N ATOM 1179 CA GLY A 83 -12.040 -10.654 1.275 1.00 0.62 C ATOM 1180 C GLY A 83 -11.315 -11.330 0.135 1.00 0.64 C ATOM 1181 O GLY A 83 -11.023 -12.524 0.191 1.00 0.79 O ATOM 0 H GLY A 83 -11.646 -8.659 0.801 1.00 0.58 H new ATOM 0 HA2 GLY A 83 -11.399 -10.637 2.156 1.00 0.62 H new ATOM 0 HA3 GLY A 83 -12.927 -11.231 1.537 1.00 0.62 H new ATOM 1185 N GLU A 84 -11.026 -10.565 -0.910 1.00 0.58 N ATOM 1186 CA GLU A 84 -10.353 -11.105 -2.080 1.00 0.62 C ATOM 1187 C GLU A 84 -8.949 -10.509 -2.212 1.00 0.58 C ATOM 1188 O GLU A 84 -8.275 -10.687 -3.226 1.00 0.87 O ATOM 1189 CB GLU A 84 -11.187 -10.838 -3.342 1.00 0.73 C ATOM 1190 CG GLU A 84 -10.759 -11.667 -4.545 1.00 1.17 C ATOM 1191 CD GLU A 84 -11.605 -11.404 -5.773 1.00 1.26 C ATOM 1192 OE1 GLU A 84 -12.666 -12.047 -5.918 1.00 1.43 O ATOM 1193 OE2 GLU A 84 -11.205 -10.568 -6.607 1.00 1.55 O ATOM 0 H GLU A 84 -11.247 -9.571 -0.970 1.00 0.58 H new ATOM 0 HA GLU A 84 -10.250 -12.184 -1.961 1.00 0.62 H new ATOM 0 HB2 GLU A 84 -12.235 -11.044 -3.124 1.00 0.73 H new ATOM 0 HB3 GLU A 84 -11.116 -9.781 -3.597 1.00 0.73 H new ATOM 0 HG2 GLU A 84 -9.716 -11.451 -4.776 1.00 1.17 H new ATOM 0 HG3 GLU A 84 -10.817 -12.725 -4.290 1.00 1.17 H new ATOM 1200 N MET A 85 -8.502 -9.807 -1.176 1.00 0.47 N ATOM 1201 CA MET A 85 -7.167 -9.226 -1.187 1.00 0.44 C ATOM 1202 C MET A 85 -6.194 -10.102 -0.410 1.00 0.47 C ATOM 1203 O MET A 85 -5.833 -11.196 -0.850 1.00 0.73 O ATOM 1204 CB MET A 85 -7.177 -7.813 -0.597 1.00 0.39 C ATOM 1205 CG MET A 85 -7.850 -6.779 -1.478 1.00 0.37 C ATOM 1206 SD MET A 85 -7.000 -6.563 -3.053 1.00 0.39 S ATOM 1207 CE MET A 85 -8.002 -5.278 -3.793 1.00 0.39 C ATOM 0 H MET A 85 -9.039 -9.629 -0.327 1.00 0.47 H new ATOM 0 HA MET A 85 -6.840 -9.167 -2.225 1.00 0.44 H new ATOM 0 HB2 MET A 85 -7.683 -7.837 0.368 1.00 0.39 H new ATOM 0 HB3 MET A 85 -6.149 -7.502 -0.410 1.00 0.39 H new ATOM 0 HG2 MET A 85 -8.882 -7.079 -1.663 1.00 0.37 H new ATOM 0 HG3 MET A 85 -7.885 -5.825 -0.953 1.00 0.37 H new ATOM 0 HE1 MET A 85 -7.959 -5.363 -4.879 1.00 0.39 H new ATOM 0 HE2 MET A 85 -9.035 -5.385 -3.461 1.00 0.39 H new ATOM 0 HE3 MET A 85 -7.623 -4.302 -3.491 1.00 0.39 H new ATOM 1217 N MET A 86 -5.784 -9.615 0.749 1.00 0.33 N ATOM 1218 CA MET A 86 -4.934 -10.363 1.658 1.00 0.35 C ATOM 1219 C MET A 86 -5.500 -10.212 3.054 1.00 0.40 C ATOM 1220 O MET A 86 -6.107 -9.185 3.346 1.00 0.76 O ATOM 1221 CB MET A 86 -3.492 -9.843 1.638 1.00 0.33 C ATOM 1222 CG MET A 86 -2.836 -9.860 0.267 1.00 0.43 C ATOM 1223 SD MET A 86 -1.206 -9.086 0.267 1.00 1.16 S ATOM 1224 CE MET A 86 -0.728 -9.323 -1.444 1.00 1.39 C ATOM 0 H MET A 86 -6.033 -8.685 1.087 1.00 0.33 H new ATOM 0 HA MET A 86 -4.914 -11.408 1.348 1.00 0.35 H new ATOM 0 HB2 MET A 86 -3.482 -8.822 2.019 1.00 0.33 H new ATOM 0 HB3 MET A 86 -2.893 -10.444 2.321 1.00 0.33 H new ATOM 0 HG2 MET A 86 -2.744 -10.891 -0.075 1.00 0.43 H new ATOM 0 HG3 MET A 86 -3.479 -9.344 -0.446 1.00 0.43 H new ATOM 0 HE1 MET A 86 0.262 -8.897 -1.608 1.00 1.39 H new ATOM 0 HE2 MET A 86 -0.707 -10.389 -1.672 1.00 1.39 H new ATOM 0 HE3 MET A 86 -1.448 -8.827 -2.095 1.00 1.39 H new ATOM 1234 N LYS A 87 -5.308 -11.200 3.908 1.00 0.32 N ATOM 1235 CA LYS A 87 -5.911 -11.177 5.238 1.00 0.32 C ATOM 1236 C LYS A 87 -5.574 -9.892 6.016 1.00 0.27 C ATOM 1237 O LYS A 87 -6.487 -9.200 6.468 1.00 0.27 O ATOM 1238 CB LYS A 87 -5.510 -12.421 6.036 1.00 0.37 C ATOM 1239 CG LYS A 87 -6.013 -13.720 5.423 1.00 0.97 C ATOM 1240 CD LYS A 87 -7.535 -13.787 5.395 1.00 1.46 C ATOM 1241 CE LYS A 87 -8.125 -13.878 6.794 1.00 2.00 C ATOM 1242 NZ LYS A 87 -7.700 -15.118 7.493 1.00 2.37 N ATOM 0 H LYS A 87 -4.743 -12.026 3.711 1.00 0.32 H new ATOM 0 HA LYS A 87 -6.992 -11.185 5.098 1.00 0.32 H new ATOM 0 HB2 LYS A 87 -4.423 -12.460 6.112 1.00 0.37 H new ATOM 0 HB3 LYS A 87 -5.897 -12.333 7.051 1.00 0.37 H new ATOM 0 HG2 LYS A 87 -5.627 -13.815 4.408 1.00 0.97 H new ATOM 0 HG3 LYS A 87 -5.623 -14.564 5.992 1.00 0.97 H new ATOM 0 HD2 LYS A 87 -7.928 -12.903 4.892 1.00 1.46 H new ATOM 0 HD3 LYS A 87 -7.850 -14.652 4.811 1.00 1.46 H new ATOM 0 HE2 LYS A 87 -7.817 -13.009 7.376 1.00 2.00 H new ATOM 0 HE3 LYS A 87 -9.213 -13.850 6.732 1.00 2.00 H new ATOM 0 HZ1 LYS A 87 -8.307 -15.274 8.323 1.00 2.37 H new ATOM 0 HZ2 LYS A 87 -7.784 -15.928 6.846 1.00 2.37 H new ATOM 0 HZ3 LYS A 87 -6.711 -15.022 7.801 1.00 2.37 H new ATOM 1256 N PRO A 88 -4.280 -9.517 6.162 1.00 0.26 N ATOM 1257 CA PRO A 88 -3.908 -8.326 6.934 1.00 0.25 C ATOM 1258 C PRO A 88 -4.205 -7.033 6.177 1.00 0.22 C ATOM 1259 O PRO A 88 -4.421 -5.977 6.773 1.00 0.25 O ATOM 1260 CB PRO A 88 -2.406 -8.500 7.147 1.00 0.27 C ATOM 1261 CG PRO A 88 -1.941 -9.309 5.987 1.00 0.27 C ATOM 1262 CD PRO A 88 -3.092 -10.194 5.591 1.00 0.27 C ATOM 0 HA PRO A 88 -4.472 -8.243 7.863 1.00 0.25 H new ATOM 0 HB2 PRO A 88 -1.899 -7.536 7.184 1.00 0.27 H new ATOM 0 HB3 PRO A 88 -2.197 -9.006 8.090 1.00 0.27 H new ATOM 0 HG2 PRO A 88 -1.645 -8.665 5.159 1.00 0.27 H new ATOM 0 HG3 PRO A 88 -1.068 -9.905 6.255 1.00 0.27 H new ATOM 0 HD2 PRO A 88 -3.169 -10.288 4.508 1.00 0.27 H new ATOM 0 HD3 PRO A 88 -2.976 -11.201 5.991 1.00 0.27 H new ATOM 1270 N PHE A 89 -4.232 -7.139 4.857 1.00 0.19 N ATOM 1271 CA PHE A 89 -4.507 -6.003 3.985 1.00 0.17 C ATOM 1272 C PHE A 89 -5.986 -5.638 4.066 1.00 0.18 C ATOM 1273 O PHE A 89 -6.342 -4.510 4.398 1.00 0.17 O ATOM 1274 CB PHE A 89 -4.122 -6.390 2.549 1.00 0.19 C ATOM 1275 CG PHE A 89 -4.353 -5.337 1.497 1.00 0.18 C ATOM 1276 CD1 PHE A 89 -5.620 -5.116 0.978 1.00 0.22 C ATOM 1277 CD2 PHE A 89 -3.295 -4.593 1.003 1.00 0.19 C ATOM 1278 CE1 PHE A 89 -5.827 -4.170 -0.007 1.00 0.22 C ATOM 1279 CE2 PHE A 89 -3.496 -3.650 0.013 1.00 0.20 C ATOM 1280 CZ PHE A 89 -4.765 -3.437 -0.491 1.00 0.19 C ATOM 0 H PHE A 89 -4.064 -8.013 4.359 1.00 0.19 H new ATOM 0 HA PHE A 89 -3.926 -5.135 4.296 1.00 0.17 H new ATOM 0 HB2 PHE A 89 -3.066 -6.661 2.538 1.00 0.19 H new ATOM 0 HB3 PHE A 89 -4.683 -7.282 2.271 1.00 0.19 H new ATOM 0 HD1 PHE A 89 -6.456 -5.691 1.349 1.00 0.22 H new ATOM 0 HD2 PHE A 89 -2.301 -4.751 1.396 1.00 0.19 H new ATOM 0 HE1 PHE A 89 -6.820 -4.005 -0.398 1.00 0.22 H new ATOM 0 HE2 PHE A 89 -2.661 -3.079 -0.367 1.00 0.20 H new ATOM 0 HZ PHE A 89 -4.924 -2.698 -1.262 1.00 0.19 H new ATOM 1290 N GLU A 90 -6.829 -6.625 3.789 1.00 0.21 N ATOM 1291 CA GLU A 90 -8.278 -6.463 3.802 1.00 0.24 C ATOM 1292 C GLU A 90 -8.748 -6.043 5.188 1.00 0.25 C ATOM 1293 O GLU A 90 -9.676 -5.244 5.327 1.00 0.27 O ATOM 1294 CB GLU A 90 -8.933 -7.784 3.405 1.00 0.29 C ATOM 1295 CG GLU A 90 -10.371 -7.661 2.938 1.00 0.34 C ATOM 1296 CD GLU A 90 -10.503 -6.900 1.638 1.00 1.41 C ATOM 1297 OE1 GLU A 90 -10.424 -7.543 0.568 1.00 2.12 O ATOM 1298 OE2 GLU A 90 -10.715 -5.673 1.683 1.00 1.78 O ATOM 0 H GLU A 90 -6.524 -7.568 3.547 1.00 0.21 H new ATOM 0 HA GLU A 90 -8.562 -5.687 3.091 1.00 0.24 H new ATOM 0 HB2 GLU A 90 -8.344 -8.242 2.610 1.00 0.29 H new ATOM 0 HB3 GLU A 90 -8.899 -8.462 4.258 1.00 0.29 H new ATOM 0 HG2 GLU A 90 -10.794 -8.658 2.815 1.00 0.34 H new ATOM 0 HG3 GLU A 90 -10.957 -7.159 3.708 1.00 0.34 H new ATOM 1305 N ASP A 91 -8.084 -6.582 6.209 1.00 0.25 N ATOM 1306 CA ASP A 91 -8.380 -6.243 7.600 1.00 0.29 C ATOM 1307 C ASP A 91 -8.268 -4.741 7.835 1.00 0.25 C ATOM 1308 O ASP A 91 -9.008 -4.172 8.637 1.00 0.30 O ATOM 1309 CB ASP A 91 -7.440 -6.992 8.550 1.00 0.35 C ATOM 1310 CG ASP A 91 -7.622 -6.580 10.000 1.00 0.48 C ATOM 1311 OD1 ASP A 91 -8.677 -6.892 10.589 1.00 0.61 O ATOM 1312 OD2 ASP A 91 -6.702 -5.946 10.559 1.00 0.54 O ATOM 0 H ASP A 91 -7.331 -7.261 6.097 1.00 0.25 H new ATOM 0 HA ASP A 91 -9.406 -6.548 7.804 1.00 0.29 H new ATOM 0 HB2 ASP A 91 -7.614 -8.064 8.457 1.00 0.35 H new ATOM 0 HB3 ASP A 91 -6.408 -6.810 8.252 1.00 0.35 H new ATOM 1317 N ALA A 92 -7.358 -4.101 7.121 1.00 0.20 N ATOM 1318 CA ALA A 92 -7.175 -2.666 7.247 1.00 0.19 C ATOM 1319 C ALA A 92 -8.187 -1.908 6.394 1.00 0.18 C ATOM 1320 O ALA A 92 -8.564 -0.786 6.719 1.00 0.21 O ATOM 1321 CB ALA A 92 -5.758 -2.278 6.857 1.00 0.22 C ATOM 0 H ALA A 92 -6.736 -4.551 6.450 1.00 0.20 H new ATOM 0 HA ALA A 92 -7.340 -2.393 8.289 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -5.636 -1.199 6.956 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.049 -2.785 7.511 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -5.572 -2.571 5.824 1.00 0.22 H new ATOM 1327 N VAL A 93 -8.650 -2.542 5.319 1.00 0.18 N ATOM 1328 CA VAL A 93 -9.538 -1.888 4.363 1.00 0.19 C ATOM 1329 C VAL A 93 -10.905 -1.583 4.979 1.00 0.19 C ATOM 1330 O VAL A 93 -11.431 -0.485 4.818 1.00 0.20 O ATOM 1331 CB VAL A 93 -9.731 -2.731 3.084 1.00 0.21 C ATOM 1332 CG1 VAL A 93 -10.530 -1.951 2.055 1.00 0.25 C ATOM 1333 CG2 VAL A 93 -8.388 -3.160 2.510 1.00 0.21 C ATOM 0 H VAL A 93 -8.424 -3.510 5.089 1.00 0.18 H new ATOM 0 HA VAL A 93 -9.054 -0.950 4.092 1.00 0.19 H new ATOM 0 HB VAL A 93 -10.288 -3.631 3.346 1.00 0.21 H new ATOM 0 HG11 VAL A 93 -10.659 -2.557 1.158 1.00 0.25 H new ATOM 0 HG12 VAL A 93 -11.508 -1.701 2.467 1.00 0.25 H new ATOM 0 HG13 VAL A 93 -9.998 -1.034 1.800 1.00 0.25 H new ATOM 0 HG21 VAL A 93 -8.550 -3.753 1.610 1.00 0.21 H new ATOM 0 HG22 VAL A 93 -7.799 -2.277 2.262 1.00 0.21 H new ATOM 0 HG23 VAL A 93 -7.852 -3.758 3.247 1.00 0.21 H new ATOM 1343 N ARG A 94 -11.488 -2.543 5.691 1.00 0.23 N ATOM 1344 CA ARG A 94 -12.777 -2.301 6.337 1.00 0.27 C ATOM 1345 C ARG A 94 -12.577 -1.600 7.678 1.00 0.25 C ATOM 1346 O ARG A 94 -13.541 -1.252 8.362 1.00 0.32 O ATOM 1347 CB ARG A 94 -13.588 -3.595 6.530 1.00 0.41 C ATOM 1348 CG ARG A 94 -13.139 -4.474 7.692 1.00 0.59 C ATOM 1349 CD ARG A 94 -11.870 -5.231 7.367 1.00 1.03 C ATOM 1350 NE ARG A 94 -11.456 -6.112 8.454 1.00 0.98 N ATOM 1351 CZ ARG A 94 -11.446 -7.444 8.370 1.00 1.69 C ATOM 1352 NH1 ARG A 94 -11.933 -8.055 7.294 1.00 2.59 N ATOM 1353 NH2 ARG A 94 -10.961 -8.166 9.370 1.00 1.70 N ATOM 0 H ARG A 94 -11.101 -3.476 5.834 1.00 0.23 H new ATOM 0 HA ARG A 94 -13.351 -1.655 5.673 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -14.635 -3.330 6.679 1.00 0.41 H new ATOM 0 HB3 ARG A 94 -13.534 -4.179 5.611 1.00 0.41 H new ATOM 0 HG2 ARG A 94 -12.977 -3.855 8.574 1.00 0.59 H new ATOM 0 HG3 ARG A 94 -13.931 -5.181 7.940 1.00 0.59 H new ATOM 0 HD2 ARG A 94 -12.023 -5.820 6.463 1.00 1.03 H new ATOM 0 HD3 ARG A 94 -11.071 -4.521 7.153 1.00 1.03 H new ATOM 0 HE ARG A 94 -11.156 -5.684 9.330 1.00 0.98 H new ATOM 0 HH11 ARG A 94 -12.318 -7.505 6.526 1.00 2.59 H new ATOM 0 HH12 ARG A 94 -11.922 -9.073 7.237 1.00 2.59 H new ATOM 0 HH21 ARG A 94 -10.596 -7.704 10.203 1.00 1.70 H new ATOM 0 HH22 ARG A 94 -10.953 -9.184 9.307 1.00 1.70 H new ATOM 1367 N ALA A 95 -11.322 -1.384 8.044 1.00 0.23 N ATOM 1368 CA ALA A 95 -10.996 -0.712 9.293 1.00 0.25 C ATOM 1369 C ALA A 95 -10.983 0.798 9.094 1.00 0.26 C ATOM 1370 O ALA A 95 -10.779 1.563 10.036 1.00 0.47 O ATOM 1371 CB ALA A 95 -9.660 -1.198 9.824 1.00 0.26 C ATOM 0 H ALA A 95 -10.511 -1.665 7.492 1.00 0.23 H new ATOM 0 HA ALA A 95 -11.762 -0.953 10.030 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -9.432 -0.685 10.758 1.00 0.26 H new ATOM 0 HB2 ALA A 95 -9.708 -2.272 10.002 1.00 0.26 H new ATOM 0 HB3 ALA A 95 -8.879 -0.986 9.094 1.00 0.26 H new ATOM 1377 N LEU A 96 -11.203 1.214 7.857 1.00 0.19 N ATOM 1378 CA LEU A 96 -11.290 2.623 7.518 1.00 0.19 C ATOM 1379 C LEU A 96 -12.458 2.863 6.574 1.00 0.21 C ATOM 1380 O LEU A 96 -12.887 1.957 5.855 1.00 0.28 O ATOM 1381 CB LEU A 96 -9.972 3.111 6.899 1.00 0.28 C ATOM 1382 CG LEU A 96 -9.231 2.116 6.014 1.00 0.15 C ATOM 1383 CD1 LEU A 96 -9.787 2.141 4.607 1.00 0.27 C ATOM 1384 CD2 LEU A 96 -7.751 2.424 5.998 1.00 0.28 C ATOM 0 H LEU A 96 -11.326 0.586 7.063 1.00 0.19 H new ATOM 0 HA LEU A 96 -11.463 3.194 8.430 1.00 0.19 H new ATOM 0 HB2 LEU A 96 -10.181 4.003 6.309 1.00 0.28 H new ATOM 0 HB3 LEU A 96 -9.306 3.412 7.707 1.00 0.28 H new ATOM 0 HG LEU A 96 -9.374 1.117 6.426 1.00 0.15 H new ATOM 0 HD11 LEU A 96 -9.246 1.424 3.989 1.00 0.27 H new ATOM 0 HD12 LEU A 96 -10.844 1.876 4.629 1.00 0.27 H new ATOM 0 HD13 LEU A 96 -9.672 3.141 4.188 1.00 0.27 H new ATOM 0 HD21 LEU A 96 -7.236 1.704 5.361 1.00 0.28 H new ATOM 0 HD22 LEU A 96 -7.593 3.430 5.610 1.00 0.28 H new ATOM 0 HD23 LEU A 96 -7.355 2.360 7.012 1.00 0.28 H new ATOM 1396 N LYS A 97 -12.992 4.072 6.603 1.00 0.24 N ATOM 1397 CA LYS A 97 -14.100 4.433 5.739 1.00 0.31 C ATOM 1398 C LYS A 97 -13.574 5.269 4.573 1.00 0.28 C ATOM 1399 O LYS A 97 -12.371 5.515 4.480 1.00 0.25 O ATOM 1400 CB LYS A 97 -15.169 5.191 6.546 1.00 0.42 C ATOM 1401 CG LYS A 97 -16.520 5.327 5.850 1.00 0.62 C ATOM 1402 CD LYS A 97 -17.117 3.971 5.498 1.00 0.97 C ATOM 1403 CE LYS A 97 -18.420 4.108 4.723 1.00 1.02 C ATOM 1404 NZ LYS A 97 -19.472 4.819 5.500 1.00 1.61 N ATOM 0 H LYS A 97 -12.674 4.821 7.218 1.00 0.24 H new ATOM 0 HA LYS A 97 -14.569 3.536 5.334 1.00 0.31 H new ATOM 0 HB2 LYS A 97 -15.316 4.680 7.497 1.00 0.42 H new ATOM 0 HB3 LYS A 97 -14.792 6.188 6.775 1.00 0.42 H new ATOM 0 HG2 LYS A 97 -17.209 5.870 6.497 1.00 0.62 H new ATOM 0 HG3 LYS A 97 -16.403 5.919 4.942 1.00 0.62 H new ATOM 0 HD2 LYS A 97 -16.401 3.402 4.906 1.00 0.97 H new ATOM 0 HD3 LYS A 97 -17.296 3.405 6.412 1.00 0.97 H new ATOM 0 HE2 LYS A 97 -18.232 4.647 3.794 1.00 1.02 H new ATOM 0 HE3 LYS A 97 -18.782 3.117 4.449 1.00 1.02 H new ATOM 0 HZ1 LYS A 97 -20.372 4.783 4.980 1.00 1.61 H new ATOM 0 HZ2 LYS A 97 -19.589 4.361 6.426 1.00 1.61 H new ATOM 0 HZ3 LYS A 97 -19.191 5.811 5.638 1.00 1.61 H new ATOM 1418 N ILE A 98 -14.459 5.671 3.673 1.00 0.32 N ATOM 1419 CA ILE A 98 -14.079 6.480 2.523 1.00 0.32 C ATOM 1420 C ILE A 98 -13.342 7.748 2.958 1.00 0.32 C ATOM 1421 O ILE A 98 -13.901 8.602 3.650 1.00 0.37 O ATOM 1422 CB ILE A 98 -15.319 6.862 1.686 1.00 0.38 C ATOM 1423 CG1 ILE A 98 -16.018 5.597 1.179 1.00 0.41 C ATOM 1424 CG2 ILE A 98 -14.928 7.764 0.525 1.00 0.50 C ATOM 1425 CD1 ILE A 98 -17.262 5.866 0.357 1.00 0.90 C ATOM 0 H ILE A 98 -15.453 5.448 3.718 1.00 0.32 H new ATOM 0 HA ILE A 98 -13.407 5.879 1.910 1.00 0.32 H new ATOM 0 HB ILE A 98 -16.013 7.414 2.320 1.00 0.38 H new ATOM 0 HG12 ILE A 98 -15.314 5.023 0.576 1.00 0.41 H new ATOM 0 HG13 ILE A 98 -16.287 4.976 2.033 1.00 0.41 H new ATOM 0 HG21 ILE A 98 -15.817 8.021 -0.051 1.00 0.50 H new ATOM 0 HG22 ILE A 98 -14.469 8.675 0.910 1.00 0.50 H new ATOM 0 HG23 ILE A 98 -14.217 7.243 -0.117 1.00 0.50 H new ATOM 0 HD11 ILE A 98 -17.698 4.920 0.036 1.00 0.90 H new ATOM 0 HD12 ILE A 98 -17.986 6.412 0.961 1.00 0.90 H new ATOM 0 HD13 ILE A 98 -16.998 6.460 -0.518 1.00 0.90 H new ATOM 1437 N GLY A 99 -12.080 7.849 2.562 1.00 0.30 N ATOM 1438 CA GLY A 99 -11.282 9.008 2.902 1.00 0.32 C ATOM 1439 C GLY A 99 -10.279 8.733 4.006 1.00 0.32 C ATOM 1440 O GLY A 99 -9.446 9.585 4.318 1.00 0.46 O ATOM 0 H GLY A 99 -11.594 7.144 2.008 1.00 0.30 H new ATOM 0 HA2 GLY A 99 -10.751 9.350 2.014 1.00 0.32 H new ATOM 0 HA3 GLY A 99 -11.942 9.819 3.212 1.00 0.32 H new ATOM 1444 N ASP A 100 -10.343 7.545 4.593 1.00 0.21 N ATOM 1445 CA ASP A 100 -9.449 7.198 5.689 1.00 0.19 C ATOM 1446 C ASP A 100 -8.269 6.382 5.188 1.00 0.15 C ATOM 1447 O ASP A 100 -8.430 5.500 4.341 1.00 0.15 O ATOM 1448 CB ASP A 100 -10.192 6.414 6.773 1.00 0.22 C ATOM 1449 CG ASP A 100 -11.154 7.259 7.581 1.00 0.32 C ATOM 1450 OD1 ASP A 100 -10.689 8.153 8.318 1.00 0.46 O ATOM 1451 OD2 ASP A 100 -12.381 7.052 7.461 1.00 0.37 O ATOM 0 H ASP A 100 -11.000 6.810 4.331 1.00 0.21 H new ATOM 0 HA ASP A 100 -9.078 8.129 6.118 1.00 0.19 H new ATOM 0 HB2 ASP A 100 -10.743 5.598 6.306 1.00 0.22 H new ATOM 0 HB3 ASP A 100 -9.464 5.963 7.447 1.00 0.22 H new ATOM 1456 N ILE A 101 -7.087 6.685 5.711 1.00 0.18 N ATOM 1457 CA ILE A 101 -5.875 5.958 5.357 1.00 0.16 C ATOM 1458 C ILE A 101 -5.438 5.095 6.539 1.00 0.16 C ATOM 1459 O ILE A 101 -5.649 5.464 7.695 1.00 0.18 O ATOM 1460 CB ILE A 101 -4.716 6.915 4.995 1.00 0.19 C ATOM 1461 CG1 ILE A 101 -5.210 8.071 4.115 1.00 0.23 C ATOM 1462 CG2 ILE A 101 -3.605 6.151 4.283 1.00 0.19 C ATOM 1463 CD1 ILE A 101 -4.150 9.121 3.842 1.00 0.21 C ATOM 0 H ILE A 101 -6.942 7.435 6.387 1.00 0.18 H new ATOM 0 HA ILE A 101 -6.102 5.343 4.486 1.00 0.16 H new ATOM 0 HB ILE A 101 -4.322 7.336 5.920 1.00 0.19 H new ATOM 0 HG12 ILE A 101 -5.564 7.669 3.166 1.00 0.23 H new ATOM 0 HG13 ILE A 101 -6.064 8.546 4.598 1.00 0.23 H new ATOM 0 HG21 ILE A 101 -2.795 6.836 4.033 1.00 0.19 H new ATOM 0 HG22 ILE A 101 -3.227 5.365 4.937 1.00 0.19 H new ATOM 0 HG23 ILE A 101 -3.998 5.705 3.369 1.00 0.19 H new ATOM 0 HD11 ILE A 101 -4.570 9.907 3.214 1.00 0.21 H new ATOM 0 HD12 ILE A 101 -3.812 9.551 4.785 1.00 0.21 H new ATOM 0 HD13 ILE A 101 -3.305 8.660 3.330 1.00 0.21 H new ATOM 1475 N SER A 102 -4.840 3.952 6.255 1.00 0.16 N ATOM 1476 CA SER A 102 -4.389 3.043 7.295 1.00 0.19 C ATOM 1477 C SER A 102 -2.947 3.342 7.678 1.00 0.18 C ATOM 1478 O SER A 102 -2.207 3.962 6.909 1.00 0.22 O ATOM 1479 CB SER A 102 -4.499 1.595 6.806 1.00 0.25 C ATOM 1480 OG SER A 102 -3.609 1.347 5.730 1.00 0.92 O ATOM 0 H SER A 102 -4.654 3.629 5.306 1.00 0.16 H new ATOM 0 HA SER A 102 -5.022 3.181 8.172 1.00 0.19 H new ATOM 0 HB2 SER A 102 -4.279 0.913 7.628 1.00 0.25 H new ATOM 0 HB3 SER A 102 -5.522 1.392 6.489 1.00 0.25 H new ATOM 0 HG SER A 102 -3.091 0.536 5.914 1.00 0.92 H new ATOM 1486 N PRO A 103 -2.531 2.928 8.883 1.00 0.21 N ATOM 1487 CA PRO A 103 -1.128 2.967 9.278 1.00 0.23 C ATOM 1488 C PRO A 103 -0.339 1.851 8.599 1.00 0.20 C ATOM 1489 O PRO A 103 -0.917 1.039 7.870 1.00 0.27 O ATOM 1490 CB PRO A 103 -1.179 2.752 10.791 1.00 0.31 C ATOM 1491 CG PRO A 103 -2.417 1.957 11.013 1.00 0.34 C ATOM 1492 CD PRO A 103 -3.396 2.406 9.960 1.00 0.28 C ATOM 0 HA PRO A 103 -0.633 3.896 8.995 1.00 0.23 H new ATOM 0 HB2 PRO A 103 -0.297 2.220 11.146 1.00 0.31 H new ATOM 0 HB3 PRO A 103 -1.216 3.701 11.326 1.00 0.31 H new ATOM 0 HG2 PRO A 103 -2.215 0.889 10.928 1.00 0.34 H new ATOM 0 HG3 PRO A 103 -2.815 2.127 12.013 1.00 0.34 H new ATOM 0 HD2 PRO A 103 -4.017 1.581 9.611 1.00 0.28 H new ATOM 0 HD3 PRO A 103 -4.070 3.173 10.340 1.00 0.28 H new ATOM 1500 N ILE A 104 0.972 1.832 8.813 1.00 0.17 N ATOM 1501 CA ILE A 104 1.829 0.768 8.286 1.00 0.15 C ATOM 1502 C ILE A 104 1.258 -0.620 8.594 1.00 0.14 C ATOM 1503 O ILE A 104 1.187 -1.032 9.753 1.00 0.20 O ATOM 1504 CB ILE A 104 3.258 0.839 8.873 1.00 0.15 C ATOM 1505 CG1 ILE A 104 3.790 2.276 8.839 1.00 0.17 C ATOM 1506 CG2 ILE A 104 4.188 -0.098 8.111 1.00 0.15 C ATOM 1507 CD1 ILE A 104 3.783 2.899 7.462 1.00 0.17 C ATOM 0 H ILE A 104 1.469 2.543 9.350 1.00 0.17 H new ATOM 0 HA ILE A 104 1.868 0.921 7.207 1.00 0.15 H new ATOM 0 HB ILE A 104 3.220 0.519 9.914 1.00 0.15 H new ATOM 0 HG12 ILE A 104 3.189 2.891 9.509 1.00 0.17 H new ATOM 0 HG13 ILE A 104 4.809 2.285 9.226 1.00 0.17 H new ATOM 0 HG21 ILE A 104 5.191 -0.039 8.534 1.00 0.15 H new ATOM 0 HG22 ILE A 104 3.820 -1.121 8.192 1.00 0.15 H new ATOM 0 HG23 ILE A 104 4.219 0.194 7.061 1.00 0.15 H new ATOM 0 HD11 ILE A 104 4.173 3.915 7.520 1.00 0.17 H new ATOM 0 HD12 ILE A 104 4.408 2.308 6.792 1.00 0.17 H new ATOM 0 HD13 ILE A 104 2.763 2.924 7.079 1.00 0.17 H new ATOM 1519 N VAL A 105 0.841 -1.327 7.554 1.00 0.13 N ATOM 1520 CA VAL A 105 0.378 -2.700 7.696 1.00 0.15 C ATOM 1521 C VAL A 105 1.256 -3.637 6.871 1.00 0.15 C ATOM 1522 O VAL A 105 1.392 -3.477 5.656 1.00 0.17 O ATOM 1523 CB VAL A 105 -1.116 -2.855 7.288 1.00 0.21 C ATOM 1524 CG1 VAL A 105 -1.402 -2.189 5.954 1.00 1.04 C ATOM 1525 CG2 VAL A 105 -1.526 -4.323 7.237 1.00 1.04 C ATOM 0 H VAL A 105 0.814 -0.971 6.599 1.00 0.13 H new ATOM 0 HA VAL A 105 0.456 -2.969 8.749 1.00 0.15 H new ATOM 0 HB VAL A 105 -1.708 -2.355 8.054 1.00 0.21 H new ATOM 0 HG11 VAL A 105 -2.455 -2.318 5.701 1.00 1.04 H new ATOM 0 HG12 VAL A 105 -1.172 -1.126 6.022 1.00 1.04 H new ATOM 0 HG13 VAL A 105 -0.785 -2.645 5.180 1.00 1.04 H new ATOM 0 HG21 VAL A 105 -2.575 -4.398 6.949 1.00 1.04 H new ATOM 0 HG22 VAL A 105 -0.911 -4.847 6.506 1.00 1.04 H new ATOM 0 HG23 VAL A 105 -1.386 -4.774 8.219 1.00 1.04 H new ATOM 1535 N GLN A 106 1.879 -4.598 7.537 1.00 0.18 N ATOM 1536 CA GLN A 106 2.701 -5.572 6.847 1.00 0.20 C ATOM 1537 C GLN A 106 1.837 -6.712 6.336 1.00 0.23 C ATOM 1538 O GLN A 106 0.849 -7.097 6.964 1.00 0.29 O ATOM 1539 CB GLN A 106 3.801 -6.123 7.755 1.00 0.24 C ATOM 1540 CG GLN A 106 4.824 -5.086 8.188 1.00 0.25 C ATOM 1541 CD GLN A 106 6.005 -5.712 8.904 1.00 0.30 C ATOM 1542 OE1 GLN A 106 6.005 -5.845 10.128 1.00 0.55 O ATOM 1543 NE2 GLN A 106 7.017 -6.117 8.146 1.00 0.28 N ATOM 0 H GLN A 106 1.830 -4.721 8.548 1.00 0.18 H new ATOM 0 HA GLN A 106 3.179 -5.069 6.006 1.00 0.20 H new ATOM 0 HB2 GLN A 106 3.341 -6.557 8.643 1.00 0.24 H new ATOM 0 HB3 GLN A 106 4.316 -6.931 7.235 1.00 0.24 H new ATOM 0 HG2 GLN A 106 5.179 -4.541 7.313 1.00 0.25 H new ATOM 0 HG3 GLN A 106 4.346 -4.359 8.845 1.00 0.25 H new ATOM 0 HE21 GLN A 106 6.980 -5.989 7.135 1.00 0.28 H new ATOM 0 HE22 GLN A 106 7.832 -6.556 8.575 1.00 0.28 H new ATOM 1552 N THR A 107 2.214 -7.234 5.188 1.00 0.22 N ATOM 1553 CA THR A 107 1.461 -8.280 4.528 1.00 0.27 C ATOM 1554 C THR A 107 2.313 -9.526 4.341 1.00 0.34 C ATOM 1555 O THR A 107 3.426 -9.613 4.867 1.00 0.37 O ATOM 1556 CB THR A 107 0.950 -7.801 3.158 1.00 0.26 C ATOM 1557 OG1 THR A 107 1.988 -7.089 2.470 1.00 0.22 O ATOM 1558 CG2 THR A 107 -0.277 -6.914 3.314 1.00 0.27 C ATOM 0 H THR A 107 3.053 -6.945 4.685 1.00 0.22 H new ATOM 0 HA THR A 107 0.609 -8.524 5.163 1.00 0.27 H new ATOM 0 HB THR A 107 0.666 -8.676 2.573 1.00 0.26 H new ATOM 0 HG1 THR A 107 1.617 -6.274 2.072 1.00 0.22 H new ATOM 0 HG21 THR A 107 -0.618 -6.589 2.331 1.00 0.27 H new ATOM 0 HG22 THR A 107 -1.071 -7.475 3.807 1.00 0.27 H new ATOM 0 HG23 THR A 107 -0.021 -6.042 3.916 1.00 0.27 H new ATOM 1566 N ASP A 108 1.777 -10.486 3.600 1.00 0.40 N ATOM 1567 CA ASP A 108 2.497 -11.710 3.277 1.00 0.49 C ATOM 1568 C ASP A 108 3.835 -11.392 2.629 1.00 0.45 C ATOM 1569 O ASP A 108 4.866 -11.960 2.989 1.00 0.53 O ATOM 1570 CB ASP A 108 1.671 -12.568 2.323 1.00 0.60 C ATOM 1571 CG ASP A 108 0.317 -12.918 2.892 1.00 1.37 C ATOM 1572 OD1 ASP A 108 0.212 -13.936 3.604 1.00 2.16 O ATOM 1573 OD2 ASP A 108 -0.649 -12.178 2.626 1.00 1.67 O ATOM 0 H ASP A 108 0.837 -10.439 3.208 1.00 0.40 H new ATOM 0 HA ASP A 108 2.671 -12.255 4.205 1.00 0.49 H new ATOM 0 HB2 ASP A 108 1.540 -12.036 1.381 1.00 0.60 H new ATOM 0 HB3 ASP A 108 2.216 -13.485 2.098 1.00 0.60 H new ATOM 1578 N SER A 109 3.814 -10.468 1.682 1.00 0.39 N ATOM 1579 CA SER A 109 5.015 -10.122 0.950 1.00 0.43 C ATOM 1580 C SER A 109 5.726 -8.933 1.592 1.00 0.53 C ATOM 1581 O SER A 109 6.837 -9.085 2.080 1.00 1.09 O ATOM 1582 CB SER A 109 4.654 -9.823 -0.508 1.00 0.47 C ATOM 1583 OG SER A 109 5.809 -9.703 -1.317 1.00 0.60 O ATOM 0 H SER A 109 2.981 -9.948 1.405 1.00 0.39 H new ATOM 0 HA SER A 109 5.703 -10.967 0.980 1.00 0.43 H new ATOM 0 HB2 SER A 109 4.018 -10.619 -0.896 1.00 0.47 H new ATOM 0 HB3 SER A 109 4.076 -8.900 -0.558 1.00 0.47 H new ATOM 0 HG SER A 109 6.588 -10.038 -0.826 1.00 0.60 H new ATOM 1589 N GLY A 110 5.079 -7.776 1.676 1.00 0.22 N ATOM 1590 CA GLY A 110 5.793 -6.611 2.137 1.00 0.19 C ATOM 1591 C GLY A 110 4.945 -5.674 2.959 1.00 0.16 C ATOM 1592 O GLY A 110 4.183 -6.099 3.823 1.00 0.24 O ATOM 0 H GLY A 110 4.098 -7.629 1.439 1.00 0.22 H new ATOM 0 HA2 GLY A 110 6.649 -6.931 2.732 1.00 0.19 H new ATOM 0 HA3 GLY A 110 6.187 -6.071 1.276 1.00 0.19 H new ATOM 1596 N LEU A 111 5.065 -4.402 2.658 1.00 0.12 N ATOM 1597 CA LEU A 111 4.446 -3.344 3.450 1.00 0.11 C ATOM 1598 C LEU A 111 3.357 -2.639 2.664 1.00 0.11 C ATOM 1599 O LEU A 111 3.459 -2.496 1.446 1.00 0.13 O ATOM 1600 CB LEU A 111 5.499 -2.322 3.875 1.00 0.12 C ATOM 1601 CG LEU A 111 6.069 -2.495 5.283 1.00 0.14 C ATOM 1602 CD1 LEU A 111 6.689 -3.873 5.462 1.00 0.15 C ATOM 1603 CD2 LEU A 111 7.094 -1.409 5.553 1.00 0.19 C ATOM 0 H LEU A 111 5.595 -4.062 1.856 1.00 0.12 H new ATOM 0 HA LEU A 111 4.000 -3.805 4.332 1.00 0.11 H new ATOM 0 HB2 LEU A 111 6.323 -2.361 3.163 1.00 0.12 H new ATOM 0 HB3 LEU A 111 5.061 -1.326 3.801 1.00 0.12 H new ATOM 0 HG LEU A 111 5.254 -2.407 6.001 1.00 0.14 H new ATOM 0 HD11 LEU A 111 7.085 -3.965 6.473 1.00 0.15 H new ATOM 0 HD12 LEU A 111 5.930 -4.638 5.299 1.00 0.15 H new ATOM 0 HD13 LEU A 111 7.497 -4.005 4.742 1.00 0.15 H new ATOM 0 HD21 LEU A 111 7.500 -1.533 6.557 1.00 0.19 H new ATOM 0 HD22 LEU A 111 7.901 -1.481 4.824 1.00 0.19 H new ATOM 0 HD23 LEU A 111 6.618 -0.432 5.472 1.00 0.19 H new ATOM 1615 N HIS A 112 2.315 -2.204 3.357 1.00 0.11 N ATOM 1616 CA HIS A 112 1.216 -1.501 2.712 1.00 0.12 C ATOM 1617 C HIS A 112 0.652 -0.389 3.576 1.00 0.14 C ATOM 1618 O HIS A 112 0.752 -0.415 4.803 1.00 0.22 O ATOM 1619 CB HIS A 112 0.067 -2.455 2.379 1.00 0.14 C ATOM 1620 CG HIS A 112 0.326 -3.371 1.234 1.00 0.16 C ATOM 1621 ND1 HIS A 112 0.873 -4.601 1.198 1.00 0.19 N flip ATOM 1622 CD2 HIS A 112 -0.037 -3.074 -0.059 1.00 0.18 C flip ATOM 1623 CE1 HIS A 112 0.823 -5.033 -0.104 1.00 0.22 C flip ATOM 1624 NE2 HIS A 112 0.272 -4.089 -0.842 1.00 0.21 N flip ATOM 0 H HIS A 112 2.207 -2.325 4.364 1.00 0.11 H new ATOM 0 HA HIS A 112 1.637 -1.073 1.802 1.00 0.12 H new ATOM 0 HB2 HIS A 112 -0.156 -3.054 3.262 1.00 0.14 H new ATOM 0 HB3 HIS A 112 -0.824 -1.866 2.160 1.00 0.14 H new ATOM 0 HD2 HIS A 112 -0.502 -2.154 -0.382 1.00 0.18 H new ATOM 0 HE1 HIS A 112 1.176 -5.988 -0.464 1.00 0.22 H new ATOM 0 HE2 HIS A 112 0.112 -4.136 -1.848 1.00 0.21 H new ATOM 1633 N ILE A 113 0.099 0.601 2.902 1.00 0.12 N ATOM 1634 CA ILE A 113 -0.878 1.496 3.484 1.00 0.13 C ATOM 1635 C ILE A 113 -2.042 1.589 2.514 1.00 0.12 C ATOM 1636 O ILE A 113 -1.829 1.642 1.298 1.00 0.14 O ATOM 1637 CB ILE A 113 -0.323 2.908 3.755 1.00 0.14 C ATOM 1638 CG1 ILE A 113 0.471 3.401 2.546 1.00 0.15 C ATOM 1639 CG2 ILE A 113 0.537 2.905 5.009 1.00 0.15 C ATOM 1640 CD1 ILE A 113 0.484 4.899 2.390 1.00 0.17 C ATOM 0 H ILE A 113 0.318 0.807 1.927 1.00 0.12 H new ATOM 0 HA ILE A 113 -1.178 1.094 4.452 1.00 0.13 H new ATOM 0 HB ILE A 113 -1.156 3.592 3.918 1.00 0.14 H new ATOM 0 HG12 ILE A 113 1.498 3.046 2.630 1.00 0.15 H new ATOM 0 HG13 ILE A 113 0.052 2.956 1.643 1.00 0.15 H new ATOM 0 HG21 ILE A 113 0.922 3.909 5.188 1.00 0.15 H new ATOM 0 HG22 ILE A 113 -0.064 2.589 5.862 1.00 0.15 H new ATOM 0 HG23 ILE A 113 1.370 2.215 4.877 1.00 0.15 H new ATOM 0 HD11 ILE A 113 1.068 5.168 1.510 1.00 0.17 H new ATOM 0 HD12 ILE A 113 -0.537 5.261 2.273 1.00 0.17 H new ATOM 0 HD13 ILE A 113 0.931 5.353 3.274 1.00 0.17 H new ATOM 1652 N ILE A 114 -3.256 1.554 3.023 1.00 0.11 N ATOM 1653 CA ILE A 114 -4.422 1.567 2.162 1.00 0.11 C ATOM 1654 C ILE A 114 -5.379 2.671 2.588 1.00 0.11 C ATOM 1655 O ILE A 114 -5.502 2.971 3.771 1.00 0.12 O ATOM 1656 CB ILE A 114 -5.179 0.212 2.171 1.00 0.12 C ATOM 1657 CG1 ILE A 114 -4.214 -0.978 2.127 1.00 0.15 C ATOM 1658 CG2 ILE A 114 -6.131 0.136 0.989 1.00 0.12 C ATOM 1659 CD1 ILE A 114 -3.881 -1.551 3.489 1.00 0.18 C ATOM 0 H ILE A 114 -3.461 1.517 4.021 1.00 0.11 H new ATOM 0 HA ILE A 114 -4.063 1.747 1.149 1.00 0.11 H new ATOM 0 HB ILE A 114 -5.742 0.159 3.103 1.00 0.12 H new ATOM 0 HG12 ILE A 114 -4.650 -1.764 1.510 1.00 0.15 H new ATOM 0 HG13 ILE A 114 -3.290 -0.666 1.640 1.00 0.15 H new ATOM 0 HG21 ILE A 114 -6.656 -0.819 1.006 1.00 0.12 H new ATOM 0 HG22 ILE A 114 -6.854 0.949 1.051 1.00 0.12 H new ATOM 0 HG23 ILE A 114 -5.566 0.223 0.061 1.00 0.12 H new ATOM 0 HD11 ILE A 114 -3.194 -2.389 3.373 1.00 0.18 H new ATOM 0 HD12 ILE A 114 -3.414 -0.781 4.103 1.00 0.18 H new ATOM 0 HD13 ILE A 114 -4.795 -1.896 3.972 1.00 0.18 H new ATOM 1671 N LYS A 115 -6.028 3.291 1.619 1.00 0.13 N ATOM 1672 CA LYS A 115 -7.064 4.270 1.899 1.00 0.14 C ATOM 1673 C LYS A 115 -8.321 3.900 1.121 1.00 0.15 C ATOM 1674 O LYS A 115 -8.247 3.514 -0.047 1.00 0.16 O ATOM 1675 CB LYS A 115 -6.606 5.684 1.527 1.00 0.16 C ATOM 1676 CG LYS A 115 -6.510 5.918 0.031 1.00 0.22 C ATOM 1677 CD LYS A 115 -6.265 7.375 -0.301 1.00 0.24 C ATOM 1678 CE LYS A 115 -6.523 7.651 -1.775 1.00 0.35 C ATOM 1679 NZ LYS A 115 -6.323 9.082 -2.124 1.00 0.61 N ATOM 0 H LYS A 115 -5.855 3.133 0.626 1.00 0.13 H new ATOM 0 HA LYS A 115 -7.276 4.263 2.968 1.00 0.14 H new ATOM 0 HB2 LYS A 115 -7.301 6.406 1.955 1.00 0.16 H new ATOM 0 HB3 LYS A 115 -5.632 5.872 1.979 1.00 0.16 H new ATOM 0 HG2 LYS A 115 -5.702 5.312 -0.380 1.00 0.22 H new ATOM 0 HG3 LYS A 115 -7.432 5.587 -0.448 1.00 0.22 H new ATOM 0 HD2 LYS A 115 -6.913 8.004 0.309 1.00 0.24 H new ATOM 0 HD3 LYS A 115 -5.237 7.640 -0.052 1.00 0.24 H new ATOM 0 HE2 LYS A 115 -5.857 7.035 -2.380 1.00 0.35 H new ATOM 0 HE3 LYS A 115 -7.543 7.357 -2.024 1.00 0.35 H new ATOM 0 HZ1 LYS A 115 -6.510 9.222 -3.137 1.00 0.61 H new ATOM 0 HZ2 LYS A 115 -6.976 9.670 -1.567 1.00 0.61 H new ATOM 0 HZ3 LYS A 115 -5.343 9.357 -1.912 1.00 0.61 H new ATOM 1693 N ARG A 116 -9.466 4.003 1.764 1.00 0.15 N ATOM 1694 CA ARG A 116 -10.715 3.585 1.145 1.00 0.17 C ATOM 1695 C ARG A 116 -11.312 4.698 0.294 1.00 0.19 C ATOM 1696 O ARG A 116 -11.495 5.822 0.759 1.00 0.22 O ATOM 1697 CB ARG A 116 -11.691 3.139 2.226 1.00 0.21 C ATOM 1698 CG ARG A 116 -13.043 2.677 1.725 1.00 0.28 C ATOM 1699 CD ARG A 116 -13.806 2.011 2.851 1.00 0.49 C ATOM 1700 NE ARG A 116 -15.063 1.416 2.415 1.00 0.79 N ATOM 1701 CZ ARG A 116 -15.753 0.549 3.150 1.00 0.88 C ATOM 1702 NH1 ARG A 116 -15.330 0.226 4.367 1.00 0.97 N ATOM 1703 NH2 ARG A 116 -16.866 0.012 2.678 1.00 1.87 N ATOM 0 H ARG A 116 -9.562 4.370 2.711 1.00 0.15 H new ATOM 0 HA ARG A 116 -10.513 2.746 0.479 1.00 0.17 H new ATOM 0 HB2 ARG A 116 -11.235 2.327 2.792 1.00 0.21 H new ATOM 0 HB3 ARG A 116 -11.842 3.966 2.920 1.00 0.21 H new ATOM 0 HG2 ARG A 116 -13.609 3.526 1.342 1.00 0.28 H new ATOM 0 HG3 ARG A 116 -12.916 1.980 0.897 1.00 0.28 H new ATOM 0 HD2 ARG A 116 -13.181 1.238 3.298 1.00 0.49 H new ATOM 0 HD3 ARG A 116 -14.010 2.747 3.629 1.00 0.49 H new ATOM 0 HE ARG A 116 -15.432 1.678 1.501 1.00 0.79 H new ATOM 0 HH11 ARG A 116 -14.476 0.643 4.738 1.00 0.97 H new ATOM 0 HH12 ARG A 116 -15.859 -0.439 4.931 1.00 0.97 H new ATOM 0 HH21 ARG A 116 -17.198 0.263 1.747 1.00 1.87 H new ATOM 0 HH22 ARG A 116 -17.392 -0.653 3.245 1.00 1.87 H new ATOM 1717 N LEU A 117 -11.599 4.370 -0.960 1.00 0.22 N ATOM 1718 CA LEU A 117 -12.209 5.309 -1.892 1.00 0.27 C ATOM 1719 C LEU A 117 -13.715 5.098 -1.957 1.00 0.29 C ATOM 1720 O LEU A 117 -14.474 6.043 -2.159 1.00 0.37 O ATOM 1721 CB LEU A 117 -11.625 5.147 -3.301 1.00 0.32 C ATOM 1722 CG LEU A 117 -10.289 5.832 -3.581 1.00 0.39 C ATOM 1723 CD1 LEU A 117 -10.151 7.101 -2.777 1.00 0.89 C ATOM 1724 CD2 LEU A 117 -9.139 4.893 -3.302 1.00 0.80 C ATOM 0 H LEU A 117 -11.416 3.449 -1.358 1.00 0.22 H new ATOM 0 HA LEU A 117 -11.994 6.314 -1.528 1.00 0.27 H new ATOM 0 HB2 LEU A 117 -11.507 4.082 -3.498 1.00 0.32 H new ATOM 0 HB3 LEU A 117 -12.356 5.525 -4.016 1.00 0.32 H new ATOM 0 HG LEU A 117 -10.263 6.100 -4.637 1.00 0.39 H new ATOM 0 HD11 LEU A 117 -9.191 7.568 -2.996 1.00 0.89 H new ATOM 0 HD12 LEU A 117 -10.956 7.787 -3.039 1.00 0.89 H new ATOM 0 HD13 LEU A 117 -10.206 6.866 -1.714 1.00 0.89 H new ATOM 0 HD21 LEU A 117 -8.197 5.401 -3.508 1.00 0.80 H new ATOM 0 HD22 LEU A 117 -9.165 4.586 -2.256 1.00 0.80 H new ATOM 0 HD23 LEU A 117 -9.224 4.014 -3.940 1.00 0.80 H new ATOM 1736 N ALA A 118 -14.138 3.849 -1.809 1.00 0.26 N ATOM 1737 CA ALA A 118 -15.551 3.509 -1.858 1.00 0.30 C ATOM 1738 C ALA A 118 -15.829 2.251 -1.048 1.00 0.30 C ATOM 1739 O ALA A 118 -15.775 1.145 -1.621 1.00 1.10 O ATOM 1740 CB ALA A 118 -16.008 3.328 -3.300 1.00 0.39 C ATOM 1741 OXT ALA A 118 -16.092 2.371 0.163 1.00 1.09 O ATOM 0 H ALA A 118 -13.519 3.053 -1.654 1.00 0.26 H new ATOM 0 HA ALA A 118 -16.116 4.331 -1.418 1.00 0.30 H new ATOM 0 HB1 ALA A 118 -17.068 3.074 -3.317 1.00 0.39 H new ATOM 0 HB2 ALA A 118 -15.848 4.255 -3.851 1.00 0.39 H new ATOM 0 HB3 ALA A 118 -15.435 2.526 -3.765 1.00 0.39 H new